<?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">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-03-23T07:43:00.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">13.668515302</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">18.83259964</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>
               <atomArray>
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                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.61094057"
                        zFract="0.08554"/>
                  <atom elementType="Au"
                        id="a2"
                        x3="11.39042951"
                        xFract="0.83333334"
                        y3="4.55617172"
                        yFract="0.33333333"
                        z3="1.61094057"
                        zFract="0.08554"/>
                  <atom elementType="Au"
                        id="a3"
                        x3="11.39042951"
                        xFract="0.83333334"
                        y3="9.11234358"
                        yFract="0.66666667"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        id="a4"
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                        xFract="0.00000001"
                        y3="11.39042937"
                        yFract="0.83333333"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        id="a5"
                        x3="0.00000014"
                        xFract="0.00000001"
                        y3="2.27808593"
                        yFract="0.16666667"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        id="a6"
                        x3="0.00000014"
                        xFract="0.00000001"
                        y3="6.83425765"
                        yFract="0.5000"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        xFract="0.16666668"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        id="a8"
                        x3="2.27808607"
                        xFract="0.16666668"
                        y3="4.55617172"
                        yFract="0.33333333"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        id="a9"
                        x3="2.27808607"
                        xFract="0.16666668"
                        y3="9.11234358"
                        yFract="0.66666667"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        xFract="0.33333334"
                        y3="11.39042937"
                        yFract="0.83333333"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        xFract="0.33333334"
                        y3="2.27808593"
                        yFract="0.16666667"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        xFract="0.33333334"
                        y3="6.83425765"
                        yFract="0.5000"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        id="a14"
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                        xFract="0.50000001"
                        y3="4.55617172"
                        yFract="0.33333333"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        yFract="0.66666667"
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                        zFract="0.08554"/>
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                        xFract="0.66666668"
                        y3="11.39042937"
                        yFract="0.83333333"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        id="a17"
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                        xFract="0.66666668"
                        y3="2.27808593"
                        yFract="0.16666667"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        id="a18"
                        x3="9.11234372"
                        xFract="0.66666668"
                        y3="6.83425765"
                        yFract="0.5000"
                        z3="1.61094057"
                        zFract="0.08554"/>
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                        id="a19"
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                        xFract="0.83196458"
                        y3="0.00522752"
                        yFract="0.00038245"
                        z3="4.75242987"
                        zFract="0.25235124"/>
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                        id="a20"
                        x3="11.39798177"
                        xFract="0.83388587"
                        y3="4.5483044"
                        yFract="0.33275775"
                        z3="4.76435241"
                        zFract="0.25298432"/>
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                        id="a21"
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                        xFract="0.83601375"
                        y3="9.13069602"
                        yFract="0.66800935"
                        z3="4.75357169"
                        zFract="0.25241187"/>
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                        id="a22"
                        x3="0.0027661"
                        xFract="0.00020237"
                        y3="11.37207215"
                        yFract="0.8319903"
                        z3="4.75186207"
                        zFract="0.25232109"/>
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                        id="a23"
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                        xFract="0.99959505"
                        y3="2.28301398"
                        yFract="0.16702721"
                        z3="4.75569262"
                        zFract="0.25252449"/>
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                        id="a24"
                        x3="0.0019669"
                        xFract="0.0001439"
                        y3="6.83161566"
                        yFract="0.49980671"
                        z3="4.75683293"
                        zFract="0.25258504"/>
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                        id="a25"
                        x3="2.28269687"
                        xFract="0.16700401"
                        y3="13.66391393"
                        yFract="0.99966336"
                        z3="4.7562333"
                        zFract="0.2525532"/>
                  <atom elementType="Au"
                        id="a26"
                        x3="2.2731084"
                        xFract="0.16630251"
                        y3="4.57464909"
                        yFract="0.33468515"
                        z3="4.7524504"
                        zFract="0.25235233"/>
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                        id="a27"
                        x3="2.28210803"
                        xFract="0.16696093"
                        y3="9.11383359"
                        yFract="0.66677568"
                        z3="4.75474364"
                        zFract="0.2524741"/>
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                        xFract="0.33252308"
                        y3="11.40188755"
                        yFract="0.83417162"
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                        zFract="0.25240313"/>
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                        zFract="0.25247605"/>
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                        zFract="0.25483353"/>
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                        yFract="0.83333333"
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                  <bond atomRefs2="a6 a45" order="S"/>
                  <bond atomRefs2="a6 a63" order="S"/>
                  <bond atomRefs2="a6 a60" order="S"/>
                  <bond atomRefs2="a7 a40" order="S"/>
                  <bond atomRefs2="a7 a44" order="S"/>
                  <bond atomRefs2="a7 a46" order="S"/>
                  <bond atomRefs2="a7 a62" order="S"/>
                  <bond atomRefs2="a8 a41" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a8 a47" order="S"/>
                  <bond atomRefs2="a8 a62" order="S"/>
                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a8 a65" order="S"/>
                  <bond atomRefs2="a9 a66" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a9 a43" order="S"/>
                  <bond atomRefs2="a9 a48" order="S"/>
                  <bond atomRefs2="a9 a61" order="S"/>
                  <bond atomRefs2="a9 a60" order="S"/>
                  <bond atomRefs2="a9 a63" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a48" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a10 a67" order="S"/>
                  <bond atomRefs2="a10 a66" order="S"/>
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                  <bond atomRefs2="a10 a64" order="S"/>
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                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a11 a62" order="S"/>
                  <bond atomRefs2="a11 a68" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a12 a66" order="S"/>
                  <bond atomRefs2="a12 a47" order="S"/>
                  <bond atomRefs2="a12 a48" order="S"/>
                  <bond atomRefs2="a12 a45" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a12 a69" order="S"/>
                  <bond atomRefs2="a12 a63" order="S"/>
                  <bond atomRefs2="a12 a65" order="S"/>
                  <bond atomRefs2="a13 a46" order="S"/>
                  <bond atomRefs2="a13 a50" order="S"/>
                  <bond atomRefs2="a13 a52" order="S"/>
                  <bond atomRefs2="a13 a68" order="S"/>
                  <bond atomRefs2="a13 a70" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a71" order="S"/>
                  <bond atomRefs2="a14 a68" order="S"/>
                  <bond atomRefs2="a14 a69" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a15 a48" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a15 a49" order="S"/>
                  <bond atomRefs2="a15 a54" order="S"/>
                  <bond atomRefs2="a15 a69" order="S"/>
                  <bond atomRefs2="a15 a72" order="S"/>
                  <bond atomRefs2="a15 a66" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a16 a67" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a37" order="S"/>
                  <bond atomRefs2="a16 a72" order="S"/>
                  <bond atomRefs2="a16 a55" order="S"/>
                  <bond atomRefs2="a17 a71" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a17 a52" order="S"/>
                  <bond atomRefs2="a17 a53" order="S"/>
                  <bond atomRefs2="a17 a38" order="S"/>
                  <bond atomRefs2="a17 a56" order="S"/>
                  <bond atomRefs2="a17 a70" order="S"/>
                  <bond atomRefs2="a17 a68" order="S"/>
                  <bond atomRefs2="a18 a51" order="S"/>
                  <bond atomRefs2="a18 a53" order="S"/>
                  <bond atomRefs2="a18 a54" order="S"/>
                  <bond atomRefs2="a18 a39" order="S"/>
                  <bond atomRefs2="a18 a69" order="S"/>
                  <bond atomRefs2="a18 a72" order="S"/>
                  <bond atomRefs2="a18 a57" order="S"/>
                  <bond atomRefs2="a18 a71" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a56" order="S"/>
                  <bond atomRefs2="a20 a59" order="S"/>
                  <bond atomRefs2="a20 a56" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a20 a71" order="S"/>
                  <bond atomRefs2="a21 a57" order="S"/>
                  <bond atomRefs2="a21 a72" order="S"/>
                  <bond atomRefs2="a21 a55" order="S"/>
                  <bond atomRefs2="a22 a60" order="S"/>
                  <bond atomRefs2="a22 a61" order="S"/>
                  <bond atomRefs2="a23 a59" order="S"/>
                  <bond atomRefs2="a23 a56" order="S"/>
                  <bond atomRefs2="a24 a60" order="S"/>
                  <bond atomRefs2="a24 a63" order="S"/>
                  <bond atomRefs2="a25 a61" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a26 a65" order="S"/>
                  <bond atomRefs2="a26 a62" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a27 a66" order="S"/>
                  <bond atomRefs2="a27 a60" order="S"/>
                  <bond atomRefs2="a27 a63" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a66" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a29 a62" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a68" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a30 a69" order="S"/>
                  <bond atomRefs2="a30 a65" order="S"/>
                  <bond atomRefs2="a30 a63" order="S"/>
                  <bond atomRefs2="a31 a67" order="S"/>
                  <bond atomRefs2="a31 a64" order="S"/>
                  <bond atomRefs2="a32 a71" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a65" order="S"/>
                  <bond atomRefs2="a32 a68" order="S"/>
                  <bond atomRefs2="a33 a72" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a67" order="S"/>
                  <bond atomRefs2="a33 a66" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a34 a67" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a35 a71" order="S"/>
                  <bond atomRefs2="a35 a70" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a35 a56" order="S"/>
                  <bond atomRefs2="a36 a72" order="S"/>
                  <bond atomRefs2="a36 a69" order="S"/>
                  <bond atomRefs2="a36 a57" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a73 a74" order="S"/>
               </bondArray>
               <formula concise="CAu36OPd36">
                  <atomArray count="1 36 1 36" elementType="C Au O Pd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">10949.925900000006</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/CO.36Au.36Pd/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:73,74;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/CRV:1.1,2.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:74AuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdC3O1/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s3s16;s1s2s17;s2s3s18;s5s7;s5s6s8;s4s6s9;s4s9s10;s5s7s8s11;s6s8s9s12;s7s11s13;s8s11s12s14;s9s10s12s15;s10s15s16;s11s13s14s17;s12s14s15s18;s1s13s17;s2s14s17s18;s3s15s16s18;s3s16s21s34;s1s2s17s19s20s23s35;s2s3s18s20s21s36;;s2s20s23;s4s6s9s22s24s27;s4s9s10s22s25s27s28;s5s7s8s11s26s29;s6s8s9s12s24s26s27s30;s10s25s28s31;s8s11s12s14s26s29s30s32;s9s10s12s15s27s28s30s33;s10s15s16s28s31s33s34;s11s13s14s17s29s32s35;s12s14s15s18s30s32s33s36;s1s13s17s19s35;s2s14s17s18s20s32s35s36;s3s15s16s18s21s33s34s36;s33s36;s73;/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">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.5E-02</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.2500</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">766.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</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>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</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="4">PAW_PBE Au 04Oct2007|PAW_PBE Pd 04Jan2005|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Au Pd C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">196.97106 .42 12.01 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.00 10.00 4.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">36 36 1 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">2 2 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</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="4">1 2 3 4</array>
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                  <bond atomRefs2="a13 a68" order="S"/>
                  <bond atomRefs2="a13 a70" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a53" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a71" order="S"/>
                  <bond atomRefs2="a14 a68" order="S"/>
                  <bond atomRefs2="a14 a69" order="S"/>
                  <bond atomRefs2="a14 a65" order="S"/>
                  <bond atomRefs2="a15 a49" order="S"/>
                  <bond atomRefs2="a15 a48" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a15 a54" order="S"/>
                  <bond atomRefs2="a15 a69" order="S"/>
                  <bond atomRefs2="a15 a72" order="S"/>
                  <bond atomRefs2="a15 a66" order="S"/>
                  <bond atomRefs2="a15 a67" order="S"/>
                  <bond atomRefs2="a16 a67" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a37" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a16 a72" order="S"/>
                  <bond atomRefs2="a16 a55" order="S"/>
                  <bond atomRefs2="a17 a71" order="S"/>
                  <bond atomRefs2="a17 a38" order="S"/>
                  <bond atomRefs2="a17 a52" order="S"/>
                  <bond atomRefs2="a17 a50" order="S"/>
                  <bond atomRefs2="a17 a53" order="S"/>
                  <bond atomRefs2="a17 a56" order="S"/>
                  <bond atomRefs2="a17 a70" order="S"/>
                  <bond atomRefs2="a17 a68" order="S"/>
                  <bond atomRefs2="a18 a39" order="S"/>
                  <bond atomRefs2="a18 a53" order="S"/>
                  <bond atomRefs2="a18 a51" order="S"/>
                  <bond atomRefs2="a18 a54" order="S"/>
                  <bond atomRefs2="a18 a69" order="S"/>
                  <bond atomRefs2="a18 a72" order="S"/>
                  <bond atomRefs2="a18 a57" order="S"/>
                  <bond atomRefs2="a18 a71" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a56" order="S"/>
                  <bond atomRefs2="a20 a59" order="S"/>
                  <bond atomRefs2="a20 a56" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a20 a71" order="S"/>
                  <bond atomRefs2="a21 a57" order="S"/>
                  <bond atomRefs2="a21 a72" order="S"/>
                  <bond atomRefs2="a21 a55" order="S"/>
                  <bond atomRefs2="a22 a60" order="S"/>
                  <bond atomRefs2="a22 a61" order="S"/>
                  <bond atomRefs2="a23 a59" order="S"/>
                  <bond atomRefs2="a23 a56" order="S"/>
                  <bond atomRefs2="a24 a60" order="S"/>
                  <bond atomRefs2="a24 a63" order="S"/>
                  <bond atomRefs2="a25 a61" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a26 a65" order="S"/>
                  <bond atomRefs2="a26 a62" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a27 a66" order="S"/>
                  <bond atomRefs2="a27 a60" order="S"/>
                  <bond atomRefs2="a27 a63" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a28 a66" order="S"/>
                  <bond atomRefs2="a28 a67" order="S"/>
                  <bond atomRefs2="a29 a62" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a68" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a30 a69" order="S"/>
                  <bond atomRefs2="a30 a65" order="S"/>
                  <bond atomRefs2="a30 a63" order="S"/>
                  <bond atomRefs2="a31 a67" order="S"/>
                  <bond atomRefs2="a31 a64" order="S"/>
                  <bond atomRefs2="a32 a71" order="S"/>
                  <bond atomRefs2="a32 a69" order="S"/>
                  <bond atomRefs2="a32 a65" order="S"/>
                  <bond atomRefs2="a32 a68" order="S"/>
                  <bond atomRefs2="a33 a72" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a67" order="S"/>
                  <bond atomRefs2="a33 a66" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a34 a67" order="S"/>
                  <bond atomRefs2="a34 a72" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a35 a71" order="S"/>
                  <bond atomRefs2="a35 a70" order="S"/>
                  <bond atomRefs2="a35 a68" order="S"/>
                  <bond atomRefs2="a35 a56" order="S"/>
                  <bond atomRefs2="a36 a72" order="S"/>
                  <bond atomRefs2="a36 a69" order="S"/>
                  <bond atomRefs2="a36 a57" order="S"/>
                  <bond atomRefs2="a36 a71" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a73 a74" order="S"/>
               </bondArray>
               <formula concise="CAu36OPd36">
                  <atomArray count="1 36 1 36" elementType="C Au O Pd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">10949.925900000006</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/CO.36Au.36Pd/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:73,74;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/CRV:1.1,2.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:74AuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuAuPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdC3O1/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s3s16;s1s2s17;s2s3s18;s5s7;s5s6s8;s4s6s9;s4s9s10;s5s7s8s11;s6s8s9s12;s7s11s13;s8s11s12s14;s9s10s12s15;s10s15s16;s11s13s14s17;s12s14s15s18;s1s13s17;s2s14s17s18;s3s15s16s18;s3s16s21s34;s1s2s17s19s20s23s35;s2s3s18s20s21s36;;s2s20s23;s4s6s9s22s24s27;s4s9s10s22s25s27s28;s5s7s8s11s26s29;s6s8s9s12s24s26s27s30;s10s25s28s31;s8s11s12s14s26s29s30s32;s9s10s12s15s27s28s30s33;s10s15s16s28s31s33s34;s11s13s14s17s29s32s35;s12s14s15s18s30s32s33s36;s1s13s17s19s35;s2s14s17s18s20s32s35s36;s3s15s16s18s21s33s34s36;s33s36;s73;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
