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                  <bond atomRefs2="a95 a97" order="S"/>
                  <bond atomRefs2="a95 a102" order="S"/>
                  <bond atomRefs2="a96 a104" order="S"/>
                  <bond atomRefs2="a96 a102" order="S"/>
                  <bond atomRefs2="a96 a98" order="S"/>
                  <bond atomRefs2="a96 a97" order="S"/>
                  <bond atomRefs2="a97 a99" order="S"/>
                  <bond atomRefs2="a97 a105" order="S"/>
                  <bond atomRefs2="a97 a98" order="S"/>
                  <bond atomRefs2="a97 a104" order="S"/>
                  <bond atomRefs2="a97 a103" order="S"/>
                  <bond atomRefs2="a98 a99" order="S"/>
                  <bond atomRefs2="a98 a100" order="S"/>
                  <bond atomRefs2="a98 a104" order="S"/>
                  <bond atomRefs2="a98 a106" order="S"/>
                  <bond atomRefs2="a99 a105" order="S"/>
                  <bond atomRefs2="a99 a106" order="S"/>
                  <bond atomRefs2="a99 a100" order="S"/>
                  <bond atomRefs2="a99 a101" order="S"/>
                  <bond atomRefs2="a99 a107" order="S"/>
                  <bond atomRefs2="a100 a108" order="S"/>
                  <bond atomRefs2="a100 a106" order="S"/>
                  <bond atomRefs2="a100 a101" order="S"/>
                  <bond atomRefs2="a101 a107" order="S"/>
                  <bond atomRefs2="a101 a109" order="S"/>
                  <bond atomRefs2="a101 a108" order="S"/>
                  <bond atomRefs2="a102 a104" order="S"/>
                  <bond atomRefs2="a102 a103" order="S"/>
                  <bond atomRefs2="a103 a105" order="S"/>
                  <bond atomRefs2="a103 a104" order="S"/>
                  <bond atomRefs2="a104 a106" order="S"/>
                  <bond atomRefs2="a104 a105" order="S"/>
                  <bond atomRefs2="a105 a107" order="S"/>
                  <bond atomRefs2="a105 a106" order="S"/>
                  <bond atomRefs2="a106 a108" order="S"/>
                  <bond atomRefs2="a106 a107" order="S"/>
                  <bond atomRefs2="a107 a109" order="S"/>
                  <bond atomRefs2="a107 a108" order="S"/>
                  <bond atomRefs2="a108 a109" order="S"/>
               </bondArray>
               <formula concise="Ce32O71Pt6">
                  <atomArray count="32 71 6" elementType="Ce O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">6790.1374000000005</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Ce.71O.6Pt">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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;107;108;109;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;75;76;77/rA:109O3O3O3O3O3O3O3O1OO1O1O3OOOO3OOOO3OOOO1O4O1O3OO4O4O3OO4O4O4OO3O4O4O1O4O1OO3O4O4O3O3O4O4O3O3O3O4O4O1O4O1OO3O4O4O3O3O4O4O4O3O3O4O3PtPtPtPtPtPtCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s1s2s4s39;s1s27s72;s2s4s6s35s72;s3s5s7s67;s3s4s5s6s75;s1s5s7s55s75;s12s57;s9s10s14s31;s12s16s61s78;s13s14s18s30s31s35s79;s16s20s65s80;s2s17s18s34s35s39s74s81;s8s20s22s69s82;s21s27s38s39s73s83;s9s25s28s79;s25s30s31s47s79s81s86;s13s25s28s29s30s32s44s81s86s87;s6s29s30s34s35s46s47s51s74s81s83s87s88;s17s29s32s33s34s36s48s83s88s89;s33s34s38s39s50s51s55s72s77s83s85s89s90;s21s24s33s36s37s38s52s85s90s91;s26s27s37s38s43s54s55s73s85s91s92;s25s41s44s86s87s88;s41s46s47s63s87s89s94;s29s41s44s45s46s48s60s88s89s90s94s95;s3s45s46s50s51s62s63s67s75s89s91s95s96;s33s45s48s49s50s52s64s90s91s92s96s97;s7s49s50s54s55s66s67s71s75s77s91s93s97s98;s37s40s49s52s53s54s68s92s93s98s99;s42s43s53s54s59s70s71s93s99s100;s41s57s60s78s94s95s96;s15s57s62s63s78s95s97s102;s12s45s57s60s61s62s64s78s80s96s97s98s102s103;s15s19s61s62s66s67s80s97s99s103s104;s16s49s61s64s65s66s68s80s82s98s99s100s104s105;s19s23s65s66s70s71s82s99s101s105s106;s20s53s56s65s68s69s70s82s84s100s101s106s107;s11s22s23s58s59s69s70s84s101s107s108;/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">-.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">870.0000</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: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">1</scalar>
               </parameter>
               <parameter dictRef="v:exxoep">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">true</scalar>
               </parameter>
               <parameter dictRef="v:lsymgrad">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:precfock">
                  <scalar dataType="xsd:string">normal</scalar>
               </parameter>
               <parameter dictRef="v:lrhfcalc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lrscor">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lthomas">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lmodelhf">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:encut4o">
                  <scalar dataType="xsd:string">-1.0</scalar>
               </parameter>
               <parameter dictRef="v:lmaxfock">
                  <scalar dataType="xsd:string">4</scalar>
               </parameter>
               <parameter dictRef="v:lmaxfockae">
                  <scalar dataType="xsd:string">-1</scalar>
               </parameter>
               <parameter dictRef="v:nmaxfockae">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:lfockaedft">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:nkredx">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:nkredy">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:nkredz">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:shiftred">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:hfkident">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:oddonly">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:evenonly">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:hfalpha">
                  <scalar dataType="xsd:string">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:mcalpha">
                  <scalar dataType="xsd:string">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.2500</scalar>
               </parameter>
               <parameter dictRef="v:hfscreen">
                  <scalar dataType="xsd:double">0.2000</scalar>
               </parameter>
               <parameter dictRef="v:hfscreenc">
                  <scalar dataType="xsd:string">0.2000</scalar>
               </parameter>
               <parameter dictRef="v:hfrcut">
                  <scalar dataType="xsd:string">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:aldax">
                  <scalar dataType="xsd:string">0.7500</scalar>
               </parameter>
               <parameter dictRef="v:aggax">
                  <scalar dataType="xsd:double">0.7500</scalar>
               </parameter>
               <parameter dictRef="v:aggac">
                  <scalar dataType="xsd:string">1.0000</scalar>
               </parameter>
               <parameter dictRef="v:nbandsgwlow">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:encutfock">
                  <scalar dataType="xsd:string">-1.0</scalar>
               </parameter>
               <parameter dictRef="v:lepsilon">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lrpa">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lnabla">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lvel">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:linterfast">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:kinter">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:cshift">
                  <scalar dataType="xsd:string">0.1000</scalar>
               </parameter>
               <parameter dictRef="v:omegamax">
                  <scalar dataType="xsd:string">-1.0</scalar>
               </parameter>
               <parameter dictRef="v:deg_threshold">
                  <scalar dataType="xsd:string">0.2000000E-02</scalar>
               </parameter>
               <parameter dictRef="v:rtime">
                  <scalar dataType="xsd:string">0.100</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="3">PAW_PBE O 08Apr2002|PAW_PBE Pt 05Jan2001|PAW_PBE Ce 28Sep2000</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">71 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>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
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                  <bond atomRefs2="a99 a106" order="S"/>
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                  <bond atomRefs2="a107 a108" order="S"/>
                  <bond atomRefs2="a108 a109" order="S"/>
               </bondArray>
               <formula concise="Ce32O71Pt6">
                  <atomArray count="32 71 6" elementType="Ce O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">6790.1374000000005</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Ce.71O.6Pt">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
