<?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">2021-10-30T00:35:00.000</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="0.87420771"
                        xFract="0.00031504"
                        y3="1.50844302"
                        yFract="0.16589543"
                        z3="5.7462062"
                        zFract="0.28731031"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.50344608"
                        xFract="0.33364559"
                        y3="0.0006454"
                        yFract="0.00007098"
                        z3="5.7463158"
                        zFract="0.28731579"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.48155707"
                        xFract="0.16504513"
                        y3="3.0288108"
                        yFract="0.33310232"
                        z3="5.707003"
                        zFract="0.28535015"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.13221235"
                        xFract="0.50169383"
                        y3="1.49776624"
                        yFract="0.16472122"
                        z3="5.6889444"
                        zFract="0.28444722"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="8.75608785"
                        xFract="0.83386022"
                        y3="0.00185064"
                        yFract="0.00020353"
                        z3="5.7586794"
                        zFract="0.28793397"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.75196364"
                        xFract="0.66743021"
                        y3="3.02131493"
                        yFract="0.33227794"
                        z3="5.7121714"
                        zFract="0.28560857"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="13.99087378"
                        xFract="0.99905919"
                        y3="6.06454526"
                        yFract="0.66696609"
                        z3="5.7237596"
                        zFract="0.28618798"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.12400083"
                        xFract="0.33291209"
                        y3="4.55291842"
                        yFract="0.50072051"
                        z3="5.6826642"
                        zFract="0.28413321"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12469973"
                        xFract="0.16613978"
                        y3="7.58696145"
                        yFract="0.83439826"
                        z3="5.7111372"
                        zFract="0.28555686"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.74472846"
                        xFract="0.49916326"
                        y3="6.06879647"
                        yFract="0.66743363"
                        z3="5.6917364"
                        zFract="0.28458682"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.38319973"
                        xFract="0.83467813"
                        y3="4.53726782"
                        yFract="0.49899929"
                        z3="5.6963072"
                        zFract="0.28481536"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.38433896"
                        xFract="0.66666073"
                        y3="7.59471609"
                        yFract="0.8352511"
                        z3="5.7062854"
                        zFract="0.28531427"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.25588875"
                        xFract="0.00094099"
                        y3="9.08635401"
                        yFract="0.99929834"
                        z3="8.605121"
                        zFract="0.43025605"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62644921"
                        xFract="0.16714287"
                        y3="1.50957216"
                        yFract="0.16601961"
                        z3="8.6024118"
                        zFract="0.43012059"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24267249"
                        xFract="0.33429566"
                        y3="3.00125208"
                        yFract="0.33007147"
                        z3="8.329032"
                        zFract="0.4164516"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.50320864"
                        xFract="0.50064673"
                        y3="9.0875959"
                        yFract="0.99943492"
                        z3="8.6046942"
                        zFract="0.43023471"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87641951"
                        xFract="0.66701688"
                        y3="1.51234462"
                        yFract="0.16632452"
                        z3="8.5792922"
                        zFract="0.42896461"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.51382683"
                        xFract="0.83537882"
                        y3="3.01872741"
                        yFract="0.33199337"
                        z3="8.4937452"
                        zFract="0.42468726"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62726381"
                        xFract="0.00037945"
                        y3="4.54365392"
                        yFract="0.49970162"
                        z3="8.5853202"
                        zFract="0.42926601"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.24837865"
                        xFract="0.16662982"
                        y3="6.06021721"
                        yFract="0.6664901"
                        z3="8.4347614"
                        zFract="0.42173807"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87533057"
                        xFract="0.33407238"
                        y3="7.56521008"
                        yFract="0.83200609"
                        z3="8.5284732"
                        zFract="0.42642366"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.87779309"
                        xFract="0.50150285"
                        y3="4.52467384"
                        yFract="0.49761423"
                        z3="8.4587244"
                        zFract="0.42293622"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.51780562"
                        xFract="0.66821536"
                        y3="6.06556464"
                        yFract="0.6670782"
                        z3="8.3597978"
                        zFract="0.41798989"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12640126"
                        xFract="0.83332658"
                        y3="7.58116001"
                        yFract="0.83376023"
                        z3="8.6085476"
                        zFract="0.43042738"/>
                  <atom elementType="H"
                        id="a49"
                        x3="4.85438813"
                        xFract="0.20920069"
                        y3="4.60363441"
                        yFract="0.50629815"
                        z3="12.2683906"
                        zFract="0.61341953"/>
                  <atom elementType="H"
                        id="a50"
                        x3="6.04955253"
                        xFract="0.39569767"
                        y3="3.28218501"
                        yFract="0.36096789"
                        z3="12.4273304"
                        zFract="0.62136652"/>
                  <atom elementType="H"
                        id="a51"
                        x3="5.47920773"
                        xFract="0.31318228"
                        y3="3.79489983"
                        yFract="0.4173552"
                        z3="10.8272152"
                        zFract="0.54136076"/>
                  <atom elementType="H"
                        id="a52"
                        x3="7.14265415"
                        xFract="0.37500201"
                        y3="5.55185281"
                        yFract="0.61058124"
                        z3="12.736385"
                        zFract="0.63681925"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.66599861"
                        xFract="0.30559412"
                        y3="5.98847617"
                        yFract="0.65860017"
                        z3="11.0709764"
                        zFract="0.55354882"/>
                  <atom elementType="H"
                        id="a54"
                        x3="10.08424281"
                        xFract="0.7104038"
                        y3="4.54739531"
                        yFract="0.50011309"
                        z3="11.1461286"
                        zFract="0.55730643"/>
                  <atom elementType="H"
                        id="a55"
                        x3="9.35081894"
                        xFract="0.60298256"
                        y3="5.23057342"
                        yFract="0.5752476"
                        z3="12.649918"
                        zFract="0.6324959"/>
                  <atom elementType="H"
                        id="a56"
                        x3="9.25193678"
                        xFract="0.54385401"
                        y3="6.13458486"
                        yFract="0.6746689"
                        z3="11.0744652"
                        zFract="0.55372326"/>
                  <atom elementType="C"
                        id="a57"
                        x3="5.75181549"
                        xFract="0.31984039"
                        y3="4.14598947"
                        yFract="0.45596731"
                        z3="11.8245628"
                        zFract="0.59122814"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.89409601"
                        xFract="0.37445025"
                        y3="5.13137151"
                        yFract="0.56433758"
                        z3="11.7412668"
                        zFract="0.58706334"/>
                  <atom elementType="C"
                        id="a59"
                        x3="9.2439604"
                        xFract="0.59826111"
                        y3="5.13135078"
                        yFract="0.5643353"
                        z3="11.5534008"
                        zFract="0.57767004"/>
                  <atom elementType="O"
                        id="a60"
                        x3="8.03993872"
                        xFract="0.52214822"
                        y3="4.43007258"
                        yFract="0.48721018"
                        z3="11.2439822"
                        zFract="0.56219911"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 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 a35" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" 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 a34" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" 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 a44" order="S"/>
                  <bond atomRefs2="a39 a43" 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 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a60" 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">-22.5526 -15.4219 -13.1588 -11.4521 -9.6784 -9.6733 -9.6714 -9.5595 -9.5590 -9.5579 -9.5233 -9.4336 -9.4303 -9.4267 -9.3939 -9.3906 -9.3902 -9.3881 -9.3529 -9.3476 -9.3448 -9.2661 -9.2512 -9.2501 -9.2491 -9.2433 -9.2398 -9.2385 -9.2373 -9.2346 -9.2339 -9.2246 -9.2052 -9.2043 -9.2035 -9.1986 -9.1951 -9.1918 -9.1902 -9.1884 -9.1498 -9.1459 -9.1395 -9.1343 -9.1329 -9.1285 -9.1043 -9.1011 -9.0843 -9.0822 -9.0671 -9.0665 -9.0647 -9.0637 -9.0609 -9.0598 -9.0373 -9.0353 -9.0289 -9.0281 -9.0249 -9.0144 -9.0112 -9.0092 -9.0043 -9.0023 -8.9978 -8.9729 -8.9688 -8.9646 -8.9641 -8.9636 -8.9589 -8.9561 -8.9533 -8.9475 -8.9427 -8.9418 -8.9384 -8.9351 -8.9318 -8.9282 -8.9274 -8.9253 -8.9234 -8.9126 -8.9113 -8.9094 -8.9076 -8.9074 -8.9069 -8.9060 -8.9054 -8.9047 -8.8939 -8.8908 -8.8735 -8.8729 -8.8472 -8.8366 -8.8327 -8.8317 -8.8298 -8.8220 -8.8202 -8.8162 -8.8067 -8.7931 -8.7867 -8.7825 -8.7814 -8.7811 -8.7799 -8.7747 -8.7739 -8.7729 -8.7710 -8.7675 -8.7613 -8.7580 -8.7545 -8.7529 -8.7518 -8.7370 -8.7365 -8.7318 -8.7303 -8.7203 -8.7186 -8.7105 -8.7100 -8.7092 -8.7069 -8.7061 -8.6956 -8.6700 -8.6579 -8.6436 -8.6415 -8.6217 -8.6162 -8.6088 -8.6057 -8.6032 -8.6022 -8.6018 -8.5990 -8.5964 -8.5952 -8.5810 -8.5737 -8.5704 -8.5647 -8.5478 -8.5446 -8.5434 -8.5401 -8.5381 -8.5337 -8.5332 -8.5286 -8.5278 -8.5257 -8.5198 -8.5130 -8.5117 -8.5077 -8.4981 -8.4959 -8.4671 -8.4654 -8.4631 -8.4605 -8.4578 -8.4263 -8.3855 -8.3745 -8.3711 -8.3707 -8.3665 -8.3663 -8.3629 -8.3607 -8.3598 -8.3539 -8.3528 -8.3502 -8.3489 -8.3470 -8.3456 -8.3443 -8.3427 -8.3407 -8.3392 -8.3356 -8.3333 -8.3223 -8.3182 -8.3124 -8.3041 -8.3033 -8.3021 -8.3013 -8.3004 -8.3002 -8.2983 -8.2974 -8.2968 -8.2962 -8.2951 -8.2812 -8.2788 -8.2731 -8.2701 -8.2620 -8.2598 -8.2594 -8.2540 -8.2519 -8.2483 -8.2455 -8.2414 -8.2160 -8.2156 -8.2118 -8.2096 -8.2094 -8.2092 -8.2089 -8.2086 -8.2071 -8.2051 -8.2021 -8.1766 -8.0990 -8.0988 -8.0971 -8.0952 -8.0392 -8.0380 -8.0357 -7.9189 -7.9155 -7.9011 -7.8629 -7.8599 -7.8593 -7.5907 -7.1808 -6.8510 -5.9973 -5.9757 -5.9628 -5.9617 -5.9575 -5.9420 -5.8883 -5.7638 -5.4315 -5.1864 -5.1201 -5.1041 -5.0953 -5.0927 -5.0840 -4.9651 -4.4803 -4.0351 -3.8969 -3.8827 -3.8775 -3.8621 -3.8182 -3.7514 -2.7918 -2.3535 -2.3270 -2.3167 -2.2836 -2.2326 -2.1717 -1.8757 -1.8525 -1.8448 -1.6671 -1.5704 -1.5648 -1.5587 -1.0973 -1.0923 -1.0755 -0.9467 -0.9374 -0.9336 0.3023 0.3190 0.3422 0.3464 0.4524 0.4781 0.4963 0.5717 0.5853 0.5909 0.6408 0.6461 0.6679 0.6824 0.7133 0.7263 0.8284 0.8350 0.8888 1.1236 1.1272 1.1589 1.1735 1.4945 1.5112 1.5256 1.6590 1.6672 1.9953 2.0071 2.0235 2.2565 2.2604 2.2635 2.3018 2.5057 2.5752 2.5915 2.6223 2.6672 2.7205 2.7284 2.8136 2.9085 3.6814 3.7389 3.7847 3.8006 3.8048 3.8407 3.8487 3.8840 3.8916 3.9312 3.9895 4.1592 4.1695 4.2512 4.2895 4.3525 4.5709 5.1287 5.2188 5.2921 5.3797 5.4674 5.4978 5.5131 5.6051 5.6171 5.6643 5.7459 5.8708 5.9130 5.9760 6.0148 6.0871 6.1567 -22.5527 -15.4220 -13.1587 -11.4522 -9.6117 -9.6089 -9.5591 -9.4943 -9.4936 -9.4443 -9.4422 -9.4371 -9.4350 -9.3979 -9.3951 -9.3705 -9.3698 -9.3627 -9.3327 -9.3290 -9.3243 -9.3227 -9.3116 -9.3008 -9.2926 -9.2912 -9.2846 -9.2783 -9.2763 -9.2699 -9.2627 -9.2486 -9.2478 -9.2350 -9.2304 -9.2228 -9.2174 -9.2067 -9.2045 -9.1970 -9.1845 -9.1837 -9.1794 -9.1738 -9.1705 -9.1651 -9.1591 -9.1510 -9.1496 -9.1460 -9.1427 -9.1381 -9.1374 -9.1232 -9.1150 -9.1056 -9.1017 -9.0901 -9.0834 -9.0747 -9.0721 -9.0642 -9.0560 -9.0509 -9.0490 -9.0424 -9.0338 -9.0319 -9.0209 -9.0159 -9.0120 -9.0089 -8.9981 -8.9965 -8.9943 -8.9913 -8.9864 -8.9782 -8.9550 -8.9525 -8.9436 -8.9414 -8.9323 -8.9301 -8.9203 -8.8968 -8.8901 -8.8866 -8.8840 -8.8805 -8.8769 -8.8704 -8.8675 -8.8648 -8.8617 -8.8527 -8.8501 -8.8449 -8.8406 -8.8381 -8.8327 -8.8277 -8.8192 -8.8131 -8.8000 -8.7864 -8.7783 -8.7710 -8.7678 -8.7649 -8.7572 -8.7497 -8.7425 -8.7337 -8.7309 -8.7264 -8.7132 -8.7065 -8.7057 -8.7018 -8.6967 -8.6921 -8.6872 -8.6800 -8.6716 -8.6661 -8.6583 -8.6512 -8.6473 -8.6406 -8.6353 -8.6323 -8.6306 -8.6256 -8.6190 -8.6123 -8.6026 -8.5957 -8.5901 -8.5888 -8.5857 -8.5832 -8.5817 -8.5793 -8.5762 -8.5733 -8.5685 -8.5645 -8.5578 -8.5515 -8.5489 -8.5462 -8.5437 -8.5387 -8.5338 -8.5327 -8.5279 -8.5237 -8.5209 -8.5163 -8.5118 -8.5077 -8.4981 -8.4952 -8.4924 -8.4907 -8.4888 -8.4846 -8.4760 -8.4724 -8.4681 -8.4631 -8.4542 -8.4407 -8.4333 -8.4307 -8.4275 -8.4241 -8.4069 -8.4036 -8.3974 -8.3928 -8.3881 -8.3852 -8.3822 -8.3804 -8.3770 -8.3710 -8.3594 -8.3566 -8.3538 -8.3515 -8.3501 -8.3435 -8.3383 -8.3368 -8.3256 -8.3236 -8.3217 -8.3187 -8.3149 -8.3123 -8.3102 -8.3085 -8.3070 -8.3047 -8.3031 -8.2992 -8.2986 -8.2934 -8.2787 -8.2676 -8.2665 -8.2654 -8.2618 -8.2605 -8.2573 -8.2558 -8.2497 -8.2358 -8.2328 -8.2313 -8.2246 -8.2195 -8.2131 -8.2020 -8.1878 -8.1807 -8.1766 -8.1740 -8.1469 -8.1463 -8.1405 -8.1355 -8.1205 -8.1197 -8.1135 -8.0987 -8.0976 -8.0748 -8.0269 -8.0002 -7.9937 -7.9790 -7.9507 -7.9490 -7.8845 -7.5941 -7.2024 -6.9668 -6.8377 -6.4857 -6.4822 -6.2718 -5.8164 -5.6313 -5.5961 -5.5893 -5.4163 -5.0854 -4.9983 -4.9893 -4.9702 -4.4918 -4.3229 -4.2904 -4.2201 -4.1591 -4.1457 -3.8083 -3.5767 -3.5687 -3.3996 -3.2812 -3.0146 -2.9583 -2.8397 -2.7775 -2.7576 -2.7017 -2.5732 -2.2262 -2.0518 -1.6402 -1.6322 -1.5369 -1.4787 -1.4574 -1.3592 -1.3316 -1.2457 -0.7727 -0.7590 -0.6999 -0.6580 -0.6512 -0.5742 -0.3004 -0.2919 -0.1127 0.0501 0.1483 0.1883 0.2073 0.6968 0.7736 0.8987 0.9206 0.9677 1.2718 1.2911 1.3590 1.5621 1.5940 1.6086 1.6356 1.6673 1.7730 1.8261 2.1742 2.2245 2.2607 2.2932 2.3308 2.4987 2.5105 2.5586 2.6291 2.7172 2.7779 3.0404 3.0534 3.1055 3.3161 3.3859 3.4150 3.4415 3.5113 3.5322 3.7563 3.7643 3.7842 3.8294 3.8695 3.8977 3.9755 4.0201 4.0979 4.1443 4.1977 4.2932 4.3174 4.3464 4.3913 4.4718 4.5302 4.6222 4.6900 4.8277 4.8843 4.9089 4.9511 5.0656 5.0976 5.1454 5.2172 5.2787 5.3341 5.3664 5.4402 5.5235 5.5764 -22.5527 -15.4219 -13.1589 -11.4521 -9.6130 -9.6072 -9.5593 -9.4947 -9.4931 -9.4441 -9.4418 -9.4382 -9.4339 -9.4017 -9.3918 -9.3719 -9.3668 -9.3628 -9.3330 -9.3283 -9.3245 -9.3215 -9.3115 -9.3014 -9.2935 -9.2899 -9.2848 -9.2782 -9.2765 -9.2701 -9.2619 -9.2523 -9.2484 -9.2327 -9.2278 -9.2235 -9.2166 -9.2073 -9.2043 -9.1960 -9.1858 -9.1838 -9.1795 -9.1712 -9.1700 -9.1657 -9.1602 -9.1527 -9.1510 -9.1435 -9.1427 -9.1390 -9.1365 -9.1247 -9.1153 -9.1065 -9.1014 -9.0909 -9.0800 -9.0752 -9.0725 -9.0611 -9.0576 -9.0541 -9.0474 -9.0418 -9.0348 -9.0297 -9.0229 -9.0169 -9.0131 -9.0090 -8.9993 -8.9982 -8.9945 -8.9927 -8.9863 -8.9774 -8.9549 -8.9526 -8.9452 -8.9397 -8.9340 -8.9284 -8.9240 -8.8960 -8.8899 -8.8876 -8.8865 -8.8804 -8.8786 -8.8729 -8.8658 -8.8628 -8.8615 -8.8525 -8.8488 -8.8455 -8.8420 -8.8372 -8.8342 -8.8248 -8.8222 -8.8131 -8.7984 -8.7847 -8.7794 -8.7706 -8.7663 -8.7625 -8.7556 -8.7471 -8.7419 -8.7354 -8.7320 -8.7296 -8.7128 -8.7066 -8.7053 -8.7026 -8.6980 -8.6893 -8.6852 -8.6801 -8.6735 -8.6645 -8.6588 -8.6509 -8.6481 -8.6411 -8.6358 -8.6324 -8.6306 -8.6273 -8.6181 -8.6080 -8.6010 -8.5936 -8.5912 -8.5862 -8.5851 -8.5823 -8.5816 -8.5768 -8.5744 -8.5718 -8.5678 -8.5648 -8.5559 -8.5531 -8.5495 -8.5448 -8.5425 -8.5377 -8.5344 -8.5322 -8.5308 -8.5262 -8.5223 -8.5173 -8.5135 -8.5097 -8.4988 -8.4956 -8.4926 -8.4909 -8.4882 -8.4844 -8.4764 -8.4718 -8.4670 -8.4642 -8.4546 -8.4422 -8.4358 -8.4297 -8.4269 -8.4217 -8.4046 -8.4017 -8.3973 -8.3940 -8.3885 -8.3866 -8.3835 -8.3788 -8.3741 -8.3723 -8.3625 -8.3570 -8.3532 -8.3528 -8.3493 -8.3435 -8.3398 -8.3383 -8.3267 -8.3245 -8.3206 -8.3169 -8.3154 -8.3142 -8.3121 -8.3093 -8.3073 -8.3059 -8.3037 -8.3012 -8.2961 -8.2921 -8.2794 -8.2700 -8.2672 -8.2649 -8.2624 -8.2593 -8.2582 -8.2539 -8.2494 -8.2353 -8.2314 -8.2304 -8.2244 -8.2195 -8.2146 -8.2011 -8.1880 -8.1796 -8.1772 -8.1728 -8.1491 -8.1462 -8.1405 -8.1382 -8.1207 -8.1194 -8.1067 -8.0988 -8.0972 -8.0745 -8.0251 -8.0036 -7.9931 -7.9789 -7.9509 -7.9488 -7.8830 -7.5910 -7.1984 -6.9555 -6.8594 -6.4896 -6.4710 -6.2812 -5.8192 -5.6419 -5.5890 -5.5762 -5.4256 -5.0947 -5.0047 -4.9892 -4.9427 -4.5199 -4.3101 -4.2713 -4.2241 -4.1593 -4.1373 -3.8165 -3.5836 -3.5610 -3.4070 -3.2918 -3.0026 -2.9559 -2.8122 -2.7881 -2.7473 -2.6867 -2.6320 -2.2149 -2.0508 -1.6412 -1.6301 -1.5427 -1.4790 -1.4486 -1.3698 -1.3294 -1.2442 -0.7695 -0.7630 -0.7038 -0.6572 -0.6530 -0.5689 -0.3039 -0.2898 -0.1074 0.0538 0.1533 0.1879 0.2063 0.6958 0.7709 0.9041 0.9214 0.9653 1.2716 1.2905 1.3585 1.5560 1.5852 1.6107 1.6433 1.6756 1.7732 1.8269 2.1761 2.2168 2.2635 2.2890 2.3368 2.4984 2.5083 2.5568 2.6305 2.7128 2.7758 3.0451 3.0637 3.1045 3.2992 3.3894 3.4069 3.4436 3.5109 3.5336 3.7600 3.7855 3.8068 3.8530 3.8792 3.9079 3.9695 3.9822 4.0943 4.1325 4.1994 4.2957 4.3221 4.3476 4.3913 4.4694 4.5797 4.6229 4.7655 4.8084 4.8550 4.9123 4.9407 5.0379 5.0707 5.1218 5.2133 5.2858 5.3248 5.3827 5.4136 5.4279 5.6008 -22.5527 -15.4220 -13.1587 -11.4522 -9.6125 -9.6081 -9.5590 -9.4946 -9.4931 -9.4459 -9.4424 -9.4364 -9.4339 -9.4013 -9.3915 -9.3727 -9.3676 -9.3624 -9.3312 -9.3296 -9.3247 -9.3226 -9.3115 -9.3010 -9.2931 -9.2909 -9.2847 -9.2813 -9.2738 -9.2690 -9.2629 -9.2491 -9.2476 -9.2363 -9.2291 -9.2215 -9.2184 -9.2065 -9.2045 -9.1957 -9.1844 -9.1824 -9.1794 -9.1743 -9.1701 -9.1652 -9.1599 -9.1535 -9.1509 -9.1447 -9.1432 -9.1381 -9.1374 -9.1230 -9.1151 -9.1047 -9.1022 -9.0907 -9.0826 -9.0743 -9.0721 -9.0632 -9.0562 -9.0527 -9.0480 -9.0430 -9.0355 -9.0298 -9.0204 -9.0155 -9.0125 -9.0114 -8.9996 -8.9960 -8.9946 -8.9891 -8.9858 -8.9784 -8.9548 -8.9524 -8.9443 -8.9403 -8.9354 -8.9277 -8.9200 -8.8964 -8.8900 -8.8867 -8.8837 -8.8831 -8.8794 -8.8708 -8.8679 -8.8650 -8.8600 -8.8523 -8.8500 -8.8479 -8.8409 -8.8356 -8.8302 -8.8271 -8.8197 -8.8132 -8.8010 -8.7886 -8.7794 -8.7706 -8.7680 -8.7648 -8.7556 -8.7524 -8.7381 -8.7327 -8.7318 -8.7239 -8.7159 -8.7095 -8.7063 -8.7045 -8.6958 -8.6936 -8.6843 -8.6818 -8.6690 -8.6659 -8.6574 -8.6506 -8.6454 -8.6403 -8.6370 -8.6320 -8.6301 -8.6242 -8.6153 -8.6062 -8.6001 -8.5974 -8.5913 -8.5899 -8.5862 -8.5844 -8.5819 -8.5782 -8.5771 -8.5728 -8.5668 -8.5640 -8.5576 -8.5539 -8.5495 -8.5466 -8.5412 -8.5383 -8.5368 -8.5323 -8.5295 -8.5238 -8.5202 -8.5185 -8.5142 -8.5078 -8.4975 -8.4948 -8.4925 -8.4909 -8.4877 -8.4853 -8.4750 -8.4712 -8.4673 -8.4627 -8.4597 -8.4374 -8.4343 -8.4303 -8.4284 -8.4230 -8.4079 -8.4011 -8.3972 -8.3926 -8.3895 -8.3854 -8.3846 -8.3811 -8.3764 -8.3718 -8.3594 -8.3564 -8.3531 -8.3512 -8.3485 -8.3435 -8.3376 -8.3355 -8.3272 -8.3253 -8.3219 -8.3204 -8.3147 -8.3122 -8.3098 -8.3089 -8.3073 -8.3042 -8.3034 -8.3016 -8.2968 -8.2942 -8.2743 -8.2667 -8.2654 -8.2646 -8.2618 -8.2603 -8.2570 -8.2557 -8.2526 -8.2355 -8.2345 -8.2295 -8.2245 -8.2198 -8.2112 -8.2034 -8.1866 -8.1809 -8.1774 -8.1721 -8.1467 -8.1454 -8.1404 -8.1364 -8.1213 -8.1193 -8.1157 -8.0987 -8.0980 -8.0747 -8.0266 -8.0019 -7.9933 -7.9790 -7.9504 -7.9493 -7.8845 -7.5936 -7.2067 -6.9745 -6.8225 -6.4904 -6.4831 -6.2683 -5.8173 -5.6299 -5.6002 -5.5865 -5.4202 -5.0779 -5.0022 -4.9896 -4.9635 -4.5138 -4.3407 -4.2614 -4.2196 -4.1600 -4.1445 -3.8048 -3.5781 -3.5670 -3.3988 -3.2877 -3.0130 -2.9627 -2.8358 -2.7659 -2.7615 -2.7003 -2.5710 -2.2269 -2.0515 -1.6472 -1.6254 -1.5366 -1.4803 -1.4677 -1.3625 -1.3204 -1.2448 -0.7724 -0.7625 -0.7034 -0.6593 -0.6514 -0.5757 -0.3072 -0.2831 -0.1113 0.0497 0.1411 0.1822 0.2152 0.7013 0.7657 0.9099 0.9166 0.9662 1.2726 1.2886 1.3622 1.5730 1.5909 1.6209 1.6316 1.6400 1.7777 1.8268 2.1742 2.2077 2.2663 2.3173 2.3295 2.5007 2.5083 2.5567 2.6319 2.7152 2.7786 3.0286 3.0681 3.1056 3.2807 3.3767 3.4195 3.4432 3.5093 3.5340 3.7708 3.7982 3.8110 3.8486 3.8870 3.9004 3.9631 4.0354 4.0543 4.1478 4.1870 4.3026 4.3165 4.3438 4.4007 4.4787 4.5686 4.6255 4.7021 4.8215 4.8577 4.9249 4.9619 4.9896 5.0703 5.1017 5.1913 5.2754 5.3087 5.3581 5.3846 5.5337 5.6902 -22.5527 -15.4220 -13.1587 -11.4522 -9.5464 -9.5446 -9.5439 -9.4287 -9.4284 -9.4278 -9.4045 -9.4022 -9.3992 -9.3981 -9.3973 -9.3966 -9.3662 -9.3656 -9.3632 -9.3108 -9.3086 -9.3062 -9.3031 -9.2998 -9.2972 -9.2967 -9.2930 -9.2889 -9.2752 -9.2718 -9.2689 -9.2669 -9.2641 -9.2604 -9.2520 -9.2515 -9.2513 -9.2410 -9.2403 -9.2394 -9.2028 -9.1991 -9.1947 -9.1932 -9.1873 -9.1841 -9.1814 -9.1767 -9.1734 -9.1339 -9.1264 -9.1247 -9.1204 -9.1187 -9.1165 -9.1144 -9.1126 -9.1118 -9.1059 -9.1040 -9.0995 -9.0938 -9.0864 -9.0848 -9.0838 -9.0822 -9.0812 -9.0803 -9.0792 -9.0767 -9.0708 -9.0674 -9.0604 -9.0055 -9.0042 -9.0031 -8.9998 -8.9952 -8.9926 -8.9881 -8.9868 -8.9805 -8.9252 -8.9173 -8.9137 -8.8894 -8.8845 -8.8781 -8.8759 -8.8751 -8.8736 -8.8686 -8.8670 -8.8649 -8.8257 -8.8215 -8.8196 -8.8194 -8.8167 -8.8141 -8.8115 -8.8098 -8.8095 -8.7979 -8.7902 -8.7831 -8.7807 -8.7710 -8.7673 -8.7584 -8.7550 -8.7524 -8.7142 -8.7130 -8.7124 -8.7106 -8.7086 -8.7067 -8.6952 -8.6931 -8.6902 -8.6835 -8.6735 -8.6718 -8.6650 -8.6510 -8.6472 -8.6354 -8.6325 -8.6295 -8.6113 -8.6011 -8.6002 -8.5955 -8.5913 -8.5904 -8.5866 -8.5835 -8.5825 -8.5796 -8.5783 -8.5773 -8.5736 -8.5651 -8.5397 -8.5361 -8.5327 -8.5180 -8.5158 -8.5123 -8.5086 -8.5050 -8.5045 -8.5020 -8.5004 -8.4976 -8.4958 -8.4909 -8.4849 -8.4704 -8.4671 -8.4655 -8.4624 -8.4609 -8.4595 -8.4540 -8.4516 -8.4493 -8.4459 -8.4411 -8.4354 -8.4329 -8.4322 -8.4294 -8.4268 -8.4249 -8.4224 -8.4161 -8.4146 -8.4041 -8.4019 -8.4008 -8.3989 -8.3967 -8.3951 -8.3944 -8.3923 -8.3887 -8.3867 -8.3838 -8.3822 -8.3739 -8.3728 -8.3697 -8.3687 -8.3669 -8.3647 -8.3610 -8.3588 -8.3581 -8.3270 -8.3260 -8.3233 -8.3221 -8.3205 -8.3193 -8.3135 -8.3112 -8.3098 -8.2968 -8.2881 -8.2851 -8.2836 -8.2800 -8.2733 -8.2700 -8.2636 -8.2634 -8.2632 -8.2377 -8.2364 -8.2361 -8.2010 -8.2004 -8.1983 -8.1972 -8.1963 -8.1920 -8.1544 -8.1490 -8.1447 -8.1120 -8.1101 -8.1062 -8.1042 -8.1040 -8.1039 -8.0977 -8.0941 -8.0822 -8.0627 -8.0623 -8.0605 -8.0591 -8.0581 -8.0576 -7.6006 -7.4554 -7.4471 -7.4233 -6.8637 -6.5141 -6.5038 -6.4794 -5.8003 -5.4425 -5.2972 -5.2829 -5.2765 -5.2341 -5.2057 -5.1783 -5.0253 -4.5018 -4.4299 -4.4187 -4.3508 -3.5339 -3.5019 -3.4037 -3.2377 -3.2068 -3.1971 -3.0499 -3.0446 -3.0382 -3.0332 -3.0185 -3.0157 -2.7412 -2.2439 -2.2336 -2.2300 -2.2216 -2.2156 -2.2029 -1.7045 -1.6968 -1.6790 -1.1198 -1.1115 -1.1079 -1.1039 -1.0990 -1.0684 -0.8637 -0.8489 -0.7527 0.2409 0.2472 0.2635 0.2766 0.3032 0.3155 1.2391 1.2409 1.2559 1.2603 1.2676 1.2731 1.3075 1.3149 1.3445 1.3628 1.4245 1.5818 2.0127 2.0160 2.0221 2.0269 2.0326 2.0376 2.9329 2.9467 2.9623 2.9679 2.9774 2.9839 3.0482 3.0766 3.1331 3.1820 3.2144 3.2595 3.3051 3.3222 3.3332 3.4006 3.4364 3.4490 3.4668 3.4899 3.5604 4.1083 4.1164 4.1283 4.2219 4.2704 4.2892 4.3051 4.3155 4.3199 4.3442 4.3707 4.4455 4.5256 4.6625 4.6958 4.7635 4.7951 4.9092 4.9542 4.9774 4.9871 5.0004 5.0385 5.1745 5.2112 5.2534 5.3139 5.5015 5.5549</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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.98951 1.50189 0.82412 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.98006 1.51328 0.86419 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99625 1.66431 0.55491 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.07122 0.03567 0.00411 0.00049 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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">-0.012424 0.016164 0.094240 0.015215 -0.017779 0.081766 0.002143 0.021845 0.066132 0.005385 -0.004415 0.071064 -0.003483 0.014858 0.094723 0.006001 -0.003100 0.034839 0.016694 -0.020874 0.067188 -0.008348 0.011927 0.024320 0.006481 -0.021749 0.081779 -0.005617 0.007047 0.032275 -0.000786 -0.011902 0.061231 -0.017870 0.011672 0.082806 -0.000517 -0.000668 -0.094527 -0.010468 -0.004770 -0.112363 -0.004989 -0.009390 -0.105261 0.003425 0.000647 -0.111950 0.003610 -0.017664 -0.118006 0.011864 -0.005909 -0.103409 -0.006598 -0.009671 -0.102390 0.006297 0.015901 -0.109323 -0.010471 0.005725 -0.115732 -0.001159 0.008412 -0.100938 0.003407 0.000554 -0.104725 0.010137 0.017692 -0.116084 0.002819 0.001857 0.007213 0.008737 -0.001377 0.016668 0.006786 0.002903 -0.006230 0.003011 0.004054 -0.008800 -0.003583 -0.001115 0.020496 -0.002263 0.007224 -0.004986 0.006220 -0.005062 0.001048 0.000929 -0.010997 -0.031537 0.002681 -0.013032 -0.007438 0.004645 -0.001797 -0.018498 -0.004209 0.003207 -0.007076 -0.007296 -0.010275 0.009697 -0.006661 -0.003036 0.003794 0.004369 0.006160 -0.002922 -0.001296 -0.007063 -0.005610 0.003293 -0.000844 -0.009655 -0.001415 -0.004670 -0.008157 -0.011010 -0.000214 -0.020904 0.000728 -0.003607 -0.026523 -0.006110 -0.003676 -0.003290 0.000710 -0.001086 -0.011516 -0.003044 -0.010201 0.033355 -0.005218 -0.000867 0.020831 -0.001009 -0.013524 -0.007690 0.059313 0.053582 0.012221 0.008056 -0.121935 0.101388 -0.054300 -0.110607 -0.199630 -0.084718 -0.049777 0.004682 -0.024860 -0.048221 0.028867 -0.072001 0.013589 0.046722 0.017804 0.060110 -0.020567 0.023155 -0.069100 0.159147 -0.111478 0.193761 0.257608 -0.044918 0.082768 0.238163 0.064658 0.005021 -0.028115 0.219546 0.053295 -0.030406 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">-99.51237580</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-99.48935422</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-99.50086501</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.2026</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5893497E-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="0.87025577"
                        xFract="-0.00026955"
                        y3="1.51222918"
                        yFract="0.16631182"
                        z3="5.7688166"
                        zFract="0.28844083"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.49943436"
                        xFract="0.33375313"
                        y3="-0.0082588"
                        yFract="-0.00090829"
                        z3="5.76378802"
                        zFract="0.2881894"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49754457"
                        xFract="0.16658046"
                        y3="3.02858125"
                        yFract="0.33307707"
                        z3="5.7118904"
                        zFract="0.28559452"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.12974199"
                        xFract="0.50099776"
                        y3="1.50614575"
                        yFract="0.16564278"
                        z3="5.71191551"
                        zFract="0.28559578"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="8.75268684"
                        xFract="0.83375652"
                        y3="-0.00215431"
                        yFract="-0.00023693"
                        z3="5.76810812"
                        zFract="0.28840541"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.74565004"
                        xFract="0.66634211"
                        y3="3.03016699"
                        yFract="0.33325147"
                        z3="5.77329027"
                        zFract="0.28866451"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="3.50216654"
                        xFract="0.00060577"
                        y3="6.05491415"
                        yFract="0.66590688"
                        z3="5.760169"
                        zFract="0.28800845"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.13509552"
                        xFract="0.33431476"
                        y3="4.54662671"
                        yFract="0.50002856"
                        z3="5.76103032"
                        zFract="0.28805152"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12804294"
                        xFract="0.16736103"
                        y3="7.57054312"
                        yFract="0.83259261"
                        z3="5.72972377"
                        zFract="0.28648619"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.73993853"
                        xFract="0.49970125"
                        y3="6.05071652"
                        yFract="0.66544523"
                        z3="5.76681892"
                        zFract="0.28834095"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37356621"
                        xFract="0.83372176"
                        y3="4.53797411"
                        yFract="0.49907697"
                        z3="5.71338423"
                        zFract="0.28566921"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37065254"
                        xFract="0.66638594"
                        y3="7.57600767"
                        yFract="0.83319359"
                        z3="5.72968676"
                        zFract="0.28648434"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.25239734"
                        xFract="0.00159673"
                        y3="9.06838168"
                        yFract="0.99732178"
                        z3="8.58444791"
                        zFract="0.4292224"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62515894"
                        xFract="0.16781723"
                        y3="1.49507378"
                        yFract="0.16442511"
                        z3="8.57162068"
                        zFract="0.42858103"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.25193148"
                        xFract="0.33514506"
                        y3="3.00184238"
                        yFract="0.33013639"
                        z3="8.46413854"
                        zFract="0.42320693"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.50221287"
                        xFract="0.50141871"
                        y3="9.07183228"
                        yFract="0.99770127"
                        z3="8.57063796"
                        zFract="0.4285319"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87421504"
                        xFract="0.66772536"
                        y3="1.49564234"
                        yFract="0.16448764"
                        z3="8.58009349"
                        zFract="0.42900467"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49742344"
                        xFract="0.83427216"
                        y3="3.0104411"
                        yFract="0.33108206"
                        z3="8.55777907"
                        zFract="0.42788895"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62228178"
                        xFract="0.00088952"
                        y3="4.52574888"
                        yFract="0.49773246"
                        z3="8.54700393"
                        zFract="0.4273502"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.26139808"
                        xFract="0.16905922"
                        y3="6.03858767"
                        yFract="0.66411133"
                        z3="8.54889933"
                        zFract="0.42744497"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87456815"
                        xFract="0.33512555"
                        y3="7.54473722"
                        yFract="0.82975453"
                        z3="8.57840884"
                        zFract="0.42892044"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.8705047"
                        xFract="0.50173929"
                        y3="4.50775027"
                        yFract="0.49575301"
                        z3="8.82986883"
                        zFract="0.44149344"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49226683"
                        xFract="0.66747763"
                        y3="6.03474612"
                        yFract="0.66368884"
                        z3="8.49713821"
                        zFract="0.42485691"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12177511"
                        xFract="0.83427445"
                        y3="7.55590974"
                        yFract="0.83098326"
                        z3="8.57692491"
                        zFract="0.42884625"/>
                  <atom elementType="H"
                        id="a49"
                        x3="4.8306752"
                        xFract="0.20122925"
                        y3="4.70752683"
                        yFract="0.51772402"
                        z3="12.67415703"
                        zFract="0.63370785"/>
                  <atom elementType="H"
                        id="a50"
                        x3="5.93813461"
                        xFract="0.38309143"
                        y3="3.31845383"
                        yFract="0.36495666"
                        z3="12.88640971"
                        zFract="0.64432049"/>
                  <atom elementType="H"
                        id="a51"
                        x3="5.50234304"
                        xFract="0.31074284"
                        y3="3.87933363"
                        yFract="0.42664105"
                        z3="11.24891084"
                        zFract="0.56244554"/>
                  <atom elementType="H"
                        id="a52"
                        x3="7.13532134"
                        xFract="0.37814734"
                        y3="5.48195267"
                        yFract="0.60289377"
                        z3="13.32396802"
                        zFract="0.6661984"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.68658572"
                        xFract="0.302732"
                        y3="6.07618317"
                        yFract="0.668246"
                        z3="11.69632379"
                        zFract="0.58481619"/>
                  <atom elementType="H"
                        id="a54"
                        x3="10.07795992"
                        xFract="0.70401766"
                        y3="4.65264791"
                        yFract="0.51168855"
                        z3="11.5668696"
                        zFract="0.57834348"/>
                  <atom elementType="H"
                        id="a55"
                        x3="9.40371553"
                        xFract="0.60470082"
                        y3="5.29094559"
                        yFract="0.58188721"
                        z3="13.11513797"
                        zFract="0.6557569"/>
                  <atom elementType="H"
                        id="a56"
                        x3="9.2329571"
                        xFract="0.53643479"
                        y3="6.23663315"
                        yFract="0.68589196"
                        z3="11.5914975"
                        zFract="0.57957487"/>
                  <atom elementType="C"
                        id="a57"
                        x3="5.72546241"
                        xFract="0.31396724"
                        y3="4.20715067"
                        yFract="0.46269369"
                        z3="12.27542728"
                        zFract="0.61377136"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.90125913"
                        xFract="0.37338113"
                        y3="5.16322076"
                        yFract="0.56784029"
                        z3="12.28911418"
                        zFract="0.61445571"/>
                  <atom elementType="C"
                        id="a59"
                        x3="9.25185178"
                        xFract="0.59435738"
                        y3="5.21601023"
                        yFract="0.57364597"
                        z3="12.02204118"
                        zFract="0.60110206"/>
                  <atom elementType="O"
                        id="a60"
                        x3="8.04978957"
                        xFract="0.51904469"
                        y3="4.50357389"
                        yFract="0.4952937"
                        z3="11.73404035"
                        zFract="0.58670202"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a32 a44" 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 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a47" 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 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a60" 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>
