<?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">2021-10-30T01:24:32.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.499384869</scalar>
                  <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>
               <atomArray>
                  <atom elementType="Cd"
                        id="a1"
                        x3="0.87494876"
                        xFract="0.0000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        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"/>
                  <atom elementType="Cd"
                        id="a4"
                        x3="6.12464119"
                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a5"
                        x3="8.74948736"
                        xFract="0.83333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a6"
                        x3="8.74948741"
                        xFract="0.66666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a7"
                        x3="3.49979497"
                        xFract="0.0000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        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"/>
                  <atom elementType="Cd"
                        id="a11"
                        x3="11.37433357"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a12"
                        x3="11.37433363"
                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a14"
                        x3="2.62484627"
                        xFract="0.16666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a15"
                        x3="5.24969238"
                        xFract="0.33333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a16"
                        x3="5.24969243"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        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"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a21"
                        x3="7.8745386"
                        xFract="0.33333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        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="11.35599094"
                        xFract="0.99868676"
                        y3="1.50756712"
                        yFract="0.1657991"
                        z3="5.773372"
                        zFract="0.2886686"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.74087266"
                        xFract="0.33256765"
                        y3="9.09173718"
                        yFract="0.99989037"
                        z3="5.7269688"
                        zFract="0.28634844"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.42535964"
                        xFract="0.15933042"
                        y3="3.03539867"
                        yFract="0.33382684"
                        z3="5.5535474"
                        zFract="0.27767737"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.13966061"
                        xFract="0.5039117"
                        y3="1.47033401"
                        yFract="0.16170428"
                        z3="5.5889686"
                        zFract="0.27944843"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.02858185"
                        xFract="0.83818064"
                        y3="9.05550928"
                        yFract="0.9959061"
                        z3="5.6736676"
                        zFract="0.28368338"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.77397533"
                        xFract="0.66843348"
                        y3="3.04119537"
                        yFract="0.33446435"
                        z3="5.6986066"
                        zFract="0.28493033"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="3.49659686"
                        xFract="0.00017873"
                        y3="6.05303313"
                        yFract="0.66570001"
                        z3="5.7382452"
                        zFract="0.28691226"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.14470457"
                        xFract="0.33263941"
                        y3="4.59373715"
                        yFract="0.50520967"
                        z3="5.6316466"
                        zFract="0.28158233"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.13022634"
                        xFract="0.16663069"
                        y3="7.58760639"
                        yFract="0.83446919"
                        z3="5.7243326"
                        zFract="0.28621663"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.76971941"
                        xFract="0.50060316"
                        y3="6.08589682"
                        yFract="0.66931429"
                        z3="5.7054102"
                        zFract="0.28527051"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.36029878"
                        xFract="0.83155863"
                        y3="4.55433179"
                        yFract="0.50087595"
                        z3="5.7658086"
                        zFract="0.28829043"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37845442"
                        xFract="0.66799162"
                        y3="7.56032092"
                        yFract="0.83146839"
                        z3="5.7327394"
                        zFract="0.28663697"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.26139841"
                        xFract="0.0017728"
                        y3="9.08077017"
                        yFract="0.99868424"
                        z3="8.6258718"
                        zFract="0.43129359"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.63526103"
                        xFract="0.16737443"
                        y3="1.52062365"
                        yFract="0.16723503"
                        z3="8.5865924"
                        zFract="0.42932962"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.18748489"
                        xFract="0.32807541"
                        y3="3.01878251"
                        yFract="0.33199943"
                        z3="8.0603548"
                        zFract="0.40301774"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.51769763"
                        xFract="0.50179818"
                        y3="9.09175191"
                        yFract="0.99989199"
                        z3="8.4792456"
                        zFract="0.42396228"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.90627409"
                        xFract="0.6713762"
                        y3="1.484778"
                        yFract="0.1632928"
                        z3="8.2907454"
                        zFract="0.41453727"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49185382"
                        xFract="0.83253175"
                        y3="3.03244434"
                        yFract="0.33350193"
                        z3="8.5885678"
                        zFract="0.42942839"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62758645"
                        xFract="0.00088219"
                        y3="4.5350702"
                        yFract="0.4987576"
                        z3="8.6084198"
                        zFract="0.43042099"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.24141755"
                        xFract="0.16588595"
                        y3="6.06168787"
                        yFract="0.66665184"
                        z3="8.5382674"
                        zFract="0.42691337"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.88341515"
                        xFract="0.33440324"
                        y3="7.57319614"
                        yFract="0.83288438"
                        z3="8.5980862"
                        zFract="0.42990431"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.84290915"
                        xFract="0.49611543"
                        y3="4.56222583"
                        yFract="0.50174412"
                        z3="8.4715324"
                        zFract="0.42357662"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.48611501"
                        xFract="0.6656728"
                        y3="6.05691254"
                        yFract="0.66612666"
                        z3="8.60132"
                        zFract="0.430066"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.1273451"
                        xFract="0.83383525"
                        y3="7.57354439"
                        yFract="0.83292268"
                        z3="8.6100118"
                        zFract="0.43050059"/>
                  <atom elementType="H"
                        id="a49"
                        x3="5.8452859"
                        xFract="0.49254553"
                        y3="1.16716116"
                        yFract="0.12836196"
                        z3="12.5432492"
                        zFract="0.62716246"/>
                  <atom elementType="H"
                        id="a50"
                        x3="4.76319708"
                        xFract="0.38383867"
                        y3="1.26981349"
                        yFract="0.13965145"
                        z3="11.148225"
                        zFract="0.55741125"/>
                  <atom elementType="H"
                        id="a51"
                        x3="4.49760228"
                        xFract="0.2991994"
                        y3="2.34899454"
                        yFract="0.25833754"
                        z3="12.5309736"
                        zFract="0.62654868"/>
                  <atom elementType="H"
                        id="a52"
                        x3="5.6114469"
                        xFract="0.34259895"
                        y3="3.48898888"
                        yFract="0.38371175"
                        z3="10.5341936"
                        zFract="0.52670968"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.93079404"
                        xFract="0.53271886"
                        y3="2.31674561"
                        yFract="0.25479087"
                        z3="10.6216222"
                        zFract="0.53108111"/>
                  <atom elementType="H"
                        id="a54"
                        x3="7.53630044"
                        xFract="0.53742312"
                        y3="3.2799643"
                        yFract="0.36072366"
                        z3="12.927642"
                        zFract="0.6463821"/>
                  <atom elementType="H"
                        id="a55"
                        x3="6.37377012"
                        xFract="0.35418275"
                        y3="4.59871461"
                        yFract="0.50575708"
                        z3="12.5575912"
                        zFract="0.62787956"/>
                  <atom elementType="H"
                        id="a56"
                        x3="8.72736673"
                        xFract="0.61483381"
                        y3="3.93520198"
                        yFract="0.43278534"
                        z3="11.1891524"
                        zFract="0.55945762"/>
                  <atom elementType="C"
                        id="a57"
                        x3="5.27911539"
                        xFract="0.40001184"
                        y3="1.86929353"
                        yFract="0.20558102"
                        z3="11.921013"
                        zFract="0.59605065"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.1982928"
                        xFract="0.43265892"
                        y3="2.86765309"
                        yFract="0.31537853"
                        z3="11.235347"
                        zFract="0.56176735"/>
                  <atom elementType="C"
                        id="a59"
                        x3="7.00589997"
                        xFract="0.45709552"
                        y3="3.82207874"
                        yFract="0.42034428"
                        z3="12.1146216"
                        zFract="0.60573108"/>
                  <atom elementType="O"
                        id="a60"
                        x3="7.98363414"
                        xFract="0.510759"
                        y3="4.53966848"
                        yFract="0.49926331"
                        z3="11.3266664"
                        zFract="0.56633332"/>
               </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 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="a14 a27" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a28" order="S"/>
                  <bond atomRefs2="a18 a30" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a34" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a24 a29" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a45" 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 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 a58" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a59" 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="C3H8Cd48O">
                  <atomArray count="3 8 48 1" elementType="C H Cd O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5447.759500000001</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="4">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Cd H C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">112.41 1.00 12.01 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">12.00 1.00 4.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">48 8 3 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">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">-22.1064 -15.7608 -13.2041 -11.1187 -9.7067 -9.6999 -9.6978 -9.5878 -9.5856 -9.5843 -9.5505 -9.4541 -9.4504 -9.4491 -9.4150 -9.4136 -9.4122 -9.4080 -9.3816 -9.3759 -9.3706 -9.3172 -9.3007 -9.2889 -9.2785 -9.2773 -9.2727 -9.2646 -9.2597 -9.2560 -9.2520 -9.2477 -9.2383 -9.2336 -9.2317 -9.2309 -9.2253 -9.2230 -9.2185 -9.2137 -9.1901 -9.1825 -9.1716 -9.1622 -9.1555 -9.1506 -9.1432 -9.1401 -9.1243 -9.1136 -9.1081 -9.0937 -9.0932 -9.0898 -9.0880 -9.0819 -9.0782 -9.0631 -9.0598 -9.0550 -9.0482 -9.0469 -9.0355 -9.0295 -9.0272 -9.0244 -9.0192 -9.0153 -8.9998 -8.9985 -8.9933 -8.9924 -8.9909 -8.9836 -8.9774 -8.9763 -8.9685 -8.9646 -8.9616 -8.9595 -8.9556 -8.9540 -8.9504 -8.9467 -8.9431 -8.9406 -8.9332 -8.9323 -8.9303 -8.9301 -8.9293 -8.9270 -8.9245 -8.9209 -8.9188 -8.9117 -8.9091 -8.8999 -8.8989 -8.8724 -8.8609 -8.8519 -8.8472 -8.8429 -8.8360 -8.8278 -8.8224 -8.8157 -8.8099 -8.8055 -8.8054 -8.8044 -8.8025 -8.7987 -8.7953 -8.7947 -8.7915 -8.7903 -8.7867 -8.7816 -8.7807 -8.7763 -8.7740 -8.7706 -8.7574 -8.7562 -8.7528 -8.7517 -8.7408 -8.7400 -8.7338 -8.7323 -8.7292 -8.7262 -8.7233 -8.7092 -8.6737 -8.6688 -8.6502 -8.6473 -8.6398 -8.6370 -8.6329 -8.6313 -8.6257 -8.6253 -8.6212 -8.6110 -8.6097 -8.6012 -8.6003 -8.5900 -8.5758 -8.5730 -8.5701 -8.5683 -8.5655 -8.5613 -8.5523 -8.5467 -8.5432 -8.5419 -8.5400 -8.5384 -8.5365 -8.5326 -8.5216 -8.5188 -8.4917 -8.4879 -8.4823 -8.4770 -8.4757 -8.4725 -8.4130 -8.3993 -8.3952 -8.3944 -8.3868 -8.3837 -8.3829 -8.3790 -8.3779 -8.3764 -8.3742 -8.3727 -8.3716 -8.3685 -8.3674 -8.3667 -8.3643 -8.3633 -8.3595 -8.3562 -8.3544 -8.3430 -8.3412 -8.3334 -8.3262 -8.3259 -8.3251 -8.3229 -8.3223 -8.3214 -8.3197 -8.3187 -8.3179 -8.3173 -8.3155 -8.3033 -8.3002 -8.2969 -8.2920 -8.2883 -8.2819 -8.2787 -8.2736 -8.2663 -8.2624 -8.2541 -8.2464 -8.2437 -8.2394 -8.2392 -8.2336 -8.2328 -8.2324 -8.2317 -8.2310 -8.2290 -8.2279 -8.2256 -8.2184 -8.1718 -8.1204 -8.1193 -8.1172 -8.0682 -8.0662 -8.0639 -7.9364 -7.9346 -7.9182 -7.8876 -7.8845 -7.8822 -7.8520 -7.2236 -6.9344 -6.5838 -6.0729 -6.0448 -6.0266 -6.0035 -5.9863 -5.9708 -5.9595 -5.7549 -5.2064 -5.1609 -5.1214 -5.1149 -5.1008 -5.0989 -4.8849 -4.8299 -4.3622 -4.0767 -3.9302 -3.9128 -3.9086 -3.8903 -3.8234 -3.7595 -3.0281 -2.3842 -2.3704 -2.3406 -2.2710 -2.2441 -2.1255 -1.9143 -1.8873 -1.8750 -1.6450 -1.6137 -1.5928 -1.5844 -1.1001 -1.0956 -1.0755 -0.9659 -0.9548 -0.9476 0.2632 0.2744 0.2977 0.3090 0.4070 0.4298 0.4589 0.5201 0.5310 0.5495 0.6084 0.6247 0.6346 0.6688 0.7058 0.7408 0.7945 0.8022 0.9435 1.1105 1.1185 1.1515 1.1617 1.4897 1.5088 1.5291 1.6367 1.6657 1.9700 1.9908 2.0017 2.2306 2.2380 2.2456 2.2631 2.4168 2.5316 2.5605 2.6141 2.6557 2.6990 2.7138 2.7360 3.0628 3.7010 3.7190 3.7405 3.7699 3.7883 3.7962 3.8355 3.8532 3.8771 3.8977 3.9407 4.0846 4.2017 4.2385 4.2954 4.3592 4.6678 5.1936 5.2275 5.3447 5.3887 5.4157 5.4763 5.5737 5.5983 5.6837 5.7192 5.8521 5.8901 5.9526 5.9694 6.0835 6.1252 6.1422 -22.1065 -15.7608 -13.2041 -11.1188 -9.6412 -9.6345 -9.5878 -9.5226 -9.5212 -9.4784 -9.4729 -9.4640 -9.4610 -9.4327 -9.4176 -9.4013 -9.3968 -9.3896 -9.3564 -9.3536 -9.3517 -9.3487 -9.3354 -9.3266 -9.3234 -9.3193 -9.3144 -9.3048 -9.3037 -9.2997 -9.2940 -9.2853 -9.2728 -9.2674 -9.2599 -9.2553 -9.2464 -9.2376 -9.2322 -9.2252 -9.2101 -9.2081 -9.1977 -9.1916 -9.1904 -9.1868 -9.1816 -9.1749 -9.1738 -9.1656 -9.1641 -9.1620 -9.1564 -9.1484 -9.1421 -9.1367 -9.1308 -9.1254 -9.1164 -9.1015 -9.1004 -9.0984 -9.0902 -9.0880 -9.0814 -9.0740 -9.0674 -9.0594 -9.0481 -9.0425 -9.0350 -9.0284 -9.0257 -9.0234 -9.0159 -9.0133 -9.0023 -8.9929 -8.9906 -8.9812 -8.9768 -8.9638 -8.9604 -8.9495 -8.9425 -8.9367 -8.9232 -8.9173 -8.9122 -8.9081 -8.9018 -8.8994 -8.8917 -8.8907 -8.8836 -8.8794 -8.8738 -8.8718 -8.8659 -8.8606 -8.8547 -8.8518 -8.8467 -8.8389 -8.8372 -8.8183 -8.8111 -8.8051 -8.7957 -8.7928 -8.7831 -8.7742 -8.7681 -8.7613 -8.7571 -8.7550 -8.7446 -8.7331 -8.7320 -8.7301 -8.7241 -8.7201 -8.7085 -8.7041 -8.6998 -8.6944 -8.6863 -8.6767 -8.6728 -8.6676 -8.6588 -8.6556 -8.6539 -8.6441 -8.6370 -8.6315 -8.6253 -8.6223 -8.6198 -8.6111 -8.6089 -8.6050 -8.6030 -8.6002 -8.5967 -8.5864 -8.5839 -8.5787 -8.5751 -8.5697 -8.5670 -8.5649 -8.5619 -8.5546 -8.5536 -8.5511 -8.5482 -8.5426 -8.5396 -8.5362 -8.5290 -8.5264 -8.5188 -8.5171 -8.5143 -8.5115 -8.5092 -8.5058 -8.4946 -8.4934 -8.4868 -8.4781 -8.4642 -8.4586 -8.4559 -8.4482 -8.4416 -8.4239 -8.4218 -8.4192 -8.4153 -8.4131 -8.4118 -8.4066 -8.4014 -8.3946 -8.3920 -8.3828 -8.3797 -8.3726 -8.3694 -8.3669 -8.3635 -8.3620 -8.3531 -8.3487 -8.3459 -8.3424 -8.3409 -8.3387 -8.3365 -8.3349 -8.3332 -8.3282 -8.3273 -8.3248 -8.3217 -8.3192 -8.3112 -8.2988 -8.2911 -8.2878 -8.2866 -8.2840 -8.2821 -8.2798 -8.2780 -8.2746 -8.2603 -8.2551 -8.2488 -8.2465 -8.2404 -8.2367 -8.2245 -8.2082 -8.2009 -8.2001 -8.1884 -8.1707 -8.1679 -8.1676 -8.1614 -8.1482 -8.1470 -8.1364 -8.1229 -8.1213 -8.0986 -8.0401 -8.0201 -8.0092 -8.0030 -7.9755 -7.9721 -7.9337 -7.8513 -7.2438 -7.0247 -6.9051 -6.5943 -6.5205 -6.5133 -6.3064 -5.9546 -5.6361 -5.6117 -5.5902 -5.0733 -5.0549 -5.0353 -4.9387 -4.8228 -4.4137 -4.3441 -4.3010 -4.2434 -4.1607 -4.1405 -3.8437 -3.6227 -3.5906 -3.4092 -3.3311 -3.1207 -2.9928 -2.9375 -2.7971 -2.7852 -2.6939 -2.5730 -2.2516 -2.0860 -1.6779 -1.6410 -1.5766 -1.4947 -1.4753 -1.3697 -1.3364 -1.2579 -0.7783 -0.7676 -0.7330 -0.6921 -0.6765 -0.5829 -0.3215 -0.3035 -0.1160 0.0288 0.1261 0.1600 0.2042 0.6821 0.7461 0.8754 0.8890 0.9342 1.2493 1.2702 1.3419 1.5246 1.5385 1.5937 1.6373 1.6747 1.7790 1.7996 2.1373 2.1617 2.2295 2.2754 2.3181 2.4753 2.5030 2.5597 2.6169 2.6923 2.7449 3.0163 3.0440 3.0994 3.2290 3.3820 3.3949 3.4209 3.4851 3.5450 3.7090 3.7456 3.7829 3.8022 3.8648 3.9010 3.9373 3.9671 4.1020 4.1425 4.1789 4.2918 4.3111 4.3167 4.3345 4.4190 4.5598 4.6066 4.7323 4.8308 4.8707 4.9006 4.9498 5.0161 5.0726 5.1033 5.2272 5.2844 5.3083 5.3726 5.3969 5.4927 5.7562 -22.1065 -15.7608 -13.2041 -11.1187 -9.6407 -9.6353 -9.5878 -9.5232 -9.5207 -9.4758 -9.4732 -9.4675 -9.4614 -9.4287 -9.4230 -9.4017 -9.3950 -9.3922 -9.3590 -9.3540 -9.3521 -9.3473 -9.3355 -9.3258 -9.3212 -9.3188 -9.3147 -9.3063 -9.3026 -9.2947 -9.2920 -9.2811 -9.2734 -9.2708 -9.2606 -9.2540 -9.2487 -9.2455 -9.2289 -9.2266 -9.2137 -9.2057 -9.1971 -9.1934 -9.1899 -9.1881 -9.1779 -9.1749 -9.1716 -9.1662 -9.1643 -9.1608 -9.1584 -9.1442 -9.1426 -9.1362 -9.1303 -9.1242 -9.1144 -9.1056 -9.1024 -9.0999 -9.0893 -9.0850 -9.0782 -9.0710 -9.0681 -9.0595 -9.0507 -9.0420 -9.0346 -9.0283 -9.0259 -9.0202 -9.0177 -9.0100 -9.0045 -8.9982 -8.9930 -8.9791 -8.9763 -8.9670 -8.9624 -8.9467 -8.9394 -8.9334 -8.9235 -8.9187 -8.9111 -8.9075 -8.9018 -8.8957 -8.8927 -8.8906 -8.8856 -8.8799 -8.8767 -8.8735 -8.8635 -8.8612 -8.8579 -8.8545 -8.8451 -8.8373 -8.8366 -8.8245 -8.8075 -8.8040 -8.7999 -8.7949 -8.7858 -8.7740 -8.7662 -8.7593 -8.7524 -8.7498 -8.7442 -8.7330 -8.7305 -8.7280 -8.7228 -8.7200 -8.7103 -8.7037 -8.6944 -8.6908 -8.6866 -8.6783 -8.6731 -8.6677 -8.6629 -8.6541 -8.6505 -8.6452 -8.6411 -8.6379 -8.6307 -8.6258 -8.6166 -8.6124 -8.6099 -8.6050 -8.6031 -8.6008 -8.5951 -8.5885 -8.5837 -8.5813 -8.5749 -8.5713 -8.5664 -8.5646 -8.5624 -8.5544 -8.5525 -8.5498 -8.5463 -8.5406 -8.5390 -8.5339 -8.5306 -8.5248 -8.5183 -8.5166 -8.5134 -8.5123 -8.5109 -8.5053 -8.4946 -8.4899 -8.4886 -8.4826 -8.4637 -8.4587 -8.4550 -8.4487 -8.4441 -8.4285 -8.4254 -8.4195 -8.4149 -8.4106 -8.4090 -8.4055 -8.4007 -8.3943 -8.3873 -8.3835 -8.3786 -8.3726 -8.3710 -8.3673 -8.3637 -8.3586 -8.3536 -8.3496 -8.3472 -8.3445 -8.3395 -8.3384 -8.3353 -8.3347 -8.3316 -8.3299 -8.3270 -8.3250 -8.3192 -8.3172 -8.3142 -8.3012 -8.2904 -8.2883 -8.2854 -8.2836 -8.2815 -8.2798 -8.2780 -8.2754 -8.2599 -8.2560 -8.2493 -8.2474 -8.2418 -8.2371 -8.2253 -8.2082 -8.2041 -8.1952 -8.1904 -8.1708 -8.1677 -8.1665 -8.1603 -8.1488 -8.1469 -8.1419 -8.1226 -8.1215 -8.0989 -8.0398 -8.0161 -8.0085 -8.0031 -7.9750 -7.9725 -7.9361 -7.8496 -7.2432 -7.0251 -6.9018 -6.5977 -6.5221 -6.5122 -6.2999 -5.9599 -5.6434 -5.6079 -5.5847 -5.0947 -5.0420 -5.0195 -4.9227 -4.8535 -4.4391 -4.3388 -4.2834 -4.2413 -4.1641 -4.1264 -3.8418 -3.6100 -3.6022 -3.4222 -3.3433 -3.1033 -2.9882 -2.9319 -2.7964 -2.7707 -2.7045 -2.5853 -2.2471 -2.0865 -1.6707 -1.6510 -1.5702 -1.5165 -1.4733 -1.3786 -1.3171 -1.2571 -0.7910 -0.7501 -0.7358 -0.6872 -0.6750 -0.5933 -0.3154 -0.3046 -0.1182 0.0285 0.1135 0.1571 0.2162 0.6807 0.7481 0.8728 0.8858 0.9399 1.2539 1.2757 1.3344 1.5157 1.5596 1.5641 1.6258 1.6712 1.7753 1.8028 2.1341 2.2086 2.2554 2.2813 2.2933 2.4621 2.5029 2.5533 2.6163 2.6829 2.7617 3.0143 3.0488 3.0863 3.2678 3.3604 3.3957 3.4124 3.4703 3.5375 3.6608 3.7437 3.7968 3.8388 3.8598 3.8871 3.9535 4.0119 4.1149 4.1362 4.1977 4.2658 4.2941 4.3151 4.3398 4.3915 4.5770 4.6124 4.7384 4.8076 4.8584 4.8907 4.9633 5.0222 5.0815 5.1451 5.2097 5.2854 5.3209 5.3655 5.4047 5.4726 5.6035 -22.1065 -15.7608 -13.2041 -11.1188 -9.6402 -9.6362 -9.5875 -9.5227 -9.5214 -9.4764 -9.4733 -9.4651 -9.4633 -9.4313 -9.4179 -9.4032 -9.3947 -9.3914 -9.3569 -9.3540 -9.3519 -9.3485 -9.3351 -9.3256 -9.3239 -9.3206 -9.3130 -9.3066 -9.3028 -9.2989 -9.2931 -9.2817 -9.2727 -9.2672 -9.2622 -9.2549 -9.2473 -9.2381 -9.2339 -9.2248 -9.2116 -9.2086 -9.2000 -9.1921 -9.1891 -9.1850 -9.1812 -9.1747 -9.1724 -9.1661 -9.1631 -9.1605 -9.1587 -9.1473 -9.1424 -9.1363 -9.1281 -9.1262 -9.1139 -9.1054 -9.1012 -9.0973 -9.0908 -9.0837 -9.0791 -9.0719 -9.0684 -9.0581 -9.0523 -9.0391 -9.0363 -9.0294 -9.0266 -9.0210 -9.0177 -9.0099 -9.0038 -8.9983 -8.9927 -8.9806 -8.9770 -8.9674 -8.9576 -8.9452 -8.9409 -8.9336 -8.9219 -8.9177 -8.9114 -8.9072 -8.9015 -8.8966 -8.8939 -8.8890 -8.8862 -8.8806 -8.8770 -8.8741 -8.8637 -8.8601 -8.8577 -8.8548 -8.8458 -8.8373 -8.8361 -8.8225 -8.8078 -8.8054 -8.7996 -8.7928 -8.7843 -8.7737 -8.7682 -8.7583 -8.7513 -8.7499 -8.7481 -8.7334 -8.7308 -8.7269 -8.7211 -8.7178 -8.7132 -8.7059 -8.6983 -8.6930 -8.6850 -8.6782 -8.6734 -8.6691 -8.6593 -8.6560 -8.6514 -8.6441 -8.6383 -8.6373 -8.6301 -8.6248 -8.6230 -8.6114 -8.6086 -8.6047 -8.6025 -8.5978 -8.5919 -8.5897 -8.5856 -8.5819 -8.5751 -8.5719 -8.5689 -8.5635 -8.5609 -8.5567 -8.5530 -8.5499 -8.5480 -8.5416 -8.5376 -8.5361 -8.5308 -8.5238 -8.5185 -8.5162 -8.5137 -8.5120 -8.5102 -8.5052 -8.4958 -8.4900 -8.4876 -8.4806 -8.4640 -8.4590 -8.4531 -8.4513 -8.4436 -8.4293 -8.4248 -8.4193 -8.4160 -8.4117 -8.4080 -8.4036 -8.3999 -8.3951 -8.3926 -8.3785 -8.3748 -8.3735 -8.3704 -8.3670 -8.3626 -8.3600 -8.3577 -8.3499 -8.3463 -8.3439 -8.3401 -8.3376 -8.3369 -8.3347 -8.3322 -8.3291 -8.3275 -8.3243 -8.3217 -8.3165 -8.3127 -8.2996 -8.2891 -8.2874 -8.2850 -8.2840 -8.2827 -8.2809 -8.2782 -8.2746 -8.2595 -8.2557 -8.2501 -8.2476 -8.2424 -8.2366 -8.2249 -8.2080 -8.2039 -8.1968 -8.1893 -8.1702 -8.1681 -8.1670 -8.1589 -8.1486 -8.1468 -8.1400 -8.1222 -8.1220 -8.0988 -8.0388 -8.0173 -8.0084 -8.0032 -7.9738 -7.9736 -7.9348 -7.8525 -7.2440 -7.0290 -6.8971 -6.5867 -6.5340 -6.5152 -6.2905 -5.9692 -5.6510 -5.6181 -5.5593 -5.1063 -5.0478 -5.0192 -4.9211 -4.8263 -4.4973 -4.3343 -4.2623 -4.2236 -4.1651 -4.1182 -3.8472 -3.6168 -3.5961 -3.4192 -3.3468 -3.1100 -2.9977 -2.9179 -2.7889 -2.7763 -2.7132 -2.5694 -2.2538 -2.0873 -1.6757 -1.6451 -1.5727 -1.5095 -1.4790 -1.3680 -1.3274 -1.2563 -0.7814 -0.7601 -0.7309 -0.6877 -0.6759 -0.5999 -0.3206 -0.3023 -0.1183 0.0265 0.1234 0.1630 0.2057 0.6767 0.7453 0.8742 0.8906 0.9350 1.2535 1.2699 1.3381 1.5174 1.5476 1.5880 1.6357 1.6472 1.7782 1.7986 2.1389 2.1895 2.2411 2.2934 2.3193 2.4785 2.4980 2.5466 2.6160 2.6859 2.7557 2.9956 3.0639 3.0896 3.1982 3.3691 3.3978 3.4128 3.4796 3.5431 3.7372 3.7724 3.7830 3.8659 3.8712 3.8992 3.9526 3.9741 4.0909 4.1498 4.1841 4.2746 4.3022 4.3180 4.3263 4.4094 4.5599 4.6085 4.7282 4.8342 4.8655 4.9126 4.9522 5.0227 5.0729 5.1588 5.1994 5.2689 5.3196 5.3631 5.4256 5.5522 5.6563 -22.1065 -15.7608 -13.2041 -11.1188 -9.5760 -9.5742 -9.5694 -9.4615 -9.4583 -9.4553 -9.4399 -9.4344 -9.4321 -9.4282 -9.4272 -9.4250 -9.3962 -9.3918 -9.3908 -9.3573 -9.3543 -9.3463 -9.3321 -9.3268 -9.3218 -9.3187 -9.3153 -9.3117 -9.3053 -9.3006 -9.2945 -9.2855 -9.2849 -9.2822 -9.2757 -9.2754 -9.2736 -9.2666 -9.2652 -9.2613 -9.2376 -9.2306 -9.2270 -9.2242 -9.2176 -9.2091 -9.1975 -9.1953 -9.1920 -9.1642 -9.1538 -9.1478 -9.1390 -9.1386 -9.1331 -9.1326 -9.1306 -9.1290 -9.1261 -9.1230 -9.1198 -9.1171 -9.1166 -9.1112 -9.1072 -9.1058 -9.1039 -9.1014 -9.0999 -9.0976 -9.0953 -9.0945 -9.0934 -9.0651 -9.0406 -9.0382 -9.0185 -9.0152 -9.0116 -9.0076 -9.0055 -9.0012 -8.9905 -8.9406 -8.9362 -8.9281 -8.9102 -8.9063 -8.8996 -8.8960 -8.8927 -8.8901 -8.8874 -8.8843 -8.8781 -8.8716 -8.8524 -8.8470 -8.8415 -8.8383 -8.8353 -8.8336 -8.8296 -8.8269 -8.8252 -8.8170 -8.8150 -8.7897 -8.7872 -8.7866 -8.7812 -8.7792 -8.7775 -8.7481 -8.7441 -8.7383 -8.7346 -8.7327 -8.7287 -8.7253 -8.7194 -8.7146 -8.6961 -8.6938 -8.6878 -8.6727 -8.6695 -8.6671 -8.6534 -8.6462 -8.6363 -8.6271 -8.6264 -8.6207 -8.6171 -8.6152 -8.6082 -8.6049 -8.6036 -8.6027 -8.6012 -8.5999 -8.5951 -8.5710 -8.5697 -8.5527 -8.5429 -8.5397 -8.5346 -8.5313 -8.5257 -8.5242 -8.5215 -8.5180 -8.5169 -8.5129 -8.5025 -8.4980 -8.4957 -8.4923 -8.4903 -8.4882 -8.4821 -8.4791 -8.4774 -8.4752 -8.4713 -8.4668 -8.4619 -8.4571 -8.4560 -8.4552 -8.4546 -8.4514 -8.4463 -8.4434 -8.4404 -8.4360 -8.4330 -8.4236 -8.4220 -8.4197 -8.4192 -8.4176 -8.4141 -8.4120 -8.4094 -8.4070 -8.4018 -8.4006 -8.3997 -8.3963 -8.3946 -8.3928 -8.3872 -8.3858 -8.3818 -8.3784 -8.3723 -8.3664 -8.3553 -8.3515 -8.3486 -8.3415 -8.3392 -8.3370 -8.3304 -8.3263 -8.3220 -8.3070 -8.3053 -8.3046 -8.2987 -8.2928 -8.2909 -8.2899 -8.2889 -8.2866 -8.2605 -8.2598 -8.2593 -8.2269 -8.2245 -8.2231 -8.2188 -8.2154 -8.2121 -8.1774 -8.1693 -8.1551 -8.1316 -8.1286 -8.1279 -8.1277 -8.1245 -8.1203 -8.1179 -8.1069 -8.1037 -8.0879 -8.0874 -8.0850 -8.0830 -8.0811 -8.0799 -7.8538 -7.5314 -7.4662 -7.4596 -6.9598 -6.6063 -6.5586 -6.5166 -6.4759 -5.9180 -5.3344 -5.3242 -5.3153 -5.2743 -5.2627 -5.2088 -4.9406 -4.8193 -4.4915 -4.4298 -4.4127 -4.2689 -3.5593 -3.5404 -3.4747 -3.3190 -3.2343 -3.2065 -3.0935 -3.0868 -3.0777 -3.0546 -3.0458 -3.0382 -2.8506 -2.2650 -2.2428 -2.2373 -2.2330 -2.2262 -2.2167 -1.7171 -1.7075 -1.6843 -1.1655 -1.1552 -1.1401 -1.1277 -1.1228 -1.1042 -0.8761 -0.8559 -0.6934 0.2083 0.2198 0.2317 0.2883 0.3123 0.3316 1.1808 1.1960 1.2108 1.2284 1.2377 1.2417 1.2519 1.2835 1.3198 1.3552 1.3886 1.6464 1.9894 1.9962 2.0125 2.0174 2.0289 2.0325 2.8279 2.8947 2.9171 2.9257 2.9488 2.9715 3.0084 3.0368 3.1443 3.1597 3.1789 3.2326 3.2708 3.2838 3.3223 3.4008 3.4100 3.4294 3.4411 3.5305 3.6356 4.0783 4.1036 4.1114 4.1749 4.2624 4.2767 4.2835 4.3015 4.3161 4.3465 4.3888 4.4355 4.4522 4.6132 4.7264 4.7484 4.7900 4.8719 4.9211 4.9255 4.9620 4.9958 5.0020 5.1016 5.2034 5.2442 5.3728 5.5500 5.6146</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="1860">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00040 0.00005 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99657 1.81649 0.45198 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99957 1.85706 0.18725 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99773 1.76500 0.40899 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.34311 0.13576 0.04026 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="180"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="2"
                          units="nonsi2:ev.angstrom-1">-0.013022 0.028372 0.081934 0.037668 -0.018036 0.059635 0.010530 0.009168 0.040752 -0.013623 -0.004735 -0.003964 0.005353 0.005306 0.066321 0.015385 -0.010418 0.019192 0.030159 -0.005008 0.072784 -0.022795 0.000622 0.002256 -0.016506 -0.018706 0.083513 0.004324 0.017734 0.064517 -0.000690 -0.032880 0.088032 -0.032735 0.023965 0.067731 -0.006974 -0.007050 -0.106569 -0.036665 -0.029620 -0.164282 -0.031006 0.007245 -0.143045 -0.039191 -0.044202 -0.136087 0.059753 -0.024272 -0.120941 0.011789 0.008779 -0.102483 -0.035078 0.025405 -0.155131 -0.024437 0.036329 -0.146462 0.019355 0.005258 -0.122691 0.058229 0.032194 -0.115664 -0.006742 -0.003619 -0.105969 0.025297 -0.012449 -0.125772 0.009739 0.020867 0.028063 0.016544 0.019940 0.022619 0.070492 -0.004848 0.076233 -0.016322 0.041380 0.008688 -0.030237 0.014941 0.029073 -0.021788 -0.002047 -0.024236 0.015316 -0.014021 0.030381 -0.018388 -0.047730 -0.003047 0.008290 -0.024693 0.026401 -0.019638 -0.004178 0.020763 0.007592 -0.022161 0.040078 0.011618 0.019282 0.016129 -0.017360 0.014677 0.000888 -0.006831 -0.012329 -0.021885 -0.008188 0.000110 0.025411 -0.020422 0.000672 -0.011142 -0.003307 -0.002247 0.002376 -0.004390 -0.003154 0.001041 -0.002970 0.003239 -0.024005 0.008029 -0.002127 -0.026281 -0.007827 0.008438 -0.002408 0.021378 0.018521 0.018072 0.009098 0.003201 0.006997 -0.014130 0.014013 -0.009962 0.053749 -0.051295 0.191017 0.012288 0.047445 0.082410 0.077277 0.041452 0.039021 0.066684 -0.030309 0.051717 -0.046979 -0.052687 -0.006278 -0.247981 0.063320 -0.076514 -0.141612 0.032904 0.151511 0.359231 -0.172480 -0.155624 -0.099163 -0.003456 -0.047848 0.089214 0.161450 0.221742 0.130599 -0.273324 0.106132 -0.237985 0.207852 0.114857 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000</matrix>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-99.87311199</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-99.85129357</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-99.86220278</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.1882</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5856672E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.4993848690228</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.499384869022803</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cd"
                        id="a1"
                        x3="0.87494874"
                        xFract="-0.0000"
                        y3="1.51545567"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a2"
                        x3="3.49979496"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a3"
                        x3="3.49979496"
                        xFract="0.16666667"
                        y3="3.03091134"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a4"
                        x3="6.12464117"
                        xFract="0.5000"
                        y3="1.51545567"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a5"
                        x3="8.74948739"
                        xFract="0.83333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a6"
                        x3="8.74948739"
                        xFract="0.66666667"
                        y3="3.03091134"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a7"
                        x3="3.49979496"
                        xFract="-0.0000"
                        y3="6.06182268"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a8"
                        x3="6.12464117"
                        xFract="0.33333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a9"
                        x3="6.12464117"
                        xFract="0.16666667"
                        y3="7.57727835"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a10"
                        x3="8.74948739"
                        xFract="0.5000"
                        y3="6.06182268"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a11"
                        x3="11.37433361"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a12"
                        x3="11.37433361"
                        xFract="0.66666667"
                        y3="7.57727835"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a14"
                        x3="2.62484622"
                        xFract="0.16666667"
                        y3="1.51545567"
                        yFract="0.16666667"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a15"
                        x3="5.24969243"
                        xFract="0.33333333"
                        y3="3.03091134"
                        yFract="0.33333333"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a16"
                        x3="5.24969243"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a17"
                        x3="7.87453865"
                        xFract="0.66666667"
                        y3="1.51545567"
                        yFract="0.16666667"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.49938487"
                        xFract="0.83333333"
                        y3="3.03091134"
                        yFract="0.33333333"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a19"
                        x3="2.62484622"
                        xFract="-0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="5.24969243"
                        xFract="0.16666667"
                        y3="6.06182268"
                        yFract="0.66666667"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a21"
                        x3="7.87453865"
                        xFract="0.33333333"
                        y3="7.57727835"
                        yFract="0.83333333"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.49938487"
                        xFract="0.66666667"
                        y3="6.06182268"
                        yFract="0.66666667"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.12423109"
                        xFract="0.83333333"
                        y3="7.57727835"
                        yFract="0.83333333"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="11.36781155"
                        xFract="0.99900757"
                        y3="1.52220685"
                        yFract="0.16740915"
                        z3="5.76734223"
                        zFract="0.28836711"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.50142356"
                        xFract="0.33368657"
                        y3="-0.00360289"
                        yFract="-0.00039624"
                        z3="5.76699419"
                        zFract="0.28834971"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49210934"
                        xFract="0.16555213"
                        y3="3.03786788"
                        yFract="0.3340984"
                        z3="5.71131528"
                        zFract="0.28556576"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.12403273"
                        xFract="0.50005161"
                        y3="1.51346325"
                        yFract="0.16644754"
                        z3="5.70351469"
                        zFract="0.28517573"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="8.75498804"
                        xFract="0.83357175"
                        y3="0.00519175"
                        yFract="0.00057098"
                        z3="5.72662848"
                        zFract="0.28633142"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.75079818"
                        xFract="0.66592166"
                        y3="3.04672991"
                        yFract="0.33507303"
                        z3="5.76954602"
                        zFract="0.2884773"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="3.5058148"
                        xFract="0.00055974"
                        y3="6.06207015"
                        yFract="0.66669388"
                        z3="5.75608816"
                        zFract="0.28780441"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.13490768"
                        xFract="0.3332031"
                        y3="4.56651741"
                        yFract="0.5022161"
                        z3="5.73502287"
                        zFract="0.28675114"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12670054"
                        xFract="0.16670744"
                        y3="7.5801038"
                        yFract="0.83364407"
                        z3="5.76861948"
                        zFract="0.28843097"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.74955701"
                        xFract="0.49985874"
                        y3="6.06451208"
                        yFract="0.66696244"
                        z3="5.77595064"
                        zFract="0.28879753"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37051754"
                        xFract="0.832801"
                        y3="4.54943809"
                        yFract="0.50033775"
                        z3="5.76946394"
                        zFract="0.2884732"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.3713993"
                        xFract="0.66631797"
                        y3="7.57853717"
                        yFract="0.83347178"
                        z3="5.76938081"
                        zFract="0.28846904"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="-0.00053305"
                        xFract="-0.0000305"
                        y3="-0.00036869"
                        yFract="-0.00004055"
                        z3="8.58118551"
                        zFract="0.42905928"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62557822"
                        xFract="0.16666715"
                        y3="1.51671469"
                        yFract="0.16680513"
                        z3="8.57880281"
                        zFract="0.42894014"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24738701"
                        xFract="0.33296609"
                        y3="3.03359665"
                        yFract="0.33362866"
                        z3="8.42393372"
                        zFract="0.42119669"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.25020919"
                        xFract="0.49997765"
                        y3="0.00130144"
                        yFract="0.00014313"
                        z3="8.55597714"
                        zFract="0.42779886"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87645694"
                        xFract="0.66664802"
                        y3="1.51911725"
                        yFract="0.16706936"
                        z3="8.48856965"
                        zFract="0.42442848"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49425814"
                        xFract="0.83263153"
                        y3="3.03479415"
                        yFract="0.33376036"
                        z3="8.57803088"
                        zFract="0.42890154"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62498975"
                        xFract="0.00003232"
                        y3="4.54602789"
                        yFract="0.4999627"
                        z3="8.57893106"
                        zFract="0.42894655"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.24903651"
                        xFract="0.16664517"
                        y3="6.06107755"
                        yFract="0.66658472"
                        z3="8.58051359"
                        zFract="0.42902568"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87599742"
                        xFract="0.33363526"
                        y3="7.57431436"
                        yFract="0.83300736"
                        z3="8.61229414"
                        zFract="0.43061471"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.85574107"
                        xFract="0.49756141"
                        y3="4.55815563"
                        yFract="0.50129649"
                        z3="8.80871679"
                        zFract="0.44043584"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.48887574"
                        xFract="0.66584109"
                        y3="6.05863383"
                        yFract="0.66631596"
                        z3="8.6194351"
                        zFract="0.43097176"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12401875"
                        xFract="0.83327829"
                        y3="7.57791164"
                        yFract="0.83340298"
                        z3="8.57847622"
                        zFract="0.42892381"/>
                  <atom elementType="H"
                        id="a49"
                        x3="5.86199546"
                        xFract="0.4727873"
                        y3="1.5554157"
                        yFract="0.17106139"
                        z3="13.92327572"
                        zFract="0.69616379"/>
                  <atom elementType="H"
                        id="a50"
                        x3="4.61710759"
                        xFract="0.36497802"
                        y3="1.35976875"
                        yFract="0.14954454"
                        z3="12.66608232"
                        zFract="0.63330412"/>
                  <atom elementType="H"
                        id="a51"
                        x3="4.74033812"
                        xFract="0.29255129"
                        y3="2.89032442"
                        yFract="0.31787188"
                        z3="13.56370138"
                        zFract="0.67818507"/>
                  <atom elementType="H"
                        id="a52"
                        x3="5.7408342"
                        xFract="0.37708034"
                        y3="3.08603407"
                        yFract="0.33939562"
                        z3="11.23853092"
                        zFract="0.56192655"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.86064776"
                        xFract="0.55595661"
                        y3="1.77265926"
                        yFract="0.19495338"
                        z3="11.61043169"
                        zFract="0.58052158"/>
                  <atom elementType="H"
                        id="a54"
                        x3="7.81780088"
                        xFract="0.56957375"
                        y3="3.1828631"
                        yFract="0.35004467"
                        z3="13.49761968"
                        zFract="0.67488098"/>
                  <atom elementType="H"
                        id="a55"
                        x3="6.74094646"
                        xFract="0.39394559"
                        y3="4.51157688"
                        yFract="0.49617385"
                        z3="12.99738889"
                        zFract="0.64986944"/>
                  <atom elementType="H"
                        id="a56"
                        x3="8.76469706"
                        xFract="0.65016723"
                        y3="3.35730517"
                        yFract="0.36922945"
                        z3="11.36124652"
                        zFract="0.56806233"/>
                  <atom elementType="C"
                        id="a57"
                        x3="5.3251698"
                        xFract="0.39319964"
                        y3="2.07294508"
                        yFract="0.22797819"
                        z3="13.11328057"
                        zFract="0.65566403"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.29674419"
                        xFract="0.45633147"
                        y3="2.60767948"
                        yFract="0.28678717"
                        z3="12.06258483"
                        zFract="0.60312924"/>
                  <atom elementType="C"
                        id="a59"
                        x3="7.27805604"
                        xFract="0.49407383"
                        y3="3.6209989"
                        yFract="0.39822994"
                        z3="12.63664406"
                        zFract="0.6318322"/>
                  <atom elementType="O"
                        id="a60"
                        x3="8.2225646"
                        xFract="0.557013"
                        y3="4.11235747"
                        yFract="0.45226853"
                        z3="11.66299932"
                        zFract="0.58314997"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" 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 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a11" 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 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" 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 a18" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a18 a22" 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 a30" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" 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 a44" order="S"/>
                  <bond atomRefs2="a39 a43" 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 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 a46" order="S"/>
                  <bond atomRefs2="a44 a45" 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 a58" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a59" 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="C3H8Cd48O">
                  <atomArray count="3 8 48 1" elementType="C H Cd O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5447.759500000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
