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                  <bond atomRefs2="a101 a103" order="S"/>
                  <bond atomRefs2="a102 a103" order="S"/>
                  <bond atomRefs2="a102 a104" order="S"/>
                  <bond atomRefs2="a103 a104" order="S"/>
                  <bond atomRefs2="a103 a105" order="S"/>
                  <bond atomRefs2="a104 a105" order="S"/>
                  <bond atomRefs2="a104 a106" order="S"/>
                  <bond atomRefs2="a105 a106" order="S"/>
               </bondArray>
               <formula concise="Ce32O68Pt6">
                  <atomArray count="32 68 6" elementType="Ce O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">6742.1392000000005</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Ce.68O.6Pt">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;97;98;99;100;101;102;103;104;105;106;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74/rA:106OOO3OO1OOO1O3OOOO3OOOO3OOOO1O4O3OOO4O4O3OO4O4O3OO3O4O4O1O4O3OO3O4O4O3O3O4O4O4O3O3O4O3O1O4O1OO3O4O4O3O3O4O4O4O3O3O4O4PtPtPtPtPtPtCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s1s2;s3s64;s1s4s69s70;s4s68s70;s2s36;s3s48s69s73;s7s9s54;s6s11s23s28;s9s13s58s75;s10s11s15s27s28s32s76;s13s17s62s77;s14s15s19s31s32s36s78;s5s17s66s79;s18s19s24s35s36s80;s6s22s23s25s76;s22s23s27s28s39s44s76s78s83;s10s22s25s26s27s29s41s78s83s84;s26s27s31s32s43s44s48s78s80s84s85;s14s26s29s30s31s33s45s80s85s86;s30s31s35s36s47s48s52s73s74s80s82s86s87;s18s21s30s33s34s35s49s82s87s88;s24s34s35s40s51s52s82s88s89;s22s38s39s41s83s84s85;s38s39s43s44s60s84s86s91;s26s38s41s42s43s45s57s85s86s87s91s92;s3s42s43s47s48s59s60s64s86s88s92s93;s30s42s45s46s47s49s61s87s88s89s93s94;s46s47s51s52s63s64s68s70s72s88s90s94s95;s34s37s46s49s50s51s65s89s90s95s96;s40s50s51s56s67s68s90s96s97;s38s54s57s75s91s92s93;s7s12s54s59s60s75s92s94s99;s9s42s54s57s58s59s61s75s77s93s94s95s99s100;s12s16s58s59s63s64s77s94s96s100s101;s13s46s58s61s62s63s65s77s79s95s96s97s101s102;s16s20s62s63s67s68s79s96s98s102s103;s17s50s53s62s65s66s67s79s81s97s98s103s104;s8s20s55s56s66s67s81s98s104s105;/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">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-03</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E+00</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">852.0000</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>
               </parameter>
               <parameter dictRef="v:ldaul">
                  <array dataType="xsd:integer" size="3">-1 -1 3</array>
               </parameter>
               <parameter dictRef="v:ldauu">
                  <array dataType="xsd:double" size="3">0.000 0.000 4.000</array>
               </parameter>
               <parameter dictRef="v:ldauj">
                  <array dataType="xsd:double" size="3">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="3">PAW_GGA O 05Jan2001|PAW_GGA Pt 05Jan2001|PAW_GGA Ce 29Sep2000</array>
                  <array dictRef="cc:atomType" size="3">O Pt Ce</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">16.000 195.080 140.115</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">6.000 10.000 12.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">68 6 32</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>
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</module>
