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                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a38" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
               </bondArray>
               <formula concise="CCo36O2">
                  <atomArray count="1 36 2" elementType="C Co O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2165.6046999999985</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</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">340.0000</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">0.03</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: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:vdwversion">
                  <scalar dataType="xsd:integer">2</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="4">PAW_PBE Co 02Aug2007|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Co O C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">58.93 16.00 12.01 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">9.00 6.00 4.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">36 1 1 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 5 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:finalization" id="finalization">
            <propertyList/>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.53</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.530000000002751</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Co"
                        id="a1"
                        x3="7.5300"
                        xFract="0.88888889"
                        y3="1.44914918"
                        yFract="0.22222222"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Co"
                        id="a2"
                        x3="2.5100"
                        xFract="0.22222222"
                        y3="1.44914918"
                        yFract="0.22222222"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Co"
                        id="a3"
                        x3="5.0200"
                        xFract="0.55555556"
                        y3="1.44914918"
                        yFract="0.22222222"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Co"
                        id="a4"
                        x3="8.7850"
                        xFract="0.88888889"
                        y3="3.62287294"
                        yFract="0.55555556"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Co"
                        id="a5"
                        x3="3.7650"
                        xFract="0.22222222"
                        y3="3.62287294"
                        yFract="0.55555556"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Co"
                        id="a6"
                        x3="6.2750"
                        xFract="0.55555556"
                        y3="3.62287294"
                        yFract="0.55555556"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Co"
                        id="a7"
                        x3="10.0400"
                        xFract="0.88888889"
                        y3="5.7965967"
                        yFract="0.88888889"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Co"
                        id="a8"
                        x3="5.0200"
                        xFract="0.22222222"
                        y3="5.7965967"
                        yFract="0.88888889"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Co"
                        id="a9"
                        x3="7.5300"
                        xFract="0.55555556"
                        y3="5.7965967"
                        yFract="0.88888889"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Co"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.03561"
                        zFract="0.1017805"/>
                  <atom elementType="Co"
                        id="a11"
                        x3="2.5100"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.03561"
                        zFract="0.1017805"/>
                  <atom elementType="Co"
                        id="a12"
                        x3="5.0200"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.03561"
                        zFract="0.1017805"/>
                  <atom elementType="Co"
                        id="a13"
                        x3="1.2550"
                        xFract="-0.0000"
                        y3="2.17372376"
                        yFract="0.33333333"
                        z3="2.03561"
                        zFract="0.1017805"/>
                  <atom elementType="Co"
                        id="a14"
                        x3="3.7650"
                        xFract="0.33333333"
                        y3="2.17372376"
                        yFract="0.33333333"
                        z3="2.03561"
                        zFract="0.1017805"/>
                  <atom elementType="Co"
                        id="a15"
                        x3="6.2750"
                        xFract="0.66666667"
                        y3="2.17372376"
                        yFract="0.33333333"
                        z3="2.03561"
                        zFract="0.1017805"/>
                  <atom elementType="Co"
                        id="a16"
                        x3="2.5100"
                        xFract="0.0000"
                        y3="4.34744753"
                        yFract="0.66666667"
                        z3="2.03561"
                        zFract="0.1017805"/>
                  <atom elementType="Co"
                        id="a17"
                        x3="5.0200"
                        xFract="0.33333333"
                        y3="4.34744753"
                        yFract="0.66666667"
                        z3="2.03561"
                        zFract="0.1017805"/>
                  <atom elementType="Co"
                        id="a18"
                        x3="7.5300"
                        xFract="0.66666667"
                        y3="4.34744753"
                        yFract="0.66666667"
                        z3="2.03561"
                        zFract="0.1017805"/>
                  <atom elementType="Co"
                        id="a19"
                        x3="7.54088924"
                        xFract="0.89098926"
                        y3="1.44061613"
                        yFract="0.22091371"
                        z3="4.08079099"
                        zFract="0.20403955"/>
                  <atom elementType="Co"
                        id="a20"
                        x3="2.53834201"
                        xFract="0.22582677"
                        y3="1.45122724"
                        yFract="0.22254089"
                        z3="4.10653388"
                        zFract="0.20532669"/>
                  <atom elementType="Co"
                        id="a21"
                        x3="5.01679597"
                        xFract="0.55500088"
                        y3="1.45083393"
                        yFract="0.22248057"
                        z3="4.10200273"
                        zFract="0.20510014"/>
                  <atom elementType="Co"
                        id="a22"
                        x3="8.79327451"
                        xFract="0.89074179"
                        y3="3.61303862"
                        yFract="0.5540475"
                        z3="4.08106474"
                        zFract="0.20405324"/>
                  <atom elementType="Co"
                        id="a23"
                        x3="3.79153136"
                        xFract="0.22676546"
                        y3="3.60957216"
                        yFract="0.55351592"
                        z3="4.14344291"
                        zFract="0.20717215"/>
                  <atom elementType="Co"
                        id="a24"
                        x3="6.2673259"
                        xFract="0.55451063"
                        y3="3.62320932"
                        yFract="0.55560714"
                        z3="4.11314643"
                        zFract="0.20565732"/>
                  <atom elementType="Co"
                        id="a25"
                        x3="10.04977803"
                        xFract="0.8905038"
                        y3="5.79247052"
                        yFract="0.88825615"
                        z3="4.0783444"
                        zFract="0.20391722"/>
                  <atom elementType="Co"
                        id="a26"
                        x3="5.02741155"
                        xFract="0.22465888"
                        y3="5.77765422"
                        yFract="0.88598412"
                        z3="4.10694242"
                        zFract="0.20534712"/>
                  <atom elementType="Co"
                        id="a27"
                        x3="7.5391138"
                        xFract="0.55753521"
                        y3="5.78656292"
                        yFract="0.88735024"
                        z3="4.08265563"
                        zFract="0.20413278"/>
                  <atom elementType="Co"
                        id="a28"
                        x3="3.76307036"
                        xFract="-0.00070142"
                        y3="6.52697728"
                        yFract="1.00089033"
                        z3="6.0151487"
                        zFract="0.30075744"/>
                  <atom elementType="Co"
                        id="a29"
                        x3="6.28459912"
                        xFract="0.33482167"
                        y3="6.51838606"
                        yFract="0.99957289"
                        z3="6.01133652"
                        zFract="0.30056683"/>
                  <atom elementType="Co"
                        id="a30"
                        x3="8.79444047"
                        xFract="0.66867438"
                        y3="6.51133743"
                        yFract="0.99849201"
                        z3="6.00544465"
                        zFract="0.30027223"/>
                  <atom elementType="Co"
                        id="a31"
                        x3="8.78453884"
                        xFract="1.00017449"
                        y3="2.17064929"
                        yFract="0.33286187"
                        z3="6.01396237"
                        zFract="0.30069812"/>
                  <atom elementType="Co"
                        id="a32"
                        x3="3.76712345"
                        xFract="0.3352175"
                        y3="2.15282771"
                        yFract="0.33012899"
                        z3="6.13023189"
                        zFract="0.30651159"/>
                  <atom elementType="Co"
                        id="a33"
                        x3="6.31319299"
                        xFract="0.67329119"
                        y3="2.15347663"
                        yFract="0.3302285"
                        z3="6.00782227"
                        zFract="0.30039111"/>
                  <atom elementType="Co"
                        id="a34"
                        x3="10.02133907"
                        xFract="0.9956823"
                        y3="4.37143872"
                        yFract="0.67034564"
                        z3="6.01205576"
                        zFract="0.30060279"/>
                  <atom elementType="Co"
                        id="a35"
                        x3="5.0513548"
                        xFract="0.33663329"
                        y3="4.35871647"
                        yFract="0.66839472"
                        z3="6.16663048"
                        zFract="0.30833152"/>
                  <atom elementType="Co"
                        id="a36"
                        x3="7.5568208"
                        xFract="0.67041769"
                        y3="4.34498033"
                        yFract="0.66628833"
                        z3="6.01144266"
                        zFract="0.30057213"/>
                  <atom elementType="O"
                        id="a37"
                        x3="5.08655642"
                        xFract="0.33484995"
                        y3="4.44294638"
                        yFract="0.6813111"
                        z3="8.32235785"
                        zFract="0.41611789"/>
                  <atom elementType="C"
                        id="a38"
                        x3="4.49294389"
                        xFract="0.33149148"
                        y3="3.45858164"
                        yFract="0.53036203"
                        z3="7.847346"
                        zFract="0.3923673"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.87765221"
                        xFract="0.32734256"
                        y3="2.44697682"
                        yFract="0.37523578"
                        z3="8.23234862"
                        zFract="0.41161743"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a18" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a20" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a23" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a24" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a24" order="S"/>
                  <bond atomRefs2="a19 a33" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a21 a32" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a22 a36" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a27" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a36" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a38" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a38" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
               </bondArray>
               <formula concise="CCo36O2">
                  <atomArray count="1 36 2" elementType="C Co O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2165.6046999999985</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
