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                  <bond atomRefs2="a97 a105" order="S"/>
                  <bond atomRefs2="a98 a104" order="S"/>
                  <bond atomRefs2="a98 a99" order="S"/>
                  <bond atomRefs2="a98 a105" order="S"/>
                  <bond atomRefs2="a98 a106" order="S"/>
                  <bond atomRefs2="a98 a100" order="S"/>
                  <bond atomRefs2="a99 a107" order="S"/>
                  <bond atomRefs2="a99 a105" order="S"/>
                  <bond atomRefs2="a99 a100" order="S"/>
                  <bond atomRefs2="a100 a106" order="S"/>
                  <bond atomRefs2="a100 a108" order="S"/>
                  <bond atomRefs2="a100 a107" order="S"/>
                  <bond atomRefs2="a101 a103" order="S"/>
                  <bond atomRefs2="a101 a102" 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 a108" order="S"/>
               </bondArray>
               <formula concise="Ce32O70Pt6">
                  <atomArray count="32 70 6" elementType="Ce O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">6774.138</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Ce.70O.6Pt">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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;107;108;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/rA:108O3OOO3O3OO1OO1O1O3OOOO3OOOO3OOOO1O4O3OOO4O4O3OO4O4O3OO3O4O3O1O4O1OO3O4O4O4O3O4O4O4O3O3O4O4O1O4O1OO3O4O4O3O3O4O4O4O3O3O4O3PtPtPtPtPtPtCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCe/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s2s3;s3s5s6s66;s1s2s4s50;s4s6s73;s4s46s74;s1s5s54s71;s11s56;s8s13s25s30;s11s15s60s77;s12s13s29s30s34s78;s15s17s19s64s79;s16s33s34s38s80;s7s19s21s68s81;s9s20s26s37s38s82;s8s24s25s27s78;s24s25s29s30s46s78s80s85;s12s24s27s28s29s31s43s80s85s86;s28s29s33s34s45s46s50s75s80s82s86s87;s16s28s31s32s33s35s47s82s87s88;s1s32s33s37s38s49s50s54s73s76s82s84s88s89;s20s23s32s35s36s37s51s84s89s90;s26s36s37s42s53s54s84s90s91;s24s40s43s85s86s87;s40s45s46s62s75s86s88s93;s28s40s43s44s45s47s59s87s88s89s93s94;s44s45s49s50s61s62s66s74s88s90s94s95;s32s44s47s48s49s51s63s89s90s91s95s96;s5s48s49s53s54s65s66s70s76s90s92s96s97;s36s39s48s51s52s53s67s91s92s97s98;s41s42s52s53s58s69s70s92s98s99;s40s56s59s77s93s94s95;s14s56s61s62s77s94s96s101;s11s44s56s59s60s61s63s77s79s95s96s97s101s102;s14s18s60s61s65s66s79s96s98s102s103;s15s48s60s63s64s65s67s79s81s97s98s99s103s104;s17s18s22s64s65s69s70s81s98s100s104s105;s19s52s55s64s67s68s69s81s83s99s100s105s106;s10s21s22s57s58s68s69s83s100s106s107;/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">864.0000</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">70 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>
