<?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">2021-10-30T05:39:54.000</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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                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a2"
                        x3="3.49979492"
                        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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                        x3="6.12464119"
                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.83333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="8.74948741"
                        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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                        x3="5.24969243"
                        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"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a19"
                        x3="2.62484622"
                        xFract="0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        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"/>
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                        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="0.88499567"
                        xFract="0.00157875"
                        y3="1.50414716"
                        yFract="0.16542298"
                        z3="5.7199392"
                        zFract="0.28599696"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.50733474"
                        xFract="0.33330132"
                        y3="0.01364147"
                        yFract="0.00150026"
                        z3="5.7471988"
                        zFract="0.28735994"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.48519726"
                        xFract="0.16569771"
                        y3="3.02324832"
                        yFract="0.33249057"
                        z3="5.7153546"
                        zFract="0.28576773"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.12552319"
                        xFract="0.50068843"
                        y3="1.50446395"
                        yFract="0.16545782"
                        z3="5.7215228"
                        zFract="0.28607614"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="13.99617082"
                        xFract="0.83337897"
                        y3="9.08669235"
                        yFract="0.99933555"
                        z3="5.75059"
                        zFract="0.2875295"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.76065949"
                        xFract="0.66928404"
                        y3="3.00266382"
                        yFract="0.33022673"
                        z3="5.6460692"
                        zFract="0.28230346"/>
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                        id="a31"
                        x3="13.96907963"
                        xFract="0.99691577"
                        y3="6.06577578"
                        yFract="0.66710142"
                        z3="5.678357"
                        zFract="0.28391785"/>
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                        id="a32"
                        x3="6.1077839"
                        xFract="0.33253849"
                        y3="4.53162396"
                        yFract="0.49837859"
                        z3="5.6231072"
                        zFract="0.28115536"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.13050893"
                        xFract="0.16594863"
                        y3="7.60049944"
                        yFract="0.83588714"
                        z3="5.673698"
                        zFract="0.2836849"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.76803357"
                        xFract="0.50020575"
                        y3="6.09020395"
                        yFract="0.66978798"
                        z3="5.6395198"
                        zFract="0.28197599"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.38032667"
                        xFract="0.83374995"
                        y3="4.54917094"
                        yFract="0.50030837"
                        z3="5.7171746"
                        zFract="0.28585873"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.38280768"
                        xFract="0.66688407"
                        y3="7.58800229"
                        yFract="0.83451273"
                        z3="5.7432654"
                        zFract="0.28716327"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.24804713"
                        xFract="0.00019244"
                        y3="9.08638466"
                        yFract="0.99930171"
                        z3="8.6027104"
                        zFract="0.43013552"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62417793"
                        xFract="0.16685821"
                        y3="1.51081486"
                        yFract="0.16615628"
                        z3="8.6266092"
                        zFract="0.43133046"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24114951"
                        xFract="0.33303768"
                        y3="3.02149115"
                        yFract="0.33229732"
                        z3="8.4730844"
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                        id="a40"
                        x3="10.50214757"
                        xFract="0.50038425"
                        y3="9.0905314"
                        yFract="0.99975776"
                        z3="8.6186312"
                        zFract="0.43093156"/>
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                        y3="1.52370799"
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                        id="a44"
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                        xFract="0.16525237"
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                  <bond atomRefs2="a6 a10" order="S"/>
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                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a48" 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 a59" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a60" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a62" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
               </bondArray>
               <formula concise="C4H10Cd48">
                  <atomArray count="4 10 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">602.0000</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 10 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="1860">-15.9599 -14.0963 -11.6830 -10.3633 -9.7364 -9.7334 -9.7300 -9.6155 -9.6152 -9.6149 -9.5825 -9.4866 -9.4852 -9.4819 -9.4472 -9.4454 -9.4430 -9.4420 -9.4078 -9.4056 -9.4015 -9.3293 -9.3192 -9.3170 -9.3064 -9.3027 -9.2994 -9.2944 -9.2935 -9.2887 -9.2809 -9.2735 -9.2696 -9.2665 -9.2629 -9.2577 -9.2562 -9.2531 -9.2488 -9.2471 -9.2065 -9.2021 -9.1997 -9.1989 -9.1881 -9.1834 -9.1662 -9.1622 -9.1424 -9.1400 -9.1235 -9.1212 -9.1203 -9.1183 -9.1171 -9.1137 -9.0922 -9.0892 -9.0874 -9.0811 -9.0792 -9.0654 -9.0634 -9.0596 -9.0568 -9.0519 -9.0513 -9.0242 -9.0231 -9.0213 -9.0212 -9.0149 -9.0135 -9.0123 -9.0063 -9.0016 -8.9993 -8.9914 -8.9889 -8.9877 -8.9855 -8.9837 -8.9821 -8.9780 -8.9764 -8.9610 -8.9602 -8.9598 -8.9595 -8.9587 -8.9580 -8.9576 -8.9563 -8.9549 -8.9490 -8.9434 -8.9297 -8.9292 -8.8955 -8.8878 -8.8832 -8.8820 -8.8772 -8.8721 -8.8638 -8.8608 -8.8508 -8.8461 -8.8390 -8.8369 -8.8325 -8.8321 -8.8293 -8.8272 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                        z3="5.71301379"
                        zFract="0.28565069"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12815908"
                        xFract="0.16674585"
                        y3="7.58193147"
                        yFract="0.83384507"
                        z3="5.71961005"
                        zFract="0.2859805"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.75286263"
                        xFract="0.49993187"
                        y3="6.06890773"
                        yFract="0.66744587"
                        z3="5.71299295"
                        zFract="0.28564965"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37626064"
                        xFract="0.83323636"
                        y3="4.55146829"
                        yFract="0.50056103"
                        z3="5.76229585"
                        zFract="0.28811479"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37547092"
                        xFract="0.66654234"
                        y3="7.58150916"
                        yFract="0.83379863"
                        z3="5.76862423"
                        zFract="0.28843121"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="0.00114136"
                        xFract="0.0001504"
                        y3="-0.00075825"
                        yFract="-0.00008339"
                        z3="8.58129205"
                        zFract="0.4290646"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62411164"
                        xFract="0.16648328"
                        y3="1.51751835"
                        yFract="0.16689352"
                        z3="8.61958899"
                        zFract="0.43097945"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24811778"
                        xFract="0.33310681"
                        y3="3.03230345"
                        yFract="0.33348644"
                        z3="8.57698703"
                        zFract="0.42884935"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.2471281"
                        xFract="0.49967536"
                        y3="0.0014621"
                        yFract="0.0001608"
                        z3="8.60014531"
                        zFract="0.43000727"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.8757572"
                        xFract="0.66674428"
                        y3="1.51615481"
                        yFract="0.16674356"
                        z3="8.57918015"
                        zFract="0.42895901"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49904831"
                        xFract="0.83325385"
                        y3="3.03177392"
                        yFract="0.3334282"
                        z3="8.57536864"
                        zFract="0.42876843"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.6254089"
                        xFract="-0.00002444"
                        y3="4.54778597"
                        yFract="0.50015605"
                        z3="8.59048118"
                        zFract="0.42952406"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.248059"
                        xFract="0.16653294"
                        y3="6.06142537"
                        yFract="0.66662297"
                        z3="8.49127093"
                        zFract="0.42456355"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87457549"
                        xFract="0.333335"
                        y3="7.5773119"
                        yFract="0.83333702"
                        z3="8.5778864"
                        zFract="0.42889432"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.87406139"
                        xFract="0.49995655"
                        y3="4.54633049"
                        yFract="0.49999598"
                        z3="8.46280229"
                        zFract="0.42314011"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49860119"
                        xFract="0.66650565"
                        y3="6.06339346"
                        yFract="0.66683942"
                        z3="8.57771684"
                        zFract="0.42888584"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12406905"
                        xFract="0.83335061"
                        y3="7.57668354"
                        yFract="0.83326792"
                        z3="8.58920925"
                        zFract="0.42946046"/>
                  <atom elementType="H"
                        id="a49"
                        x3="5.77093374"
                        xFract="0.21517602"
                        y3="6.08247379"
                        yFract="0.66893783"
                        z3="13.2240266"
                        zFract="0.66120133"/>
                  <atom elementType="H"
                        id="a50"
                        x3="4.84458983"
                        xFract="0.19039883"
                        y3="4.92858381"
                        yFract="0.54203541"
                        z3="12.23100148"
                        zFract="0.61155007"/>
                  <atom elementType="H"
                        id="a51"
                        x3="5.83994902"
                        xFract="0.21631742"
                        y3="6.18125481"
                        yFract="0.67980156"
                        z3="11.45269402"
                        zFract="0.5726347"/>
                  <atom elementType="H"
                        id="a52"
                        x3="6.97200068"
                        xFract="0.44881078"
                        y3="3.91402531"
                        yFract="0.43045637"
                        z3="11.37808759"
                        zFract="0.56890438"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.94225533"
                        xFract="0.45004547"
                        y3="3.8400514"
                        yFract="0.42232088"
                        z3="13.14103262"
                        zFract="0.65705163"/>
                  <atom elementType="H"
                        id="a54"
                        x3="8.35580692"
                        xFract="0.46951347"
                        y3="5.93435985"
                        yFract="0.65264857"
                        z3="13.22811133"
                        zFract="0.66140557"/>
                  <atom elementType="H"
                        id="a55"
                        x3="8.39726061"
                        xFract="0.47214826"
                        y3="5.95824493"
                        yFract="0.6552754"
                        z3="11.46283139"
                        zFract="0.57314157"/>
                  <atom elementType="H"
                        id="a56"
                        x3="9.51988439"
                        xFract="0.7039048"
                        y3="3.68808512"
                        yFract="0.40560794"
                        z3="13.23548511"
                        zFract="0.66177426"/>
                  <atom elementType="H"
                        id="a57"
                        x3="10.48904472"
                        xFract="0.73001116"
                        y3="4.89196383"
                        yFract="0.53800802"
                        z3="12.34733665"
                        zFract="0.61736683"/>
                  <atom elementType="H"
                        id="a58"
                        x3="9.52650158"
                        xFract="0.70449035"
                        y3="3.68889793"
                        yFract="0.40569733"
                        z3="11.45761864"
                        zFract="0.57288093"/>
                  <atom elementType="C"
                        id="a59"
                        x3="5.79450597"
                        xFract="0.25059492"
                        y3="5.47919283"
                        yFract="0.60259025"
                        z3="12.30268639"
                        zFract="0.61513432"/>
                  <atom elementType="C"
                        id="a60"
                        x3="6.9986448"
                        xFract="0.41692901"
                        y3="4.53995919"
                        yFract="0.49929528"
                        z3="12.28970435"
                        zFract="0.61448522"/>
                  <atom elementType="C"
                        id="a61"
                        x3="8.3335291"
                        xFract="0.50317023"
                        y3="5.28370961"
                        yFract="0.58109141"
                        z3="12.33689111"
                        zFract="0.61684456"/>
                  <atom elementType="C"
                        id="a62"
                        x3="9.53628798"
                        xFract="0.66957679"
                        y3="4.34076796"
                        yFract="0.47738864"
                        z3="12.34799245"
                        zFract="0.61739962"/>
               </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 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a32" 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 a46" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" 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 a59" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a60" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a62" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
               </bondArray>
               <formula concise="C4H10Cd48">
                  <atomArray count="4 10 48" elementType="C H Cd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5443.770800000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
