<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        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">2019-01-29T01:31:05.000+01:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.157340382261943</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</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>
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                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a2"
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                        xFract="0.16666667"
                        y3="1.46608583"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ag"
                        id="a3"
                        x3="5.07867014"
                        xFract="0.33333333"
                        y3="2.93217157"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a4"
                        x3="5.07867019"
                        xFract="0.5000"
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                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.66666667"
                        y3="1.46608583"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.83333333"
                        y3="2.93217157"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="2.5393351"
                        xFract="0.0000"
                        y3="4.3982574"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="5.07867024"
                        xFract="0.16666667"
                        y3="5.86434323"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a9"
                        x3="7.61800524"
                        xFract="0.33333333"
                        y3="7.33042898"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a10"
                        x3="7.61800529"
                        xFract="0.5000"
                        y3="4.3982574"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.66666667"
                        y3="5.86434323"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.83333333"
                        y3="7.33042898"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a13"
                        x3="1.6928901"
                        xFract="0.16666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        xFract="0.0000"
                        y3="2.93217157"
                        yFract="0.33333333"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        xFract="0.33333333"
                        y3="1.46608583"
                        yFract="0.16666667"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        xFract="0.66666667"
                        y3="0.0000"
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                        zFract="0.1197054"/>
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                        id="a17"
                        x3="6.77156024"
                        xFract="0.5000"
                        y3="2.93217157"
                        yFract="0.33333333"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        id="a18"
                        x3="9.31089533"
                        xFract="0.83333333"
                        y3="1.46608583"
                        yFract="0.16666667"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        id="a19"
                        x3="4.23222519"
                        xFract="0.16666667"
                        y3="4.3982574"
                        yFract="0.5000"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        id="a20"
                        x3="4.23222514"
                        xFract="0.0000"
                        y3="7.33042898"
                        yFract="0.83333333"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        id="a21"
                        x3="6.77156024"
                        xFract="0.33333333"
                        y3="5.86434323"
                        yFract="0.66666667"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        id="a22"
                        x3="9.31089538"
                        xFract="0.66666667"
                        y3="4.3982574"
                        yFract="0.5000"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        id="a23"
                        x3="9.31089533"
                        xFract="0.5000"
                        y3="7.33042898"
                        yFract="0.83333333"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        id="a24"
                        x3="11.85023043"
                        xFract="0.83333333"
                        y3="5.86434323"
                        yFract="0.66666667"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        id="a25"
                        x3="0.84947651"
                        xFract="0.00021494"
                        y3="1.46755502"
                        yFract="0.16683369"
                        z3="4.7477814"
                        zFract="0.23738907"/>
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                        id="a26"
                        x3="3.38941734"
                        xFract="0.33327954"
                        y3="0.00724622"
                        yFract="0.00082376"
                        z3="4.7451454"
                        zFract="0.23725727"/>
                  <atom elementType="Ag"
                        id="a27"
                        x3="3.39549371"
                        xFract="0.16763395"
                        y3="2.93197858"
                        yFract="0.33331139"
                        z3="4.7506812"
                        zFract="0.23753406"/>
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                        id="a28"
                        x3="5.91666428"
                        xFract="0.49821138"
                        y3="1.48291559"
                        yFract="0.1685799"
                        z3="4.7594196"
                        zFract="0.23797098"/>
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                        id="a29"
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                        xFract="0.83412914"
                        y3="8.79171305"
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                        z3="4.7400076"
                        zFract="0.23700038"/>
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                        yFract="0.33358756"
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                        zFract="0.23725774"/>
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                        xFract="0.3334643"
                        y3="4.38239949"
                        yFract="0.49819725"
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                        zFract="0.23777424"/>
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                        y3="7.3222527"
                        yFract="0.83240384"
                        z3="4.7459242"
                        zFract="0.23729621"/>
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                        y3="5.86663534"
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                        zFract="0.23713824"/>
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                        z3="4.7452986"
                        zFract="0.23726493"/>
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                        id="a36"
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                        xFract="0.66651323"
                        y3="7.33802538"
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                        zFract="0.23722274"/>
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                        y3="8.78838982"
                        yFract="0.99907634"
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                        xFract="0.16639909"
                        y3="1.45442068"
                        yFract="0.16534056"
                        z3="7.105335"
                        zFract="0.35526675"/>
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                        id="a39"
                        x3="5.06093873"
                        xFract="0.33084332"
                        y3="2.94526668"
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                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a52" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a50 a55" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
               </bondArray>
               <formula concise="C2H5NiAg47">
                  <atomArray count="2 5 1 47" elementType="C H Ni Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5152.520199999996</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C2H5.47Ag.Ni/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H2,2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:49,50;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;47;48;46/CRV:1.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:55AgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgNiAgAgCCHHHHH/rB:s1;s2;s2s3;s3s4;s5;s2s3;s3s7;s8;s3s5s6s8s9;s6s9s10;s11;s1s2;s2s7s13;s2s3s4s13s14;s4s5s15;s3s5s10s15s16;s5s6s16s17;s3s7s8s14s15s17;s8s19;s8s9s10s17s19s20;s6s10s11s17s18s21;s9s11s21s22;s11s12s22s23;s13s14;s13s15s25;s14s15s19s25s26;s15s16s17s26s27;;s17s18s22s28;s19s20s27;s17s19s21s27s28s30s31;s20s21s31s32;s21s22s23s30s32s33;s22s24s30s34;s23s24s29s34s35;s33;s25s26s27;s27s28s32s38;s36;s28s30s39;s30s35s41;s35s42;s31s32s33s37s39;s33s34s37s40s44;;s34s35s36s40s42s43s45;s29s36s40s43s47;s39;s49;s49;s49;s50;s50;s50;/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-02</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.0170</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">540.0000</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="5">PAW_PBE Ag 02Apr2005|PAW_PBE Ni 02Aug2007|PAW_PBE Ag 02Apr2005|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="5">Ag Ni Ag C H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">107.87 58.69107 .87 12.01 1.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">11.00 10.00 11.00 4.00 1.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">45 1 2 2 5</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">10.157340383 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">5.078670191 8.796514806 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 20.000000000</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="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1920">-12.4918 -8.8125 -5.5400 -4.9026 -4.6787 -4.4505 -4.4362 -4.4321 -4.4309 -4.3817 -4.3655 -4.3653 -4.3190 -4.2971 -4.2954 -4.2608 -4.1975 -4.0956 -4.0909 -4.0872 -4.0499 -4.0441 -4.0408 -4.0359 -4.0225 -4.0175 -3.9260 -3.8665 -3.8565 -3.8471 -3.8420 -3.8402 -3.8375 -3.8348 -3.8237 -3.8178 -3.8134 -3.8062 -3.8057 -3.7907 -3.7875 -3.6856 -3.6694 -3.6687 -3.6645 -3.6620 -3.6606 -3.6507 -3.6490 -3.6462 -3.6380 -3.6339 -3.6324 -3.6263 -3.6182 -3.6114 -3.5507 -3.5447 -3.5426 -3.5331 -3.5273 -3.5151 -3.4941 -3.4835 -3.4748 -3.4581 -3.4263 -3.4196 -3.4132 -3.3928 -3.3890 -3.3807 -3.3245 -3.3023 -3.2993 -3.2933 -3.2554 -3.2028 -3.1971 -3.1917 -3.1895 -3.1883 -3.1846 -3.1735 -3.1687 -3.1574 -3.1057 -3.0919 -3.0909 -3.0841 -3.0760 -3.0658 -3.0474 -3.0405 -3.0333 -3.0316 -3.0199 -3.0053 -2.9924 -2.9886 -2.9747 -2.9686 -2.9581 -2.9547 -2.9506 -2.9481 -2.9445 -2.9377 -2.9321 -2.9296 -2.9274 -2.9172 -2.9080 -2.9049 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                        yFract="0.3335878"
                        z3="4.74138"
                        zFract="0.237069"/>
                  <atom elementType="Ag"
                        id="a31"
                        x3="3.39113"
                        xFract="0.00097592"
                        y3="5.85644"
                        yFract="0.66576822"
                        z3="4.74515"
                        zFract="0.2372575"/>
                  <atom elementType="Ag"
                        id="a32"
                        x3="5.91729"
                        xFract="0.33346428"
                        y3="4.3824"
                        yFract="0.49819731"
                        z3="4.75548"
                        zFract="0.237774"/>
                  <atom elementType="Ag"
                        id="a33"
                        x3="5.92962"
                        xFract="0.16757507"
                        y3="7.32225"
                        yFract="0.83240353"
                        z3="4.74592"
                        zFract="0.237296"/>
                  <atom elementType="Ag"
                        id="a34"
                        x3="8.46532"
                        xFract="0.49995507"
                        y3="5.86664"
                        yFract="0.66692777"
                        z3="4.74276"
                        zFract="0.237138"/>
                  <atom elementType="Ag"
                        id="a35"
                        x3="11.00433"
                        xFract="0.83325948"
                        y3="4.4005"
                        yFract="0.50025494"
                        z3="4.7453"
                        zFract="0.237265"/>
                  <atom elementType="Ag"
                        id="a36"
                        x3="11.00661"
                        xFract="0.6665127"
                        y3="7.33803"
                        yFract="0.83419742"
                        z3="4.74445"
                        zFract="0.2372225"/>
                  <atom elementType="Ag"
                        id="a37"
                        x3="5.09155"
                        xFract="0.00172985"
                        y3="8.78839"
                        yFract="0.99907636"
                        z3="7.1189"
                        zFract="0.355945"/>
                  <atom elementType="Ag"
                        id="a38"
                        x3="2.52988"
                        xFract="0.1663989"
                        y3="1.45442"
                        yFract="0.16534048"
                        z3="7.10534"
                        zFract="0.355267"/>
                  <atom elementType="Ag"
                        id="a39"
                        x3="5.06094"
                        xFract="0.33084326"
                        y3="2.94527"
                        yFract="0.33482238"
                        z3="7.20466"
                        zFract="0.360233"/>
                  <atom elementType="Ag"
                        id="a40"
                        x3="10.1614"
                        xFract="0.50134521"
                        y3="8.77988"
                        yFract="0.99810893"
                        z3="7.10512"
                        zFract="0.355256"/>
                  <atom elementType="Ag"
                        id="a41"
                        x3="7.64842"
                        xFract="0.67068278"
                        y3="1.44811"
                        yFract="0.16462315"
                        z3="7.07923"
                        zFract="0.3539615"/>
                  <atom elementType="Ag"
                        id="a42"
                        x3="10.16299"
                        xFract="0.83410279"
                        y3="2.92842"
                        yFract="0.33290685"
                        z3="7.11191"
                        zFract="0.3555955"/>
                  <atom elementType="Ag"
                        id="a43"
                        x3="12.67602"
                        xFract="0.99729501"
                        y3="4.41007"
                        yFract="0.50134287"
                        z3="7.10226"
                        zFract="0.355113"/>
                  <atom elementType="Ag"
                        id="a44"
                        x3="5.08333"
                        xFract="0.16625765"
                        y3="5.87961"
                        yFract="0.66840222"
                        z3="7.10541"
                        zFract="0.3552705"/>
                  <atom elementType="Ag"
                        id="a45"
                        x3="7.62701"
                        xFract="0.33448581"
                        y3="7.32575"
                        yFract="0.83280142"
                        z3="7.11435"
                        zFract="0.3557175"/>
                  <atom elementType="Ni"
                        id="a46"
                        x3="7.6368"
                        xFract="0.50163649"
                        y3="4.40202"
                        yFract="0.50042774"
                        z3="7.0978"
                        zFract="0.35489"/>
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                        id="a47"
                        x3="10.15912"
                        xFract="0.66675963"
                        y3="5.86579"
                        yFract="0.66683114"
                        z3="7.1187"
                        zFract="0.355935"/>
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                        id="a48"
                        x3="12.70262"
                        xFract="0.83406744"
                        y3="7.32781"
                        yFract="0.8330356"
                        z3="7.11165"
                        zFract="0.3555825"/>
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                        id="a49"
                        x3="4.96329"
                        xFract="0.31631507"
                        y3="3.03173"
                        yFract="0.34465127"
                        z3="9.40689"
                        zFract="0.4703445"/>
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                        id="a50"
                        x3="6.16411"
                        xFract="0.47251394"
                        y3="2.3636"
                        yFract="0.26869733"
                        z3="10.05459"
                        zFract="0.5027295"/>
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                        id="a51"
                        x3="4.89039"
                        xFract="0.24839349"
                        y3="4.10041"
                        yFract="0.46614029"
                        z3="9.64468"
                        zFract="0.482234"/>
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                        id="a52"
                        x3="4.01442"
                        xFract="0.25077031"
                        y3="2.54137"
                        yFract="0.28890647"
                        z3="9.65838"
                        zFract="0.482919"/>
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                        id="a53"
                        x3="7.11047"
                        xFract="0.53804123"
                        y3="2.84992"
                        yFract="0.32398286"
                        z3="9.76861"
                        zFract="0.4884305"/>
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                        id="a54"
                        x3="6.23984"
                        xFract="0.54048223"
                        y3="1.2990"
                        yFract="0.14767212"
                        z3="9.78217"
                        zFract="0.4891085"/>
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                        id="a55"
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                        xFract="0.46254558"
                        y3="2.41411"
                        yFract="0.27443937"
                        z3="11.15935"
                        zFract="0.5579675"/>
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               <bondArray>
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                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
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                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
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                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a49 a52" order="S"/>
                  <bond atomRefs2="a49 a51" order="S"/>
                  <bond atomRefs2="a50 a55" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
               </bondArray>
               <formula concise="C2H5NiAg47">
                  <atomArray count="2 5 1 47" elementType="C H Ni Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5152.520199999996</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C2H5.47Ag.Ni/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H2,2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:49,50;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;47;48;46/CRV:1.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:55AgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgNiAgAgCCHHHHH/rB:s1;s2;s2s3;s3s4;s5;s2s3;s3s7;s8;s3s5s6s8s9;s6s9s10;s11;s1s2;s2s7s13;s2s3s4s13s14;s4s5s15;s3s5s10s15s16;s5s6s16s17;s3s7s8s14s15s17;s8s19;s8s9s10s17s19s20;s6s10s11s17s18s21;s9s11s21s22;s11s12s22s23;s13s14;s13s15s25;s14s15s19s25s26;s15s16s17s26s27;;s17s18s22s28;s19s20s27;s17s19s21s27s28s30s31;s20s21s31s32;s21s22s23s30s32s33;s22s24s30s34;s23s24s29s34s35;s33;s25s26s27;s27s28s32s38;s36;s28s30s39;s30s35s41;s35s42;s31s32s33s37s39;s33s34s37s40s44;;s34s35s36s40s42s43s45;s29s36s40s43s47;s39;s49;s49;s49;s50;s50;s50;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
