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                  <bond atomRefs2="a32 a89" order="S"/>
                  <bond atomRefs2="a32 a94" order="S"/>
                  <bond atomRefs2="a32 a95" order="S"/>
                  <bond atomRefs2="a32 a86" order="S"/>
                  <bond atomRefs2="a32 a104" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a87" order="S"/>
                  <bond atomRefs2="a33 a96" order="S"/>
                  <bond atomRefs2="a33 a90" order="S"/>
                  <bond atomRefs2="a33 a95" order="S"/>
                  <bond atomRefs2="a33 a107" order="S"/>
                  <bond atomRefs2="a34 a88" order="S"/>
                  <bond atomRefs2="a34 a99" order="S"/>
                  <bond atomRefs2="a34 a105" order="S"/>
                  <bond atomRefs2="a34 a97" order="S"/>
                  <bond atomRefs2="a34 a106" order="S"/>
                  <bond atomRefs2="a35 a98" order="S"/>
                  <bond atomRefs2="a35 a83" order="S"/>
                  <bond atomRefs2="a35 a101" order="S"/>
                  <bond atomRefs2="a36 a90" order="S"/>
                  <bond atomRefs2="a36 a107" order="S"/>
               </bondArray>
               <formula concise="Ce36O71">
                  <atomArray count="36 71" elementType="Ce O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">6180.133399999979</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/36Ce.71O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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;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/rA:107CeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeCeO1OOO1OOO1OOO4OO4O3O3O3O4O3O4O4O3O4O3O3O3O4OO4O3O3OO3O4O4O4O4O3O4O4OO4O4OO3O1O1O3O4OO3O4O4O4O3O3O4O4OO4O4OOOOO1OO1OOOO1O/rB:s1;s2;s1;s2s4;s3s5;s4;s5s7;s6s8;s1s4;s1s2s4s5s10;s2s3s5s6s11;s4s7s10;s4s5s7s8s11s13;s5s6s8s9s12s14;s7s13;s7s8s14s16;s8s9s15s17;s10s11;s11s12s19;s10s19;s10s11s13s14s19;s11s12s14s15s20s22;s12s15s23;s13s14s16s17s22;s14s15s17s18s23s25;s13s16s25;s19s21s22;s22s28;s20s23s24;s22s25s27;s22s23s25s26s29s31;s23s24s26s32;s25s31;s19s20s29;s26s33;s1;s1s2;s2s3;s4;s4s5;s5s6;s7;s7s8;s8s9;s1s4s10s11;s1s10;s2s5s11s12;s1s2s11;s3s6s12;s2s3s12;s4s7s13s14;s4s10s13;s5s8s14s15;s4s5s11s14;s6s9s15;s5s6s12s15;s7s16s17;s7s13s16;s8s17s18;s7s8s14s17;s9s18;s8s9s15s18;s10s19s21;s11s19s20;s12s20;s10s13s22;s11s14s22s23;s12s15s23s24;s13s16s25s27;s14s17s25s26;s15s18s26;s10s11s19s22;s11s12s20s23;s12s24;s13s14s22s25;s14s15s23s26;s15s24;s16s17s25;s20;s18;s19s21s28;s19s20s29s35;s20s30;s22s28s31;s22s23s29s32;s23s24s30s33;s25s27s31s34;s25s26s32;s26s33s36;s19s22s28s29;s20s23s29s30;s24s30;s22s25s31s32;s23s26s32s33;s24s33;s25s34;s20s35;s27s34;s28;s29s35;s30;s28s29;s29s32;s31s34;s34;s33s36;/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-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</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">858.0000</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">0.05</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:ldau">
                  <scalar>true</scalar>
               </parameter>
               <parameter dictRef="v:ldautype">
                  <scalar dataType="xsd:integer">2</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:ldaul">
                  <array dataType="xsd:integer" size="2">3 -1</array>
               </parameter>
               <parameter dictRef="v:ldauu">
                  <array dataType="xsd:double" size="2">5.5 0.0</array>
               </parameter>
               <parameter dictRef="v:ldauj">
                  <array dataType="xsd:double" size="2">1.0 0.0</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="2">PAW_PBE Ce 23Dec2003|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Ce O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">140.115 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">12.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">36 71</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">1 1 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</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="1">1</array>
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                  </list>
                  <list id="spin">
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</module>
