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               <formula concise="CCe3Co64Ni64O12Sm">
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               <parameter dictRef="v:ispin">
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               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
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               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E-01</scalar>
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               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
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               <parameter dictRef="v:potim">
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               <parameter dictRef="cc:temp">
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               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">1339.0000</scalar>
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               <parameter dictRef="v:nupdown">
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               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
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               <parameter dictRef="v:sigma">
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               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
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               <parameter dictRef="v:ldau">
                  <scalar>true</scalar>
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               <parameter dictRef="v:ldautype">
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               <parameter dictRef="v:gga">
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               <parameter dictRef="v:lexch">
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               <parameter dictRef="v:voskown">
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               <parameter dictRef="v:lhfcalc">
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               <parameter dictRef="v:lhfone">
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               <parameter dictRef="v:ldauj">
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                         dictRef="v:pseudopotential"
                         size="7">PAW_PBE Ni 02Aug2007|PAW_PBE Co 02Aug2007|PAW_PBE O 08Apr2002|PAW_PBE Ce 23Dec2003|PAW_PBE Sm_3 07Sep2000|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
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         <module dictRef="cc:calculation" id="calculation"/>
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">13.9033384264</scalar>
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                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.0000"
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                        z3="0.0000"
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                        y3="0.0000"
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                        z3="0.0000"
                        zFract="0.0000"/>
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                        zFract="0.0000"/>
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         </module>
      </module>
   </module>
</module>
