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                  <bond atomRefs2="a30 a99" order="S"/>
                  <bond atomRefs2="a30 a57" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a105" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a104" order="S"/>
                  <bond atomRefs2="a31 a103" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a31 a90" order="S"/>
                  <bond atomRefs2="a31 a87" order="S"/>
                  <bond atomRefs2="a31 a104" order="S"/>
                  <bond atomRefs2="a31 a102" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a99" order="S"/>
                  <bond atomRefs2="a32 a57" order="S"/>
                  <bond atomRefs2="a32 a45" order="S"/>
                  <bond atomRefs2="a32 a93" order="S"/>
                  <bond atomRefs2="a32 a103" order="S"/>
                  <bond atomRefs2="a32 a56" order="S"/>
                  <bond atomRefs2="a32 a104" order="S"/>
                  <bond atomRefs2="a33 a111" order="S"/>
                  <bond atomRefs2="a33 a108" order="S"/>
                  <bond atomRefs2="a34 a108" order="S"/>
                  <bond atomRefs2="a34 a106" order="S"/>
                  <bond atomRefs2="a34 a111" order="S"/>
                  <bond atomRefs2="a35 a110" order="S"/>
                  <bond atomRefs2="a35 a106" order="S"/>
                  <bond atomRefs2="a36 a108" order="S"/>
                  <bond atomRefs2="a36 a107" order="S"/>
                  <bond atomRefs2="a37 a111" order="S"/>
                  <bond atomRefs2="a37 a109" order="S"/>
                  <bond atomRefs2="a37 a106" order="S"/>
                  <bond atomRefs2="a38 a111" order="S"/>
                  <bond atomRefs2="a38 a109" order="S"/>
                  <bond atomRefs2="a39 a107" order="S"/>
                  <bond atomRefs2="a39 a106" order="S"/>
                  <bond atomRefs2="a40 a110" order="S"/>
                  <bond atomRefs2="a40 a109" order="S"/>
                  <bond atomRefs2="a41 a110" order="S"/>
                  <bond atomRefs2="a41 a107" order="S"/>
                  <bond atomRefs2="a77 a108" order="S"/>
                  <bond atomRefs2="a85 a109" order="S"/>
                  <bond atomRefs2="a101 a110" order="S"/>
                  <bond atomRefs2="a105 a107" order="S"/>
                  <bond atomRefs2="a106 a111" order="S"/>
               </bondArray>
               <formula concise="Ce32O73Pt6">
                  <atomArray count="32 73 6" elementType="Ce O Pt"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">6822.136199999981</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <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">0.5000</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">882.0000</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">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">3 -1 -1</array>
               </parameter>
               <parameter dictRef="v:ldauu">
                  <array dataType="xsd:double" size="3">4.000 0.000 0.000</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 Ce 29Sep2000|PAW_GGA O 05Jan2001|PAW_GGA Pt 05Jan2001</array>
                  <array dictRef="cc:atomType" size="3">Ce O Pt</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">140.115 16.000 195.080</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">12.000 6.000 10.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">32 73 6</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>
      </module>
   </module>
</module>
