<?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 May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2023-05-15T13:03:15.000</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">8.325496690291628</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.065586162</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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                        y3="0.68667543"
                        yFract="0.0952381"
                        z3="0.63457956"
                        zFract="0.02875879"/>
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                        x3="8.92017501"
                        xFract="0.95238095"
                        y3="1.7166885"
                        yFract="0.23809524"
                        z3="0.63457956"
                        zFract="0.02875879"/>
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                        x3="5.94678331"
                        xFract="0.52380952"
                        y3="2.74670157"
                        yFract="0.38095238"
                        z3="0.63457956"
                        zFract="0.02875879"/>
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                        y3="3.77671464"
                        yFract="0.52380952"
                        z3="0.63457956"
                        zFract="0.02875879"/>
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                        xFract="0.66666667"
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                        yFract="0.66666667"
                        z3="0.63457956"
                        zFract="0.02875879"/>
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                        x3="5.35210503"
                        xFract="0.23809524"
                        y3="5.83674085"
                        yFract="0.80952381"
                        z3="0.63457956"
                        zFract="0.02875879"/>
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                        xFract="0.80952381"
                        y3="6.86675392"
                        yFract="0.95238095"
                        z3="0.63457956"
                        zFract="0.02875879"/>
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                        id="a8"
                        x3="1.78403501"
                        xFract="0.19047619"
                        y3="0.34333771"
                        yFract="0.04761905"
                        z3="3.20388361"
                        zFract="0.14519821"/>
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                        xFract="0.33333333"
                        y3="2.40336385"
                        yFract="0.33333333"
                        z3="3.20388361"
                        zFract="0.14519821"/>
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                        x3="6.54146172"
                        xFract="0.47619048"
                        y3="4.46339007"
                        yFract="0.61904762"
                        z3="3.20388361"
                        zFract="0.14519821"/>
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                        x3="8.92017501"
                        xFract="0.61904762"
                        y3="6.52341621"
                        yFract="0.9047619"
                        z3="3.20388361"
                        zFract="0.14519821"/>
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                        xFract="0.76190476"
                        y3="1.37335078"
                        yFract="0.19047619"
                        z3="3.20388361"
                        zFract="0.14519821"/>
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                        id="a13"
                        x3="9.51485334"
                        xFract="0.9047619"
                        y3="3.433377"
                        yFract="0.47619048"
                        z3="3.20388361"
                        zFract="0.14519821"/>
                  <atom elementType="O"
                        id="a14"
                        x3="3.56807002"
                        xFract="0.04761905"
                        y3="5.49340314"
                        yFract="0.76190476"
                        z3="3.20388361"
                        zFract="0.14519821"/>
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                        id="a15"
                        x3="5.35202394"
                        xFract="0.57141557"
                        y3="1.03006015"
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                        z3="5.81296221"
                        zFract="0.26344019"/>
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                        id="a16"
                        x3="7.73073728"
                        xFract="0.71427271"
                        y3="3.09008636"
                        yFract="0.42857796"
                        z3="5.81296221"
                        zFract="0.26344019"/>
                  <atom elementType="O"
                        id="a17"
                        x3="8.32541556"
                        xFract="0.99998699"
                        y3="0.00004708"
                        yFract="0.00000653"
                        z3="5.81296221"
                        zFract="0.26344019"/>
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                        id="a18"
                        x3="2.37863229"
                        xFract="0.14284414"
                        y3="2.06007329"
                        yFract="0.28572082"
                        z3="5.81296221"
                        zFract="0.26344019"/>
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                        id="a19"
                        x3="4.75734558"
                        xFract="0.28570128"
                        y3="4.12009943"
                        yFract="0.5714351"
                        z3="5.81296221"
                        zFract="0.26344019"/>
                  <atom elementType="O"
                        id="a20"
                        x3="10.10945061"
                        xFract="0.85712985"
                        y3="5.15011258"
                        yFract="0.71429225"
                        z3="5.81296221"
                        zFract="0.26344019"/>
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                        id="a21"
                        x3="7.13605891"
                        xFract="0.42855842"
                        y3="6.18012565"
                        yFract="0.85714939"
                        z3="5.81296221"
                        zFract="0.26344019"/>
                  <atom elementType="Li"
                        id="a22"
                        x3="1.78403501"
                        xFract="0.19047619"
                        y3="0.34333771"
                        yFract="0.04761905"
                        z3="1.27690546"
                        zFract="0.05786864"/>
                  <atom elementType="Li"
                        id="a23"
                        x3="7.13614"
                        xFract="0.76190476"
                        y3="1.37335078"
                        yFract="0.19047619"
                        z3="1.27690546"
                        zFract="0.05786864"/>
                  <atom elementType="Li"
                        id="a24"
                        x3="4.1627483"
                        xFract="0.33333333"
                        y3="2.40336385"
                        yFract="0.33333333"
                        z3="1.27690546"
                        zFract="0.05786864"/>
                  <atom elementType="Li"
                        id="a25"
                        x3="9.51485334"
                        xFract="0.9047619"
                        y3="3.433377"
                        yFract="0.47619048"
                        z3="1.27690546"
                        zFract="0.05786864"/>
                  <atom elementType="Li"
                        id="a26"
                        x3="6.54146172"
                        xFract="0.47619048"
                        y3="4.46339007"
                        yFract="0.61904762"
                        z3="1.27690546"
                        zFract="0.05786864"/>
                  <atom elementType="Li"
                        id="a27"
                        x3="8.92017501"
                        xFract="0.61904762"
                        y3="6.52341621"
                        yFract="0.9047619"
                        z3="1.27690546"
                        zFract="0.05786864"/>
                  <atom elementType="Li"
                        id="a28"
                        x3="3.56807002"
                        xFract="0.04761905"
                        y3="5.49340314"
                        yFract="0.76190476"
                        z3="1.27690546"
                        zFract="0.05786864"/>
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                        id="a29"
                        x3="3.56807002"
                        xFract="0.38095238"
                        y3="0.68667543"
                        yFract="0.0952381"
                        z3="2.56155749"
                        zFract="0.11608835"/>
                  <atom elementType="Li"
                        id="a30"
                        x3="8.92017501"
                        xFract="0.95238095"
                        y3="1.7166885"
                        yFract="0.23809524"
                        z3="2.56155749"
                        zFract="0.11608835"/>
                  <atom elementType="Li"
                        id="a31"
                        x3="5.94678331"
                        xFract="0.52380952"
                        y3="2.74670157"
                        yFract="0.38095238"
                        z3="2.56155749"
                        zFract="0.11608835"/>
                  <atom elementType="Li"
                        id="a32"
                        x3="8.32549673"
                        xFract="0.66666667"
                        y3="4.80672778"
                        yFract="0.66666667"
                        z3="2.56155749"
                        zFract="0.11608835"/>
                  <atom elementType="Li"
                        id="a33"
                        x3="2.9733917"
                        xFract="0.0952381"
                        y3="3.77671464"
                        yFract="0.52380952"
                        z3="2.56155749"
                        zFract="0.11608835"/>
                  <atom elementType="Li"
                        id="a34"
                        x3="5.35210503"
                        xFract="0.23809524"
                        y3="5.83674085"
                        yFract="0.80952381"
                        z3="2.56155749"
                        zFract="0.11608835"/>
                  <atom elementType="Li"
                        id="a35"
                        x3="10.70421002"
                        xFract="0.80952381"
                        y3="6.86675392"
                        yFract="0.95238095"
                        z3="2.56155749"
                        zFract="0.11608835"/>
                  <atom elementType="Li"
                        id="a36"
                        x3="12.48822868"
                        xFract="0.99999976"
                        y3="7.21006676"
                        yFract="0.99999655"
                        z3="3.85463305"
                        zFract="0.17468981"/>
                  <atom elementType="Li"
                        id="a37"
                        x3="5.35208863"
                        xFract="0.57142833"
                        y3="1.0299882"
                        yFract="0.14285369"
                        z3="3.85463305"
                        zFract="0.17468981"/>
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                        xFract="0.1428569"
                        y3="2.06000126"
                        yFract="0.28571083"
                        z3="3.85463305"
                        zFract="0.17468981"/>
                  <atom elementType="Li"
                        id="a39"
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                        yFract="0.42856797"
                        z3="3.85463305"
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                        yFract="0.71428226"
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                  <bond atomRefs2="a32 a5" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a33 a40" order="S"/>
                  <bond atomRefs2="a33 a14" order="S"/>
                  <bond atomRefs2="a33 a9" order="S"/>
                  <bond atomRefs2="a33 a4" order="S"/>
                  <bond atomRefs2="a34 a40" order="S"/>
                  <bond atomRefs2="a34 a41" order="S"/>
                  <bond atomRefs2="a34 a10" order="S"/>
                  <bond atomRefs2="a34 a14" order="S"/>
                  <bond atomRefs2="a34 a6" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a11" order="S"/>
                  <bond atomRefs2="a35 a7" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a15" order="S"/>
                  <bond atomRefs2="a37 a12" order="S"/>
                  <bond atomRefs2="a37 a9" order="S"/>
                  <bond atomRefs2="a38 a45" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a18" order="S"/>
                  <bond atomRefs2="a38 a9" order="S"/>
                  <bond atomRefs2="a38 a8" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a16" order="S"/>
                  <bond atomRefs2="a39 a13" order="S"/>
                  <bond atomRefs2="a39 a10" order="S"/>
                  <bond atomRefs2="a39 a12" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a19" order="S"/>
                  <bond atomRefs2="a40 a10" order="S"/>
                  <bond atomRefs2="a40 a14" order="S"/>
                  <bond atomRefs2="a40 a9" order="S"/>
                  <bond atomRefs2="a41 a49" order="S"/>
                  <bond atomRefs2="a41 a47" order="S"/>
                  <bond atomRefs2="a41 a21" order="S"/>
                  <bond atomRefs2="a41 a11" order="S"/>
                  <bond atomRefs2="a41 a10" order="S"/>
                  <bond atomRefs2="a42 a49" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a20" order="S"/>
                  <bond atomRefs2="a42 a11" order="S"/>
                  <bond atomRefs2="a42 a13" order="S"/>
                  <bond atomRefs2="a43 a8" order="S"/>
                  <bond atomRefs2="a43 a18" order="S"/>
                  <bond atomRefs2="a44 a51" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a44 a12" order="S"/>
                  <bond atomRefs2="a44 a15" order="S"/>
                  <bond atomRefs2="a44 a17" order="S"/>
                  <bond atomRefs2="a44 a16" order="S"/>
                  <bond atomRefs2="a45 a52" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a45 a9" order="S"/>
                  <bond atomRefs2="a45 a18" order="S"/>
                  <bond atomRefs2="a45 a15" order="S"/>
                  <bond atomRefs2="a45 a19" order="S"/>
                  <bond atomRefs2="a46 a51" order="S"/>
                  <bond atomRefs2="a46 a54" order="S"/>
                  <bond atomRefs2="a46 a13" order="S"/>
                  <bond atomRefs2="a46 a16" order="S"/>
                  <bond atomRefs2="a46 a20" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a47 a54" order="S"/>
                  <bond atomRefs2="a47 a55" order="S"/>
                  <bond atomRefs2="a47 a10" order="S"/>
                  <bond atomRefs2="a47 a19" order="S"/>
                  <bond atomRefs2="a47 a16" order="S"/>
                  <bond atomRefs2="a47 a21" order="S"/>
                  <bond atomRefs2="a48 a53" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a48 a14" order="S"/>
                  <bond atomRefs2="a48 a19" order="S"/>
                  <bond atomRefs2="a49 a54" order="S"/>
                  <bond atomRefs2="a49 a56" order="S"/>
                  <bond atomRefs2="a49 a11" order="S"/>
                  <bond atomRefs2="a49 a21" order="S"/>
                  <bond atomRefs2="a49 a20" order="S"/>
                  <bond atomRefs2="a51 a16" order="S"/>
                  <bond atomRefs2="a51 a17" order="S"/>
                  <bond atomRefs2="a52 a19" order="S"/>
                  <bond atomRefs2="a52 a16" order="S"/>
                  <bond atomRefs2="a52 a15" order="S"/>
                  <bond atomRefs2="a53 a19" order="S"/>
                  <bond atomRefs2="a53 a18" order="S"/>
                  <bond atomRefs2="a54 a21" order="S"/>
                  <bond atomRefs2="a54 a20" order="S"/>
                  <bond atomRefs2="a54 a16" order="S"/>
                  <bond atomRefs2="a55 a21" order="S"/>
                  <bond atomRefs2="a55 a19" order="S"/>
                  <bond atomRefs2="a56 a20" order="S"/>
                  <bond atomRefs2="a58 a1" order="S"/>
                  <bond atomRefs2="a58 a3" order="S"/>
                  <bond atomRefs2="a59 a1" order="S"/>
                  <bond atomRefs2="a59 a4" order="S"/>
                  <bond atomRefs2="a60 a3" order="S"/>
                  <bond atomRefs2="a60 a2" order="S"/>
                  <bond atomRefs2="a60 a5" order="S"/>
                  <bond atomRefs2="a61 a4" order="S"/>
                  <bond atomRefs2="a61 a3" order="S"/>
                  <bond atomRefs2="a61 a6" order="S"/>
                  <bond atomRefs2="a62 a5" order="S"/>
                  <bond atomRefs2="a62 a7" order="S"/>
                  <bond atomRefs2="a63 a6" order="S"/>
                  <bond atomRefs2="a63 a5" order="S"/>
               </bondArray>
               <formula concise="Li42O21">
                  <atomArray count="42 21" elementType="Li O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">627.5093999999998</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/42Li.21O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21/rA:63O5O4O7O5O7O5O3O4O8O8O6O6O6O5O4O7OO4O7O5O5Li5Li7Li10Li7Li10Li7Li6Li7Li6Li10Li10Li7Li7Li5LiLi7Li7Li10Li10Li7Li7Li3Li8Li9Li7Li10Li5Li7Li0Li4Li6Li4Li6Li4Li2LiLi4Li4Li6Li6Li4Li4/rB:;;;;;;;;;;;;;;;;;;;;s1s8;s2s3s12;s1s3s4s9;s2s5s13;s3s5s6s10;s5s7s11;s4s6s14;s1s8s9s22s24;s2s12s13s23s25;s3s9s10s12s23s24s26;s5s10s11s13s25s26s27;s4s9s14s24s28;s6s10s14s26s28;s7s11s27;s35;s9s12s15s29s31;s8s9s18s29s33;s10s12s13s16s30s31s32;s9s10s14s19s31s33s34;s10s11s21s32s34;s11s13s20s32s35;s8s18s38;s12s15s16s17s37s39;s9s15s18s19s37s38s40;s13s16s20s39s42;s10s16s19s21s39s40s41;s14s19s40;s11s20s21s41s42;;s16s17s44s46;s15s16s19s44s45s47;s18s19s45s48;s16s20s21s46s47s49;s19s21s47s48;s20s49;s22;s1s3s23s24;s1s4s22s24;s2s3s5s23s25s26;s3s4s6s24s26s28;s5s7s25s27;s5s6s26s27;/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-03</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</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">252.0000</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="2">PAW_PBE O 08Apr2002|PAW_PBE Li_sv 10Sep2004</array>
                  <array dictRef="cc:atomType" size="2">O Li</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">16.00 7.01</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">6.00 3.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">21 42</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="10">1 2 3 4 5 6 7 8 9 10</array>
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                        xFract="0.80953047"
                        y3="6.86645"
                        yFract="0.9523388"
                        z3="6.37033"
                        zFract="0.28869979"/>
                  <atom elementType="Li"
                        id="a57"
                        x3="0.0048"
                        xFract="0.00035671"
                        y3="0.00317"
                        yFract="0.00043966"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a58"
                        x3="5.35691"
                        xFract="0.5717861"
                        y3="1.03318"
                        yFract="0.14329638"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a59"
                        x3="2.38352"
                        xFract="0.14321508"
                        y3="2.06319"
                        yFract="0.28615309"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a60"
                        x3="7.73562"
                        xFract="0.71464257"
                        y3="3.09321"
                        yFract="0.42901119"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a61"
                        x3="4.76223"
                        xFract="0.28607156"
                        y3="4.12322"
                        yFract="0.57186791"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a62"
                        x3="10.11434"
                        xFract="0.85750094"
                        y3="5.15323"
                        yFract="0.71472462"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a63"
                        x3="7.14094"
                        xFract="0.42892804"
                        y3="6.18325"
                        yFract="0.85758272"
                        z3="0.0000"
                        zFract="0.0000"/>
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                  <bond atomRefs2="a34 a6" order="S"/>
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                  <bond atomRefs2="a35 a42" order="S"/>
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                  <bond atomRefs2="a41 a49" order="S"/>
                  <bond atomRefs2="a41 a47" order="S"/>
                  <bond atomRefs2="a41 a21" order="S"/>
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                  <bond atomRefs2="a41 a10" order="S"/>
                  <bond atomRefs2="a42 a49" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a20" order="S"/>
                  <bond atomRefs2="a42 a11" order="S"/>
                  <bond atomRefs2="a42 a13" order="S"/>
                  <bond atomRefs2="a43 a8" order="S"/>
                  <bond atomRefs2="a43 a18" order="S"/>
                  <bond atomRefs2="a44 a51" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a44 a12" order="S"/>
                  <bond atomRefs2="a44 a15" order="S"/>
                  <bond atomRefs2="a44 a16" order="S"/>
                  <bond atomRefs2="a44 a17" order="S"/>
                  <bond atomRefs2="a45 a52" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a45 a9" order="S"/>
                  <bond atomRefs2="a45 a18" order="S"/>
                  <bond atomRefs2="a45 a15" order="S"/>
                  <bond atomRefs2="a45 a19" order="S"/>
                  <bond atomRefs2="a46 a51" order="S"/>
                  <bond atomRefs2="a46 a54" order="S"/>
                  <bond atomRefs2="a46 a13" order="S"/>
                  <bond atomRefs2="a46 a16" order="S"/>
                  <bond atomRefs2="a46 a20" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a47 a54" order="S"/>
                  <bond atomRefs2="a47 a55" order="S"/>
                  <bond atomRefs2="a47 a10" order="S"/>
                  <bond atomRefs2="a47 a19" order="S"/>
                  <bond atomRefs2="a47 a21" order="S"/>
                  <bond atomRefs2="a47 a16" order="S"/>
                  <bond atomRefs2="a48 a53" order="S"/>
                  <bond atomRefs2="a48 a55" order="S"/>
                  <bond atomRefs2="a48 a14" order="S"/>
                  <bond atomRefs2="a48 a19" order="S"/>
                  <bond atomRefs2="a49 a54" order="S"/>
                  <bond atomRefs2="a49 a56" order="S"/>
                  <bond atomRefs2="a49 a11" order="S"/>
                  <bond atomRefs2="a49 a21" order="S"/>
                  <bond atomRefs2="a49 a20" order="S"/>
                  <bond atomRefs2="a51 a16" order="S"/>
                  <bond atomRefs2="a51 a17" order="S"/>
                  <bond atomRefs2="a52 a19" order="S"/>
                  <bond atomRefs2="a52 a16" order="S"/>
                  <bond atomRefs2="a52 a15" order="S"/>
                  <bond atomRefs2="a53 a19" order="S"/>
                  <bond atomRefs2="a53 a18" order="S"/>
                  <bond atomRefs2="a54 a21" order="S"/>
                  <bond atomRefs2="a54 a20" order="S"/>
                  <bond atomRefs2="a54 a16" order="S"/>
                  <bond atomRefs2="a55 a21" order="S"/>
                  <bond atomRefs2="a55 a19" order="S"/>
                  <bond atomRefs2="a56 a20" order="S"/>
                  <bond atomRefs2="a58 a1" order="S"/>
                  <bond atomRefs2="a58 a3" order="S"/>
                  <bond atomRefs2="a59 a1" order="S"/>
                  <bond atomRefs2="a59 a4" order="S"/>
                  <bond atomRefs2="a60 a3" order="S"/>
                  <bond atomRefs2="a60 a2" order="S"/>
                  <bond atomRefs2="a60 a5" order="S"/>
                  <bond atomRefs2="a61 a4" order="S"/>
                  <bond atomRefs2="a61 a3" order="S"/>
                  <bond atomRefs2="a61 a6" order="S"/>
                  <bond atomRefs2="a62 a5" order="S"/>
                  <bond atomRefs2="a62 a7" order="S"/>
                  <bond atomRefs2="a63 a6" order="S"/>
                  <bond atomRefs2="a63 a5" order="S"/>
               </bondArray>
               <formula concise="Li42O21">
                  <atomArray count="42 21" elementType="Li O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">627.5093999999998</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/42Li.21O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21/rA:63O5O4O7O5O7O5O3O4O8O8O6O6O6O5O4O7OO4O7O5O5Li5Li7Li10Li7Li10Li7Li6Li7Li6Li10Li10Li7Li7Li5LiLi7Li7Li10Li10Li7Li7Li3Li8Li9Li7Li10Li5Li7Li0Li4Li6Li4Li6Li4Li2LiLi4Li4Li6Li6Li4Li4/rB:;;;;;;;;;;;;;;;;;;;;s1s8;s2s3s12;s1s3s4s9;s2s5s13;s3s5s6s10;s5s7s11;s4s6s14;s1s8s9s22s24;s2s12s13s23s25;s3s9s10s12s23s24s26;s5s10s11s13s25s26s27;s4s9s14s24s28;s6s10s14s26s28;s7s11s27;s35;s9s12s15s29s31;s8s9s18s29s33;s10s12s13s16s30s31s32;s9s10s14s19s31s33s34;s10s11s21s32s34;s11s13s20s32s35;s8s18s38;s12s15s16s17s37s39;s9s15s18s19s37s38s40;s13s16s20s39s42;s10s16s19s21s39s40s41;s14s19s40;s11s20s21s41s42;;s16s17s44s46;s15s16s19s44s45s47;s18s19s45s48;s16s20s21s46s47s49;s19s21s47s48;s20s49;s22;s1s3s23s24;s1s4s22s24;s2s3s5s23s25s26;s3s4s6s24s26s28;s5s7s25s27;s5s6s26s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
