<?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">2019-01-29T01:31:04.000+01:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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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>
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                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.16666667"
                        y3="1.46608583"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.33333333"
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                        yFract="0.33333333"
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                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        yFract="0.33333333"
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                        zFract="0.0000"/>
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                        xFract="0.0000"
                        y3="4.3982574"
                        yFract="0.5000"
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                        zFract="0.0000"/>
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                        xFract="0.16666667"
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                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="7.61800524"
                        xFract="0.33333333"
                        y3="7.33042898"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="7.61800529"
                        xFract="0.5000"
                        y3="4.3982574"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        y3="5.86434323"
                        yFract="0.66666667"
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                        y3="7.33042898"
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                        xFract="0.16666667"
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                        yFract="0.0000"
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                        zFract="0.1197054"/>
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                        xFract="0.0000"
                        y3="2.93217157"
                        yFract="0.33333333"
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                        zFract="0.1197054"/>
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                        yFract="0.16666667"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        xFract="0.5000"
                        y3="2.93217157"
                        yFract="0.33333333"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        xFract="0.83333333"
                        y3="1.46608583"
                        yFract="0.16666667"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        xFract="0.16666667"
                        y3="4.3982574"
                        yFract="0.5000"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        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"
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                        xFract="0.83333333"
                        y3="5.86434323"
                        yFract="0.66666667"
                        z3="2.394108"
                        zFract="0.1197054"/>
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                        id="a25"
                        x3="10.99601588"
                        xFract="0.998677"
                        y3="1.47590415"
                        yFract="0.16778283"
                        z3="4.7372644"
                        zFract="0.23686322"/>
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                        id="a26"
                        x3="3.376326"
                        xFract="0.33152184"
                        y3="0.01549462"
                        yFract="0.00176145"
                        z3="4.7367396"
                        zFract="0.23683698"/>
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                        id="a27"
                        x3="3.37221674"
                        xFract="0.16486342"
                        y3="2.9404037"
                        yFract="0.33426917"
                        z3="4.732745"
                        zFract="0.23663725"/>
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                        xFract="0.50041191"
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                        yFract="0.16814556"
                        z3="4.7623034"
                        zFract="0.23811517"/>
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                        y3="0.02538058"
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                        zFract="0.23829341"/>
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                        xFract="0.66616918"
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                        zFract="0.35554065"/>
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                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a48" 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 a51" order="S"/>
                  <bond atomRefs2="a49 a52" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
               </bondArray>
               <formula concise="C2H4FeAg47">
                  <atomArray count="2 4 1 47" elementType="C H Fe Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5149.671799999996</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C2H4.47Ag.Fe/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <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/E:(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.3,2.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:54AgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgAgFeAgAgC3C3HHHH/rB:s1;s2;s2s3;s3s4;s5;s2s3;s3s7;s8;s3s5s6s8s9;s6s9s10;s11;s1s2;s2s7s13;s2s3s4s13s14;s4s5s15;s3s5s10s15s16;s5s6s16s17;s3s7s8s14s15s17;s8s19;s8s9s10s17s19s20;s6s10s11s17s18s21;s9s11s21s22;s11s12s22s23;s18;s13s15;s14s15s19s26;s15s16s17s26s27;s16s18s25s28;s17s18s22s25s28s29;s19s20s27;s17s19s21s27s28s30s31;s20s21s31s32;s21s22s23s30s32s33;s22s24s25s30s34;s23s24s34s35;;s26s27s37;s27s28s32s38;s26s28s38s39;s28s29s30s39s40;s25s30s35s41;s35s42;s31s32s33s39;s33s34s44;;s34s35s36s42s43s45;s36s43s47;;s49;s49;s49;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">537.0000</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 Fe 06Sep2000|PAW_PBE Ag 02Apr2005|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="5">Ag Fe Ag C H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">107.87 55.85107 .87 12.01 1.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">11.00 8.00 11.00 4.00 1.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">45 1 2 2 4</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">-13.9396 -9.3224 -6.5110 -5.4240 -5.2578 -4.5185 -4.3083 -4.2967 -4.2939 -4.2874 -4.2342 -4.2263 -4.2190 -4.1576 -4.1548 -4.1511 -4.0358 -3.9587 -3.9210 -3.9150 -3.9139 -3.9112 -3.8985 -3.8943 -3.8701 -3.8629 -3.7467 -3.7245 -3.7099 -3.7058 -3.7015 -3.6987 -3.6959 -3.6956 -3.6932 -3.6919 -3.6800 -3.6765 -3.6673 -3.6517 -3.6472 -3.6120 -3.5549 -3.5408 -3.5342 -3.5309 -3.5242 -3.5199 -3.5177 -3.5143 -3.5056 -3.5006 -3.4935 -3.4774 -3.4649 -3.4621 -3.4610 -3.3856 -3.3545 -3.3511 -3.3472 -3.3454 -3.3383 -3.3382 -3.3314 -3.2666 -3.2641 -3.2537 -3.2394 -3.2366 -3.2343 -3.2197 -3.2174 -3.2107 -3.1778 -3.0920 -3.0706 -3.0650 -3.0550 -3.0443 -3.0392 -3.0259 -3.0214 -3.0070 -2.9855 -2.9530 -2.9305 -2.9058 -2.9029 -2.9022 -2.8959 -2.8928 -2.8923 -2.8895 -2.8883 -2.8753 -2.8616 -2.8569 -2.8432 -2.8320 -2.8247 -2.8123 -2.8067 -2.8011 -2.7965 -2.7936 -2.7865 -2.7830 -2.7722 -2.7688 -2.7572 -2.7529 -2.7450 -2.7445 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                        yFract="0.33332065"
                        z3="4.76329"
                        zFract="0.2381645"/>
                  <atom elementType="Ag"
                        id="a31"
                        x3="3.39338"
                        xFract="0.00033062"
                        y3="5.87169"
                        yFract="0.66750186"
                        z3="4.73723"
                        zFract="0.2368615"/>
                  <atom elementType="Ag"
                        id="a32"
                        x3="5.92639"
                        xFract="0.33265212"
                        y3="4.41245"
                        yFract="0.50161343"
                        z3="4.73297"
                        zFract="0.2366485"/>
                  <atom elementType="Ag"
                        id="a33"
                        x3="5.92518"
                        xFract="0.16628647"
                        y3="7.33723"
                        yFract="0.83410648"
                        z3="4.74175"
                        zFract="0.2370875"/>
                  <atom elementType="Ag"
                        id="a34"
                        x3="8.47332"
                        xFract="0.49983209"
                        y3="5.88266"
                        yFract="0.66874895"
                        z3="4.73551"
                        zFract="0.2367755"/>
                  <atom elementType="Ag"
                        id="a35"
                        x3="10.9988"
                        xFract="0.83175046"
                        y3="4.41747"
                        yFract="0.50218411"
                        z3="4.73789"
                        zFract="0.2368945"/>
                  <atom elementType="Ag"
                        id="a36"
                        x3="11.00608"
                        xFract="0.6661695"
                        y3="7.34315"
                        yFract="0.83477947"
                        z3="4.73985"
                        zFract="0.2369925"/>
                  <atom elementType="Ag"
                        id="a37"
                        x3="0.01016"
                        xFract="0.00010559"
                        y3="0.01574"
                        yFract="0.00178935"
                        z3="7.09714"
                        zFract="0.354857"/>
                  <atom elementType="Ag"
                        id="a38"
                        x3="2.52875"
                        xFract="0.16433176"
                        y3="1.48883"
                        yFract="0.16925226"
                        z3="7.11081"
                        zFract="0.3555405"/>
                  <atom elementType="Ag"
                        id="a39"
                        x3="5.04446"
                        xFract="0.32753034"
                        y3="2.97501"
                        yFract="0.33820326"
                        z3="7.07031"
                        zFract="0.3535155"/>
                  <atom elementType="Ag"
                        id="a40"
                        x3="5.04379"
                        xFract="0.49643471"
                        y3="0.00231"
                        yFract="0.0002626"
                        z3="7.08255"
                        zFract="0.3541275"/>
                  <atom elementType="Ag"
                        id="a41"
                        x3="7.60609"
                        xFract="0.66429402"
                        y3="1.48719"
                        yFract="0.16906582"
                        z3="7.18016"
                        zFract="0.359008"/>
                  <atom elementType="Ag"
                        id="a42"
                        x3="10.17321"
                        xFract="0.83301381"
                        y3="2.96528"
                        yFract="0.33709714"
                        z3="7.09012"
                        zFract="0.354506"/>
                  <atom elementType="Ag"
                        id="a43"
                        x3="12.68703"
                        xFract="0.9977503"
                        y3="4.42113"
                        yFract="0.50260019"
                        z3="7.11004"
                        zFract="0.355502"/>
                  <atom elementType="Ag"
                        id="a44"
                        x3="5.0729"
                        xFract="0.16476585"
                        y3="5.88779"
                        yFract="0.66933213"
                        z3="7.11327"
                        zFract="0.3556635"/>
                  <atom elementType="Ag"
                        id="a45"
                        x3="7.60963"
                        xFract="0.33125993"
                        y3="7.3524"
                        yFract="0.83583103"
                        z3="7.11786"
                        zFract="0.355893"/>
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                        id="a46"
                        x3="7.61049"
                        xFract="0.49623092"
                        y3="4.45155"
                        yFract="0.50605838"
                        z3="7.07878"
                        zFract="0.353939"/>
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                        id="a47"
                        x3="10.15117"
                        xFract="0.66481513"
                        y3="5.88623"
                        yFract="0.66915479"
                        z3="7.12199"
                        zFract="0.3560995"/>
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                        id="a48"
                        x3="12.69024"
                        xFract="0.83283896"
                        y3="7.32798"
                        yFract="0.83305493"
                        z3="7.09122"
                        zFract="0.354561"/>
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                        x3="6.88244"
                        xFract="0.56812647"
                        y3="1.92567"
                        yFract="0.21891284"
                        z3="9.67887"
                        zFract="0.4839435"/>
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                        id="a50"
                        x3="8.0603"
                        xFract="0.72204671"
                        y3="1.25786"
                        yFract="0.14299527"
                        z3="9.72803"
                        zFract="0.4864015"/>
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                        id="a51"
                        x3="6.84269"
                        xFract="0.50216631"
                        y3="3.01726"
                        yFract="0.3430063"
                        z3="9.68462"
                        zFract="0.484231"/>
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                        id="a52"
                        x3="5.92523"
                        xFract="0.50376596"
                        y3="1.40003"
                        yFract="0.15915735"
                        z3="9.70342"
                        zFract="0.485171"/>
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                        id="a53"
                        x3="9.01345"
                        xFract="0.78574604"
                        y3="1.7881"
                        yFract="0.20327369"
                        z3="9.78332"
                        zFract="0.489166"/>
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                        id="a54"
                        x3="8.09575"
                        xFract="0.78742324"
                        y3="0.16909"
                        yFract="0.01922239"
                        z3="9.80261"
                        zFract="0.4901305"/>
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               <bondArray>
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                  <bond atomRefs2="a3 a5" order="S"/>
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                  <bond atomRefs2="a3 a8" order="S"/>
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                  <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"/>
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                  <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="a10 a17" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
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                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a48" 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 a51" order="S"/>
                  <bond atomRefs2="a49 a52" order="S"/>
                  <bond atomRefs2="a50 a53" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
               </bondArray>
               <formula concise="C2H4FeAg47">
                  <atomArray count="2 4 1 47" elementType="C H Fe Ag"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5149.671799999996</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C2H4.47Ag.Fe/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
