<?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">2021-10-30T20:04:31.000</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"
                        zFract="0.0000"/>
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                        y3="0.0000"
                        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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                        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"/>
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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"/>
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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"/>
                  <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="0.89948928"
                        xFract="0.00427208"
                        y3="1.48027137"
                        yFract="0.16279717"
                        z3="5.6398062"
                        zFract="0.28199031"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.50522904"
                        xFract="0.33322355"
                        y3="0.01140856"
                        yFract="0.00125469"
                        z3="5.708488"
                        zFract="0.2854244"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.47879416"
                        xFract="0.16468222"
                        y3="3.03062498"
                        yFract="0.33330184"
                        z3="5.65234"
                        zFract="0.282617"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.11857848"
                        xFract="0.50102033"
                        y3="1.4863996"
                        yFract="0.16347114"
                        z3="5.6538302"
                        zFract="0.28269151"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.00439589"
                        xFract="0.83486616"
                        y3="9.07389333"
                        yFract="0.99792794"
                        z3="5.7168308"
                        zFract="0.28584154"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.74745861"
                        xFract="0.6672402"
                        y3="3.01696742"
                        yFract="0.33179981"
                        z3="5.5994496"
                        zFract="0.27997248"/>
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                        id="a31"
                        x3="13.99227167"
                        xFract="0.99867011"
                        y3="6.07404207"
                        yFract="0.66801053"
                        z3="5.7187628"
                        zFract="0.28593814"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.10258251"
                        xFract="0.33023933"
                        y3="4.56442618"
                        yFract="0.50198611"
                        z3="5.6409134"
                        zFract="0.28204567"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.10999513"
                        xFract="0.16466612"
                        y3="7.58829153"
                        yFract="0.83454454"
                        z3="5.7007432"
                        zFract="0.28503716"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.76228574"
                        xFract="0.50002588"
                        y3="6.08351943"
                        yFract="0.66905283"
                        z3="5.6962876"
                        zFract="0.28481438"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.40197147"
                        xFract="0.83442667"
                        y3="4.57435435"
                        yFract="0.50307799"
                        z3="5.612168"
                        zFract="0.2806084"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.3849274"
                        xFract="0.66709407"
                        y3="7.58785481"
                        yFract="0.83449651"
                        z3="5.7197254"
                        zFract="0.28598627"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="10.50011809"
                        xFract="0.99973541"
                        y3="0.00608168"
                        yFract="0.00066885"
                        z3="8.6302342"
                        zFract="0.43151171"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62162233"
                        xFract="0.16628839"
                        y3="1.51675087"
                        yFract="0.16680911"
                        z3="8.6409468"
                        zFract="0.43204734"/>
                  <atom elementType="Cd"
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                        x3="5.23185141"
                        xFract="0.33240027"
                        y3="3.01697797"
                        yFract="0.33180097"
                        z3="8.2799804"
                        zFract="0.41399902"/>
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                        id="a40"
                        x3="5.25488627"
                        xFract="0.50045896"
                        y3="0.00064958"
                        yFract="0.00007144"
                        z3="8.6282022"
                        zFract="0.43141011"/>
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                        xFract="0.66659181"
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                        yFract="0.50079574"
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                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
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                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a44" 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="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" 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 a59" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a54 a59" 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="a58 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">-16.5871 -13.6229 -13.2364 -9.7165 -9.7149 -9.7130 -9.5908 -9.5899 -9.5896 -9.5649 -9.5007 -9.4610 -9.4602 -9.4567 -9.4171 -9.4156 -9.4131 -9.4073 -9.3781 -9.3768 -9.3750 -9.3039 -9.3003 -9.2958 -9.2894 -9.2829 -9.2804 -9.2752 -9.2714 -9.2672 -9.2519 -9.2501 -9.2458 -9.2443 -9.2420 -9.2415 -9.2391 -9.2357 -9.2348 -9.2296 -9.1845 -9.1819 -9.1767 -9.1732 -9.1714 -9.1693 -9.1550 -9.1448 -9.1265 -9.1247 -9.0965 -9.0963 -9.0944 -9.0930 -9.0920 -9.0912 -9.0672 -9.0667 -9.0561 -9.0524 -9.0499 -9.0387 -9.0365 -9.0321 -9.0311 -9.0301 -9.0245 -8.9983 -8.9972 -8.9946 -8.9922 -8.9908 -8.9833 -8.9802 -8.9770 -8.9727 -8.9699 -8.9691 -8.9673 -8.9630 -8.9601 -8.9563 -8.9548 -8.9502 -8.9464 -8.9345 -8.9327 -8.9321 -8.9304 -8.9296 -8.9283 -8.9269 -8.9259 -8.9244 -8.9214 -8.9146 -8.9071 -8.9044 -8.8774 -8.8726 -8.8599 -8.8518 -8.8494 -8.8455 -8.8361 -8.8330 -8.8127 -8.8109 -8.8036 -8.8014 -8.8000 -8.7999 -8.7996 -8.7978 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                        id="a35"
                        x3="11.37378371"
                        xFract="0.83319436"
                        y3="4.54794189"
                        yFract="0.5001732"
                        z3="5.71210577"
                        zFract="0.28560529"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.36927327"
                        xFract="0.66589716"
                        y3="7.58250737"
                        yFract="0.83390841"
                        z3="5.7279033"
                        zFract="0.28639517"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="0.00057005"
                        xFract="0.00006709"
                        y3="-0.00023262"
                        yFract="-0.00002558"
                        z3="8.58069531"
                        zFract="0.42903477"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62516217"
                        xFract="0.1667406"
                        y3="1.51465839"
                        yFract="0.16657898"
                        z3="8.57978906"
                        zFract="0.42898945"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.25468408"
                        xFract="0.33357634"
                        y3="3.03513802"
                        yFract="0.33379817"
                        z3="8.57179557"
                        zFract="0.42858978"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.25023428"
                        xFract="0.49976108"
                        y3="0.00528343"
                        yFract="0.00058106"
                        z3="8.55154786"
                        zFract="0.42757739"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87231127"
                        xFract="0.66583925"
                        y3="1.52664469"
                        yFract="0.16789721"
                        z3="8.55570074"
                        zFract="0.42778504"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49720701"
                        xFract="0.8326682"
                        y3="3.03923486"
                        yFract="0.33424874"
                        z3="8.55089862"
                        zFract="0.42754493"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62362861"
                        xFract="-0.00026937"
                        y3="4.54915669"
                        yFract="0.5003068"
                        z3="8.58398136"
                        zFract="0.42919907"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.2529507"
                        xFract="0.16682985"
                        y3="6.0644985"
                        yFract="0.66696095"
                        z3="8.55000395"
                        zFract="0.4275002"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87307496"
                        xFract="0.33281768"
                        y3="7.58412058"
                        yFract="0.83408583"
                        z3="8.49778096"
                        zFract="0.42488905"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.87592243"
                        xFract="0.49985081"
                        y3="4.5514768"
                        yFract="0.50056196"
                        z3="8.76702633"
                        zFract="0.43835132"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.50291511"
                        xFract="0.66691337"
                        y3="6.06345076"
                        yFract="0.66684572"
                        z3="8.5052732"
                        zFract="0.42526366"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12303766"
                        xFract="0.83322303"
                        y3="7.57721721"
                        yFract="0.83332661"
                        z3="8.58020958"
                        zFract="0.42901048"/>
                  <atom elementType="H"
                        id="a49"
                        x3="6.55186253"
                        xFract="0.46906313"
                        y3="2.81802622"
                        yFract="0.30992067"
                        z3="13.33459447"
                        zFract="0.66672972"/>
                  <atom elementType="H"
                        id="a50"
                        x3="6.50166945"
                        xFract="0.48573203"
                        y3="2.42795755"
                        yFract="0.26702173"
                        z3="11.60867883"
                        zFract="0.58043394"/>
                  <atom elementType="H"
                        id="a51"
                        x3="5.74090083"
                        xFract="0.33034232"
                        y3="3.9361023"
                        yFract="0.43288435"
                        z3="12.1938625"
                        zFract="0.60969312"/>
                  <atom elementType="H"
                        id="a52"
                        x3="9.12958996"
                        xFract="0.74353127"
                        y3="2.2914496"
                        yFract="0.25200887"
                        z3="11.58171345"
                        zFract="0.57908567"/>
                  <atom elementType="H"
                        id="a53"
                        x3="9.17872637"
                        xFract="0.72588125"
                        y3="2.69753022"
                        yFract="0.29666877"
                        z3="13.30339431"
                        zFract="0.66516972"/>
                  <atom elementType="H"
                        id="a54"
                        x3="10.05657211"
                        xFract="0.753299"
                        y3="3.71939894"
                        yFract="0.40905177"
                        z3="12.1226988"
                        zFract="0.60613494"/>
                  <atom elementType="H"
                        id="a55"
                        x3="7.06113313"
                        xFract="0.34924857"
                        y3="5.87899259"
                        yFract="0.64655939"
                        z3="11.68614363"
                        zFract="0.58430718"/>
                  <atom elementType="H"
                        id="a56"
                        x3="8.92347135"
                        xFract="0.53171283"
                        y3="5.78645912"
                        yFract="0.63638275"
                        z3="11.66294404"
                        zFract="0.5831472"/>
                  <atom elementType="C"
                        id="a57"
                        x3="6.59920675"
                        xFract="0.44910646"
                        y3="3.26295015"
                        yFract="0.35885248"
                        z3="12.32633001"
                        zFract="0.6163165"/>
                  <atom elementType="C"
                        id="a58"
                        x3="7.9052055"
                        xFract="0.5344137"
                        y3="3.97365435"
                        yFract="0.43701425"
                        z3="12.12523608"
                        zFract="0.6062618"/>
                  <atom elementType="C"
                        id="a59"
                        x3="9.13997397"
                        xFract="0.69800059"
                        y3="3.13743191"
                        yFract="0.34504824"
                        z3="12.292476"
                        zFract="0.6146238"/>
                  <atom elementType="C"
                        id="a60"
                        x3="7.96601547"
                        xFract="0.4685192"
                        y3="5.27730263"
                        yFract="0.58038678"
                        z3="11.79328564"
                        zFract="0.58966428"/>
               </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 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a6" 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 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" 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 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" 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 a41" 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="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" 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 a59" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a54 a59" 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="a58 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>
