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        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
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        xmlns:xi="http://www.w3.org/2001/XInclude"
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                        yFract="0.33333333"
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                        zFract="0.63360828"/>
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                  <bond atomRefs2="a28 a32" order="S"/>
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                  <bond atomRefs2="a30 a33" order="S"/>
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                  <bond atomRefs2="a35 a83" order="S"/>
               </bondArray>
               <formula concise="Ce27O54Pt8">
                  <atomArray count="27 54 8" elementType="Ce O Pt"/>
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               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">6207.723599999984</scalar>
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               <formula convention="iupac:inchi" inline="InChI=1S/27Ce.54O.8Pt">
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               </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">415</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.5E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.5E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.3000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">728.0000</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">0.10</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ldau">
                  <scalar>true</scalar>
               </parameter>
               <parameter dictRef="v:ldautype">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">91</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">7</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">1</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>
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               <parameter dictRef="v:ldaul">
                  <array dataType="xsd:integer" size="4">-1 3 3 -1</array>
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               <parameter dictRef="v:ldauu">
                  <array dataType="xsd:double" size="4">0.000 4.000 4.000 0.000</array>
               </parameter>
               <parameter dictRef="v:ldauj">
                  <array dataType="xsd:double" size="4">0.000 0.000 0.000 0.000</array>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="4">PAW_GGA Pt 05Jan2001|PAW_GGA Ce 29Sep2000|PAW_GGA Ce 29Sep2000|PAW_GGA O 05Jan2001</array>
                  <array dictRef="cc:atomType" size="4">Pt Ce Ce O</array>
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                  <array dataType="xsd:double" dictRef="cc:valence" size="4">10.000 12.000 12.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">8 3 24 54</array>
               </module>
            </module>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
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                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.034</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.224</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">-0.535</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoefff">2.701</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">1.907</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-701.47106851</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-701.41847925</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-701.44477388</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">2.2879</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2989174E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">11.453008535</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">11.453008534689381</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">17.792785258</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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                        id="a1"
                        x3="5.70829"
                        xFract="0.25461608"
                        y3="4.83618"
                        yFract="0.48758714"
                        z3="16.97622"
                        zFract="0.95410695"/>
                  <atom elementType="Pt"
                        id="a2"
                        x3="7.03658"
                        xFract="0.48627919"
                        y3="2.5413"
                        yFract="0.25621569"
                        z3="16.96005"
                        zFract="0.95319815"/>
                  <atom elementType="Pt"
                        id="a3"
                        x3="5.85444"
                        xFract="0.19050365"
                        y3="6.36113"
                        yFract="0.64133369"
                        z3="14.9131"
                        zFract="0.83815433"/>
                  <atom elementType="Pt"
                        id="a4"
                        x3="8.44267"
                        xFract="0.64242525"
                        y3="1.87922"
                        yFract="0.18946431"
                        z3="14.90973"
                        zFract="0.83796493"/>
                  <atom elementType="Pt"
                        id="a5"
                        x3="5.82788"
                        xFract="0.42502356"
                        y3="1.66291"
                        yFract="0.16765578"
                        z3="14.87012"
                        zFract="0.83573874"/>
                  <atom elementType="Pt"
                        id="a6"
                        x3="7.27967"
                        xFract="0.42415318"
                        y3="4.19475"
                        yFract="0.4229177"
                        z3="14.86266"
                        zFract="0.83531947"/>
                  <atom elementType="Pt"
                        id="a7"
                        x3="4.37078"
                        xFract="0.17104452"
                        y3="4.17737"
                        yFract="0.42116544"
                        z3="14.87679"
                        zFract="0.83611361"/>
                  <atom elementType="Pt"
                        id="a8"
                        x3="3.25727"
                        xFract="0.1910778"
                        y3="1.85131"
                        yFract="0.1866504"
                        z3="14.70757"
                        zFract="0.82660302"/>
                  <atom elementType="Ce"
                        id="a9"
                        x3="0.0108"
                        xFract="0.00044896"
                        y3="0.0098"
                        yFract="0.00098804"
                        z3="12.31847"
                        zFract="0.69232949"/>
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                        id="a10"
                        x3="13.31814"
                        xFract="0.99516476"
                        y3="3.32642"
                        yFract="0.33537205"
                        z3="12.13328"
                        zFract="0.68192134"/>
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                        id="a11"
                        x3="5.7185"
                        xFract="0.33283855"
                        y3="3.30215"
                        yFract="0.33292513"
                        z3="12.08708"
                        zFract="0.67932478"/>
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                        id="a12"
                        x3="3.81767"
                        xFract="0.1111109"
                        y3="4.40827"
                        yFract="0.44444494"
                        z3="5.77928"
                        zFract="0.3248103"/>
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                        id="a13"
                        x3="5.7265"
                        xFract="0.22222192"
                        y3="5.51033"
                        yFract="0.55555542"
                        z3="8.89639"
                        zFract="0.49999985"/>
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                        id="a14"
                        x3="3.81767"
                        xFract="0.22222239"
                        y3="2.20413"
                        yFract="0.22222197"
                        z3="8.89639"
                        zFract="0.49999985"/>
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                        id="a15"
                        x3="5.7265"
                        xFract="0.11111093"
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                        z3="5.77928"
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                        id="a16"
                        x3="7.63534"
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                        yFract="0.88888888"
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                        zFract="0.49999985"/>
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                        id="a17"
                        x3="15.22536"
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                        y3="6.64896"
                        yFract="0.67035292"
                        z3="12.0912"
                        zFract="0.67955634"/>
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                        x3="7.63534"
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                        id="a20"
                        x3="9.53678"
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                        zFract="0.67926858"/>
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                        id="a21"
                        x3="7.63534"
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                        id="a22"
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                        zFract="0.49999985"/>
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                        id="a23"
                        x3="1.90883"
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                        y3="1.10207"
                        yFract="0.11111149"
                        z3="5.77928"
                        zFract="0.3248103"/>
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                        id="a24"
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                        id="a25"
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                        zFract="0.49999985"/>
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                        id="a27"
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                        zFract="0.49999985"/>
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                        x3="13.37441"
                        xFract="0.67054587"
                        y3="9.86341"
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                        z3="12.09663"
                        zFract="0.67986152"/>
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                        yFract="0.33694385"
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                        zFract="0.67872061"/>
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                        id="a33"
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                        x3="11.45099"
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                        id="a38"
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                  <bond atomRefs2="a25 a31" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a70" order="S"/>
                  <bond atomRefs2="a25 a68" order="S"/>
                  <bond atomRefs2="a25 a86" order="S"/>
                  <bond atomRefs2="a25 a87" order="S"/>
                  <bond atomRefs2="a25 a67" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a53" order="S"/>
                  <bond atomRefs2="a26 a69" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a65" order="S"/>
                  <bond atomRefs2="a26 a64" order="S"/>
                  <bond atomRefs2="a26 a71" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a73" order="S"/>
                  <bond atomRefs2="a27 a72" order="S"/>
                  <bond atomRefs2="a27 a78" order="S"/>
                  <bond atomRefs2="a27 a74" order="S"/>
                  <bond atomRefs2="a27 a55" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a76" order="S"/>
                  <bond atomRefs2="a28 a80" order="S"/>
                  <bond atomRefs2="a28 a81" order="S"/>
                  <bond atomRefs2="a28 a74" order="S"/>
                  <bond atomRefs2="a28 a73" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a29 a70" order="S"/>
                  <bond atomRefs2="a29 a88" order="S"/>
                  <bond atomRefs2="a29 a89" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a73" order="S"/>
                  <bond atomRefs2="a30 a78" order="S"/>
                  <bond atomRefs2="a30 a61" order="S"/>
                  <bond atomRefs2="a30 a84" order="S"/>
                  <bond atomRefs2="a30 a80" order="S"/>
                  <bond atomRefs2="a30 a79" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a82" order="S"/>
                  <bond atomRefs2="a31 a87" order="S"/>
                  <bond atomRefs2="a31 a86" order="S"/>
                  <bond atomRefs2="a31 a79" order="S"/>
                  <bond atomRefs2="a31 a80" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a77" order="S"/>
                  <bond atomRefs2="a32 a81" order="S"/>
                  <bond atomRefs2="a32 a58" order="S"/>
                  <bond atomRefs2="a32 a64" order="S"/>
                  <bond atomRefs2="a32 a65" order="S"/>
                  <bond atomRefs2="a32 a83" order="S"/>
                  <bond atomRefs2="a32 a76" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a85" order="S"/>
                  <bond atomRefs2="a33 a67" order="S"/>
                  <bond atomRefs2="a33 a79" order="S"/>
                  <bond atomRefs2="a33 a86" order="S"/>
                  <bond atomRefs2="a33 a84" order="S"/>
                  <bond atomRefs2="a34 a88" order="S"/>
                  <bond atomRefs2="a34 a86" order="S"/>
                  <bond atomRefs2="a34 a85" order="S"/>
                  <bond atomRefs2="a35 a87" order="S"/>
                  <bond atomRefs2="a35 a64" order="S"/>
                  <bond atomRefs2="a35 a89" order="S"/>
                  <bond atomRefs2="a35 a70" order="S"/>
                  <bond atomRefs2="a35 a71" order="S"/>
                  <bond atomRefs2="a35 a82" order="S"/>
                  <bond atomRefs2="a35 a83" order="S"/>
               </bondArray>
               <formula concise="Ce27O54Pt8">
                  <atomArray count="27 54 8" elementType="Ce O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">6207.723599999984</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/27Ce.54O.8Pt">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;1;2;3;4;5;6;7;8/rA:89PtPtPtPtPtPtPtPtCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeO1O4OO1OOOO4O3O1O3OOO3O3O1O3OOO4O3O1O3OO3O4O4O4O4O4O3O3O4O4O4O3OO3O3O1O3OO3O3O4O4O4O3O3OO4O4O3O3/rB:s1;s1;s2;s2s4;s1s2s3s4s5;s1s3s5s6;s5s7;;;s5s6s7;;s11s12;s11s12s13;s12s13;s13s15;s10;s12s14;s11s13s14s18;s16;s12s13s15s18s19;s13s16s19s21;s12s14s18;s15s16s21s22;s16s20s22s24;s3s11s13s16s20s22;s18s19s21;s10s19s22s27;s17s20s25;s21s22s24s27s28;s10s17s22s25s28s30;s4s10s11s19s22s26s28;s24s25s30s31;s17s25s29s31s33;s10s17s20s22s25s26s29s31s32;s23;s12s14s18s23;s14s23;s9;s11s14;s8s9;s12s23;s12s13s15s21;s12s13s14;s14;s11s13s26;s7s11;s12s15;s15s16s24;s13s15s16;s13;s16s20s26;s3s26;s18s23;s18s19s21s27;s14s18s19;s14;s11s19s32;s5s11;s12s18s21;s21s22s24s30;s13s19s21s22;s11s13s14s19;s22s26s32s35;s6s11s26s32;s15s21s24;s24s25s33;s16s22s24s25;s13s16s22s26;s20s25s29s35;s20s26s35;s18s27;s27s28s30;s19s27s28;s19;s10s28s32;s4s32;s21s27s30;s30s31s33;s22s28s30s31;s19s22s28s32;s10s17s31s35;s10s32s35;s24s30s33;s33s34;s25s31s33s34;s22s25s31s35;s17s29s34;s17s29s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
