<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-09-15T03:57:41.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.111229</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">90.0</scalar>
               </crystal>
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                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a2"
                        x3="4.0556145"
                        xFract="0.3750"
                        y3="1.35187153"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a3"
                        x3="6.7593575"
                        xFract="0.6250"
                        y3="1.35187153"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a4"
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                        xFract="0.8750"
                        y3="1.35187153"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.1250"
                        y3="4.0556145"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a6"
                        x3="4.0556145"
                        xFract="0.3750"
                        y3="4.0556145"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a7"
                        x3="6.7593575"
                        xFract="0.6250"
                        y3="4.0556145"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a8"
                        x3="9.4631005"
                        xFract="0.8750"
                        y3="4.0556145"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a9"
                        x3="1.3518715"
                        xFract="0.1250"
                        y3="6.75935747"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a10"
                        x3="4.0556145"
                        xFract="0.3750"
                        y3="6.75935747"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
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                        x3="6.7593575"
                        xFract="0.6250"
                        y3="6.75935747"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a12"
                        x3="9.4631005"
                        xFract="0.8750"
                        y3="6.75935747"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a13"
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                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.911835"
                        zFract="0.09559175"/>
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                        id="a14"
                        x3="2.703743"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.911835"
                        zFract="0.09559175"/>
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                        id="a15"
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                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
                        id="a16"
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                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
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                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.70374297"
                        yFract="0.33333333"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
                        id="a18"
                        x3="2.703743"
                        xFract="0.2500"
                        y3="2.70374297"
                        yFract="0.33333333"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
                        id="a19"
                        x3="5.407486"
                        xFract="0.5000"
                        y3="2.70374297"
                        yFract="0.33333333"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
                        id="a20"
                        x3="8.111229"
                        xFract="0.7500"
                        y3="2.70374297"
                        yFract="0.33333333"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
                        id="a21"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.40748603"
                        yFract="0.66666667"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
                        id="a22"
                        x3="2.703743"
                        xFract="0.2500"
                        y3="5.40748603"
                        yFract="0.66666667"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
                        id="a23"
                        x3="5.407486"
                        xFract="0.5000"
                        y3="5.40748603"
                        yFract="0.66666667"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
                        id="a24"
                        x3="8.111229"
                        xFract="0.7500"
                        y3="5.40748603"
                        yFract="0.66666667"
                        z3="1.911835"
                        zFract="0.09559175"/>
                  <atom elementType="Rh"
                        id="a25"
                        x3="1.36258005"
                        xFract="0.12599016"
                        y3="1.34324986"
                        yFract="0.16560374"
                        z3="3.8076298"
                        zFract="0.19038149"/>
                  <atom elementType="Rh"
                        id="a26"
                        x3="4.04642156"
                        xFract="0.37414998"
                        y3="1.36096194"
                        yFract="0.16778739"
                        z3="3.8052352"
                        zFract="0.19026176"/>
                  <atom elementType="Rh"
                        id="a27"
                        x3="6.75008918"
                        xFract="0.62414301"
                        y3="1.37917741"
                        yFract="0.1700331"
                        z3="3.8150166"
                        zFract="0.19075083"/>
                  <atom elementType="Rh"
                        id="a28"
                        x3="9.47946345"
                        xFract="0.87651299"
                        y3="1.35626181"
                        yFract="0.16720793"
                        z3="3.7923808"
                        zFract="0.18961904"/>
                  <atom elementType="Rh"
                        id="a29"
                        x3="1.38677736"
                        xFract="0.12822755"
                        y3="4.07492709"
                        yFract="0.50238097"
                        z3="3.845906"
                        zFract="0.1922953"/>
                  <atom elementType="Rh"
                        id="a30"
                        x3="4.06295397"
                        xFract="0.37567864"
                        y3="4.05858248"
                        yFract="0.50036591"
                        z3="3.8026482"
                        zFract="0.19013241"/>
                  <atom elementType="Rh"
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                        xFract="0.62709753"
                        y3="4.07042974"
                        yFract="0.50182651"
                        z3="3.7955392"
                        zFract="0.18977696"/>
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                        id="a32"
                        x3="9.50715821"
                        xFract="0.87907377"
                        y3="4.05183069"
                        yFract="0.49953351"
                        z3="3.8029766"
                        zFract="0.19014883"/>
                  <atom elementType="Rh"
                        id="a33"
                        x3="1.36638141"
                        xFract="0.12634165"
                        y3="6.74435064"
                        yFract="0.8314832"
                        z3="3.8164376"
                        zFract="0.19082188"/>
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                        id="a34"
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                        xFract="0.37528419"
                        y3="6.77397983"
                        yFract="0.83513606"
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                        zFract="0.18958355"/>
                  <atom elementType="Rh"
                        id="a35"
                        x3="6.78705551"
                        xFract="0.62756108"
                        y3="6.79530595"
                        yFract="0.83776527"
                        z3="3.8000156"
                        zFract="0.19000078"/>
                  <atom elementType="Rh"
                        id="a36"
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                        xFract="0.87722905"
                        y3="6.76492616"
                        yFract="0.83401987"
                        z3="3.787371"
                        zFract="0.18936855"/>
                  <atom elementType="Rh"
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                        yFract="0.00029717"
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                        zFract="0.28238138"/>
                  <atom elementType="Rh"
                        id="a38"
                        x3="2.71013303"
                        xFract="0.25059085"
                        y3="8.06603372"
                        yFract="0.99442806"
                        z3="5.651767"
                        zFract="0.28258835"/>
                  <atom elementType="Rh"
                        id="a39"
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                        xFract="0.50048092"
                        y3="0.03457225"
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                        zFract="0.2812623"/>
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                        yFract="0.00099128"
                        z3="5.6324014"
                        zFract="0.28162007"/>
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                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a26 a42" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a39" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a27 a40" order="S"/>
                  <bond atomRefs2="a27 a43" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a44" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a43" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a47" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a48" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a56" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a47 a57" order="S"/>
                  <bond atomRefs2="a49 a55" order="S"/>
                  <bond atomRefs2="a50 a55" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
               </bondArray>
               <formula concise="C4H6Rh48">
                  <atomArray count="4 6 48" elementType="C H Rh"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4987.506799999996</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</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">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</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">454.0000</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="3">PAW_PBE Rh 04Feb2005|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002</array>
                  <array dictRef="cc:atomType" size="3">Rh H C</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">102.906 1.000 12.011</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">9.000 1.000 4.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">48 6 4</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="5">1 2 3 4 5</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-385.58844026</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-385.53630477</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-385.56237251</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">1.6521</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.6769633E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.814972001</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.111229</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">90.0</scalar>
               </crystal>
               <atomArray>
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                        id="a1"
                        x3="1.35187"
                        xFract="0.12499986"
                        y3="1.35187"
                        yFract="0.16666648"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a2"
                        x3="4.05561"
                        xFract="0.37499958"
                        y3="1.35187"
                        yFract="0.16666648"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a3"
                        x3="6.75936"
                        xFract="0.62500023"
                        y3="1.35187"
                        yFract="0.16666648"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a4"
                        x3="9.4631"
                        xFract="0.87499995"
                        y3="1.35187"
                        yFract="0.16666648"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a5"
                        x3="1.35187"
                        xFract="0.12499986"
                        y3="4.05561"
                        yFract="0.49999945"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a6"
                        x3="4.05561"
                        xFract="0.37499958"
                        y3="4.05561"
                        yFract="0.49999945"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a7"
                        x3="6.75936"
                        xFract="0.62500023"
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                        yFract="0.49999945"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a8"
                        x3="9.4631"
                        xFract="0.87499995"
                        y3="4.05561"
                        yFract="0.49999945"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a9"
                        x3="1.35187"
                        xFract="0.12499986"
                        y3="6.75936"
                        yFract="0.83333364"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a10"
                        x3="4.05561"
                        xFract="0.37499958"
                        y3="6.75936"
                        yFract="0.83333364"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a11"
                        x3="6.75936"
                        xFract="0.62500023"
                        y3="6.75936"
                        yFract="0.83333364"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a12"
                        x3="9.4631"
                        xFract="0.87499995"
                        y3="6.75936"
                        yFract="0.83333364"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Rh"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a14"
                        x3="2.70374"
                        xFract="0.24999972"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a15"
                        x3="5.40749"
                        xFract="0.50000037"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a16"
                        x3="8.11123"
                        xFract="0.75000009"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a17"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.70374"
                        yFract="0.33333296"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a18"
                        x3="2.70374"
                        xFract="0.24999972"
                        y3="2.70374"
                        yFract="0.33333296"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a19"
                        x3="5.40749"
                        xFract="0.50000037"
                        y3="2.70374"
                        yFract="0.33333296"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a20"
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                        y3="2.70374"
                        yFract="0.33333296"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a21"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.40749"
                        yFract="0.66666716"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a22"
                        x3="2.70374"
                        xFract="0.24999972"
                        y3="5.40749"
                        yFract="0.66666716"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a23"
                        x3="5.40749"
                        xFract="0.50000037"
                        y3="5.40749"
                        yFract="0.66666716"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a24"
                        x3="8.11123"
                        xFract="0.75000009"
                        y3="5.40749"
                        yFract="0.66666716"
                        z3="1.91184"
                        zFract="0.095592"/>
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                        id="a25"
                        x3="1.35217"
                        xFract="0.1250276"
                        y3="1.34046"
                        yFract="0.16525979"
                        z3="3.80312"
                        zFract="0.190156"/>
                  <atom elementType="Rh"
                        id="a26"
                        x3="4.05556"
                        xFract="0.37499496"
                        y3="1.36263"
                        yFract="0.16799304"
                        z3="3.82098"
                        zFract="0.191049"/>
                  <atom elementType="Rh"
                        id="a27"
                        x3="6.75917"
                        xFract="0.62498266"
                        y3="1.34047"
                        yFract="0.16526102"
                        z3="3.80234"
                        zFract="0.190117"/>
                  <atom elementType="Rh"
                        id="a28"
                        x3="9.46327"
                        xFract="0.87501567"
                        y3="1.34513"
                        yFract="0.16583553"
                        z3="3.79689"
                        zFract="0.1898445"/>
                  <atom elementType="Rh"
                        id="a29"
                        x3="1.34606"
                        xFract="0.12446264"
                        y3="4.05559"
                        yFract="0.49999698"
                        z3="3.81305"
                        zFract="0.1906525"/>
                  <atom elementType="Rh"
                        id="a30"
                        x3="4.05605"
                        xFract="0.37504027"
                        y3="4.05584"
                        yFract="0.5000278"
                        z3="3.80645"
                        zFract="0.1903225"/>
                  <atom elementType="Rh"
                        id="a31"
                        x3="6.76603"
                        xFract="0.62561697"
                        y3="4.05552"
                        yFract="0.49998835"
                        z3="3.81277"
                        zFract="0.1906385"/>
                  <atom elementType="Rh"
                        id="a32"
                        x3="9.46363"
                        xFract="0.87504896"
                        y3="4.05521"
                        yFract="0.49995013"
                        z3="3.81727"
                        zFract="0.1908635"/>
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                        id="a33"
                        x3="1.35233"
                        xFract="0.12504239"
                        y3="6.77152"
                        yFract="0.8348328"
                        z3="3.80223"
                        zFract="0.1901115"/>
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                        id="a34"
                        x3="4.05603"
                        xFract="0.37503842"
                        y3="6.74979"
                        yFract="0.8321538"
                        z3="3.82054"
                        zFract="0.191027"/>
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                        id="a35"
                        x3="6.76004"
                        xFract="0.62506311"
                        y3="6.77182"
                        yFract="0.83486978"
                        z3="3.80231"
                        zFract="0.1901155"/>
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                        id="a36"
                        x3="9.46365"
                        xFract="0.87505081"
                        y3="6.76536"
                        yFract="0.83407336"
                        z3="3.79709"
                        zFract="0.1898545"/>
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                        id="a37"
                        x3="0.00727"
                        xFract="0.00067222"
                        y3="-0.0003"
                        yFract="-0.00003699"
                        z3="5.64241"
                        zFract="0.2821205"/>
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                        id="a38"
                        x3="2.69679"
                        xFract="0.24935709"
                        y3="0.00036"
                        yFract="0.00004438"
                        z3="5.64544"
                        zFract="0.282272"/>
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                        id="a39"
                        x3="5.41523"
                        xFract="0.50071604"
                        y3="0.00023"
                        yFract="0.00002836"
                        z3="5.64536"
                        zFract="0.282268"/>
                  <atom elementType="Rh"
                        id="a40"
                        x3="8.10501"
                        xFract="0.74942496"
                        y3="0.0002"
                        yFract="0.00002466"
                        z3="5.64244"
                        zFract="0.282122"/>
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                        id="a41"
                        x3="-0.01085"
                        xFract="-0.00100324"
                        y3="2.69042"
                        yFract="0.3316908"
                        z3="5.6408"
                        zFract="0.28204"/>
                  <atom elementType="Rh"
                        id="a42"
                        x3="2.69524"
                        xFract="0.24921378"
                        y3="2.7214"
                        yFract="0.33551019"
                        z3="5.73054"
                        zFract="0.286527"/>
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                        id="a43"
                        x3="5.41784"
                        xFract="0.50095738"
                        y3="2.71978"
                        yFract="0.33531047"
                        z3="5.72877"
                        zFract="0.2864385"/>
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                        id="a44"
                        x3="8.12253"
                        xFract="0.75104494"
                        y3="2.69077"
                        yFract="0.33173395"
                        z3="5.64083"
                        zFract="0.2820415"/>
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                        id="a45"
                        x3="-0.00994"
                        xFract="-0.0009191"
                        y3="5.42057"
                        yFract="0.66827974"
                        z3="5.64042"
                        zFract="0.282021"/>
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                        zFract="0.286309"/>
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                        zFract="0.2820065"/>
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                        yFract="0.3964467"
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                        zFract="0.414929"/>
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                        yFract="0.39052528"
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                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a19" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a3 a16" order="S"/>
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                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a20" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a5 a22" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a23" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a19" order="S"/>
                  <bond atomRefs2="a7 a24" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a25" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a26" order="S"/>
                  <bond atomRefs2="a14 a25" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a26" order="S"/>
                  <bond atomRefs2="a16 a27" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a17 a29" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a18 a29" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a18 a30" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a26" order="S"/>
                  <bond atomRefs2="a19 a30" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a20 a27" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a29" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a33" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a41" order="S"/>
                  <bond atomRefs2="a25 a37" order="S"/>
                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a26 a42" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a26 a39" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a40" order="S"/>
                  <bond atomRefs2="a27 a43" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a44" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a30 a43" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a47" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a48" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a56" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a57" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a56" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a57" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a55" order="S"/>
                  <bond atomRefs2="a50 a55" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a58" order="S"/>
                  <bond atomRefs2="a55 a56" order="S"/>
                  <bond atomRefs2="a56 a57" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
               </bondArray>
               <formula concise="C4H6Rh48">
                  <atomArray count="4 6 48" elementType="C H Rh"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4987.506799999996</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
