<?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">2021-10-30T15:31:46.000</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">10.499384869541027</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>
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                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a3"
                        x3="3.49979497"
                        xFract="0.16666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
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                        xFract="0.83333333"
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                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.66666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="3.49979497"
                        xFract="0.0000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a8"
                        x3="6.12464114"
                        xFract="0.33333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a9"
                        x3="6.12464119"
                        xFract="0.16666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a10"
                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a11"
                        x3="11.37433357"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a12"
                        x3="11.37433363"
                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a14"
                        x3="2.62484627"
                        xFract="0.16666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        x3="5.24969238"
                        xFract="0.33333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a17"
                        x3="7.8745387"
                        xFract="0.66666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a19"
                        x3="2.62484622"
                        xFract="0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a21"
                        x3="7.8745386"
                        xFract="0.33333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.49938492"
                        xFract="0.66666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.12423103"
                        xFract="0.83333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="0.87171075"
                        xFract="0.00016477"
                        y3="1.50685088"
                        yFract="0.16572033"
                        z3="5.7617002"
                        zFract="0.28808501"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.50078874"
                        xFract="0.33206491"
                        y3="0.02478816"
                        yFract="0.00272615"
                        z3="5.6624006"
                        zFract="0.28312003"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.46662805"
                        xFract="0.16367737"
                        y3="3.02782633"
                        yFract="0.33299405"
                        z3="5.6638068"
                        zFract="0.28319034"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.13088197"
                        xFract="0.50128918"
                        y3="1.50282071"
                        yFract="0.1652771"
                        z3="5.6787676"
                        zFract="0.28393838"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.00913405"
                        xFract="0.83506556"
                        y3="9.07847389"
                        yFract="0.9984317"
                        z3="5.7237694"
                        zFract="0.28618847"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.77379553"
                        xFract="0.67054657"
                        y3="3.00245642"
                        yFract="0.33020392"
                        z3="5.6615806"
                        zFract="0.28307903"/>
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                        id="a31"
                        x3="13.98147825"
                        xFract="0.99820587"
                        y3="6.06378974"
                        yFract="0.666883"
                        z3="5.7367778"
                        zFract="0.28683889"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.11260863"
                        xFract="0.33153593"
                        y3="4.55821266"
                        yFract="0.50130276"
                        z3="5.6711502"
                        zFract="0.28355751"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.09199173"
                        xFract="0.16246793"
                        y3="7.59708384"
                        yFract="0.8355115"
                        z3="5.6572322"
                        zFract="0.28286161"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.75746059"
                        xFract="0.49990837"
                        y3="6.077299"
                        yFract="0.66836872"
                        z3="5.6740004"
                        zFract="0.28370002"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.39180702"
                        xFract="0.83631287"
                        y3="4.52244757"
                        yFract="0.49736939"
                        z3="5.6763312"
                        zFract="0.28381656"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.38852648"
                        xFract="0.66718125"
                        y3="7.59250319"
                        yFract="0.83500773"
                        z3="5.678477"
                        zFract="0.28392385"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="15.74402873"
                        xFract="0.99973233"
                        y3="9.08885733"
                        yFract="0.99957365"
                        z3="8.6503222"
                        zFract="0.43251611"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62075051"
                        xFract="0.16590567"
                        y3="1.52220078"
                        yFract="0.16740848"
                        z3="8.6237412"
                        zFract="0.43118706"/>
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                        id="a39"
                        x3="5.21680553"
                        xFract="0.32997069"
                        y3="3.03510079"
                        yFract="0.33379408"
                        z3="8.2712072"
                        zFract="0.41356036"/>
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                        id="a40"
                        x3="5.2549763"
                        xFract="0.49947345"
                        y3="0.01872749"
                        yFract="0.00205961"
                        z3="8.5577864"
                        zFract="0.42788932"/>
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                        xFract="0.66754724"
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                        xFract="0.99952442"
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                        yFract="0.49934675"
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                  <atom elementType="Cd"
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                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
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                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C4H8Cd48">
                  <atomArray count="4 8 48" elementType="C H Cd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5443.770800000001</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</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">600.0000</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 Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002</array>
                  <array dictRef="cc:atomType" size="3">Cd H C</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">112.41 1.00 12.01</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">12.00 1.00 4.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">48 8 4</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">3 3 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="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1800">-16.3466 -14.4639 -12.1393 -9.9600 -9.7089 -9.7034 -9.6998 -9.5757 -9.5748 -9.5740 -9.5533 -9.4563 -9.4543 -9.4519 -9.4135 -9.4125 -9.4067 -9.4019 -9.3685 -9.3653 -9.3638 -9.2966 -9.2854 -9.2849 -9.2814 -9.2751 -9.2745 -9.2676 -9.2634 -9.2590 -9.2480 -9.2331 -9.2317 -9.2309 -9.2301 -9.2265 -9.2253 -9.2237 -9.2189 -9.2108 -9.1812 -9.1777 -9.1721 -9.1689 -9.1617 -9.1565 -9.1413 -9.1371 -9.1182 -9.1094 -9.0887 -9.0863 -9.0835 -9.0806 -9.0772 -9.0754 -9.0596 -9.0587 -9.0543 -9.0466 -9.0448 -9.0335 -9.0295 -9.0276 -9.0240 -9.0196 -9.0119 -8.9977 -8.9889 -8.9874 -8.9809 -8.9787 -8.9783 -8.9753 -8.9748 -8.9729 -8.9667 -8.9631 -8.9557 -8.9537 -8.9499 -8.9486 -8.9444 -8.9420 -8.9357 -8.9230 -8.9229 -8.9194 -8.9187 -8.9185 -8.9171 -8.9154 -8.9147 -8.9131 -8.9116 -8.9066 -8.8923 -8.8918 -8.8735 -8.8615 -8.8558 -8.8506 -8.8443 -8.8416 -8.8318 -8.8212 -8.8110 -8.8081 -8.8039 -8.7974 -8.7946 -8.7934 -8.7923 -8.7873 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                        id="a35"
                        x3="11.37193067"
                        xFract="0.83333014"
                        y3="4.54226305"
                        yFract="0.49954866"
                        z3="5.73116126"
                        zFract="0.28655806"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37001348"
                        xFract="0.66623925"
                        y3="7.57756848"
                        yFract="0.83336524"
                        z3="5.72760308"
                        zFract="0.28638015"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="-0.0005637"
                        xFract="-0.00001811"
                        y3="-0.00064693"
                        yFract="-0.00007115"
                        z3="8.5793772"
                        zFract="0.42896886"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62597417"
                        xFract="0.16679388"
                        y3="1.51509583"
                        yFract="0.16662709"
                        z3="8.57679234"
                        zFract="0.42883962"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24930995"
                        xFract="0.33303533"
                        y3="3.03566812"
                        yFract="0.33385647"
                        z3="8.54498266"
                        zFract="0.42724913"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.25012608"
                        xFract="0.49998118"
                        y3="0.00109328"
                        yFract="0.00012024"
                        z3="8.5776569"
                        zFract="0.42888285"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87339774"
                        xFract="0.66634877"
                        y3="1.51926072"
                        yFract="0.16708514"
                        z3="8.59124326"
                        zFract="0.42956216"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49726904"
                        xFract="0.83294465"
                        y3="3.03431505"
                        yFract="0.33370767"
                        z3="8.5900213"
                        zFract="0.42950107"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62305094"
                        xFract="-0.00013519"
                        y3="4.54571596"
                        yFract="0.4999284"
                        z3="8.55778361"
                        zFract="0.42788918"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.25588981"
                        xFract="0.16717209"
                        y3="6.06336558"
                        yFract="0.66683635"
                        z3="8.55133707"
                        zFract="0.42756685"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87220125"
                        xFract="0.33323002"
                        y3="7.57510857"
                        yFract="0.83309471"
                        z3="8.54615835"
                        zFract="0.42730792"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.87712414"
                        xFract="0.50009151"
                        y3="4.54918113"
                        yFract="0.50030949"
                        z3="8.7766563"
                        zFract="0.43883282"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.50079622"
                        xFract="0.6668477"
                        y3="6.06097496"
                        yFract="0.66657344"
                        z3="8.5450203"
                        zFract="0.42725101"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12358129"
                        xFract="0.83320019"
                        y3="7.57857413"
                        yFract="0.83347584"
                        z3="8.57799377"
                        zFract="0.42889969"/>
                  <atom elementType="H"
                        id="a49"
                        x3="5.80213143"
                        xFract="0.37222502"
                        y3="3.28050032"
                        yFract="0.36078261"
                        z3="13.05126412"
                        zFract="0.65256321"/>
                  <atom elementType="H"
                        id="a50"
                        x3="7.41901247"
                        xFract="0.56190466"
                        y3="2.63160738"
                        yFract="0.28941871"
                        z3="12.64492049"
                        zFract="0.63224602"/>
                  <atom elementType="H"
                        id="a51"
                        x3="6.18948898"
                        xFract="0.43126177"
                        y3="2.87781223"
                        yFract="0.31649581"
                        z3="11.3738252"
                        zFract="0.56869126"/>
                  <atom elementType="H"
                        id="a52"
                        x3="6.38432546"
                        xFract="0.30917711"
                        y3="5.43544566"
                        yFract="0.59777902"
                        z3="11.7512645"
                        zFract="0.58756322"/>
                  <atom elementType="H"
                        id="a53"
                        x3="9.10398045"
                        xFract="0.62783923"
                        y3="4.35100639"
                        yFract="0.47851465"
                        z3="12.66775931"
                        zFract="0.63338797"/>
                  <atom elementType="H"
                        id="a54"
                        x3="8.07713859"
                        xFract="0.37546879"
                        y3="7.16193873"
                        yFract="0.78765514"
                        z3="11.79284956"
                        zFract="0.58964248"/>
                  <atom elementType="H"
                        id="a55"
                        x3="9.72357102"
                        xFract="0.56578733"
                        y3="6.55261156"
                        yFract="0.72064261"
                        z3="11.4746223"
                        zFract="0.57373111"/>
                  <atom elementType="H"
                        id="a56"
                        x3="9.22636918"
                        xFract="0.49938523"
                        y3="6.89898604"
                        yFract="0.75873615"
                        z3="13.13663728"
                        zFract="0.65683186"/>
                  <atom elementType="C"
                        id="a57"
                        x3="6.61267629"
                        xFract="0.44843916"
                        y3="3.29841536"
                        yFract="0.36275287"
                        z3="12.30391506"
                        zFract="0.61519575"/>
                  <atom elementType="C"
                        id="a58"
                        x3="7.1154276"
                        xFract="0.41967526"
                        y3="4.69229111"
                        yFract="0.51604843"
                        z3="12.09460023"
                        zFract="0.60473001"/>
                  <atom elementType="C"
                        id="a59"
                        x3="8.37519827"
                        xFract="0.51747616"
                        y3="5.09572281"
                        yFract="0.56041701"
                        z3="12.32351733"
                        zFract="0.61617587"/>
                  <atom elementType="C"
                        id="a60"
                        x3="8.86922569"
                        xFract="0.48737394"
                        y3="6.49882633"
                        yFract="0.71472742"
                        z3="12.1727101"
                        zFract="0.60863551"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a56 a60" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C4H8Cd48">
                  <atomArray count="4 8 48" elementType="C H Cd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5443.770800000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
