<?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">2022-04-05T09:37:26.000</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="0.87354625"
                        xFract="0.00035537"
                        y3="1.50656392"
                        yFract="0.16568877"
                        z3="5.758651"
                        zFract="0.28793255"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.74684524"
                        xFract="0.33347835"
                        y3="9.08552048"
                        yFract="0.99920667"
                        z3="5.7465954"
                        zFract="0.28732977"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.50267548"
                        xFract="0.16688614"
                        y3="3.03190933"
                        yFract="0.33344309"
                        z3="5.7272078"
                        zFract="0.28636039"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.12846984"
                        xFract="0.50065044"
                        y3="1.51025857"
                        yFract="0.1660951"
                        z3="5.7446032"
                        zFract="0.28723016"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.00267388"
                        xFract="0.83398728"
                        y3="9.08689358"
                        yFract="0.99935768"
                        z3="5.7690004"
                        zFract="0.28845002"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.74710358"
                        xFract="0.66679599"
                        y3="3.02443065"
                        yFract="0.3326206"
                        z3="5.7398632"
                        zFract="0.28699316"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="3.50918442"
                        xFract="0.00110169"
                        y3="6.05805095"
                        yFract="0.66625186"
                        z3="5.7829518"
                        zFract="0.28914759"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.11985699"
                        xFract="0.33260201"
                        y3="4.55138002"
                        yFract="0.50055132"
                        z3="5.7675382"
                        zFract="0.28837691"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12022715"
                        xFract="0.16679926"
                        y3="7.56722176"
                        yFract="0.83222733"
                        z3="5.7752218"
                        zFract="0.28876109"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.74501399"
                        xFract="0.49958733"
                        y3="6.06157912"
                        yFract="0.66663988"
                        z3="5.7154584"
                        zFract="0.28577292"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.38065919"
                        xFract="0.83427848"
                        y3="4.54013531"
                        yFract="0.49931465"
                        z3="5.7266926"
                        zFract="0.28633463"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.38215021"
                        xFract="0.66760029"
                        y3="7.57383872"
                        yFract="0.83295505"
                        z3="5.727215"
                        zFract="0.28636075"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.25228599"
                        xFract="0.00056034"
                        y3="9.08703615"
                        yFract="0.99937336"
                        z3="8.626476"
                        zFract="0.4313238"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62739489"
                        xFract="0.16691681"
                        y3="1.51532113"
                        yFract="0.16665187"
                        z3="8.5466902"
                        zFract="0.42733451"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.25461848"
                        xFract="0.33358797"
                        y3="3.03481282"
                        yFract="0.33376241"
                        z3="8.5467442"
                        zFract="0.42733721"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.50330261"
                        xFract="0.50065793"
                        y3="9.08755498"
                        yFract="0.99943042"
                        z3="8.54838"
                        zFract="0.427419"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.8772803"
                        xFract="0.66729337"
                        y3="1.50880746"
                        yFract="0.16593551"
                        z3="8.551543"
                        zFract="0.42757715"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.5023857"
                        xFract="0.8337776"
                        y3="3.02802973"
                        yFract="0.33301642"
                        z3="8.5472378"
                        zFract="0.42736189"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.63001611"
                        xFract="0.00050952"
                        y3="4.54605568"
                        yFract="0.49996576"
                        z3="8.5756828"
                        zFract="0.42878414"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.25515584"
                        xFract="0.16709272"
                        y3="6.0635376"
                        yFract="0.66685527"
                        z3="8.8254156"
                        zFract="0.44127078"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87126563"
                        xFract="0.33325659"
                        y3="7.57300492"
                        yFract="0.83286335"
                        z3="8.5773512"
                        zFract="0.42886756"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.87124164"
                        xFract="0.49976244"
                        y3="4.54497655"
                        yFract="0.49984708"
                        z3="8.548559"
                        zFract="0.42742795"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.50223099"
                        xFract="0.66682453"
                        y3="6.06388149"
                        yFract="0.66689309"
                        z3="8.4874106"
                        zFract="0.42437053"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.13007756"
                        xFract="0.83417088"
                        y3="7.57217357"
                        yFract="0.83277192"
                        z3="8.621843"
                        zFract="0.43109215"/>
                  <atom elementType="H"
                        id="a49"
                        x3="8.10916636"
                        xFract="0.5855077"
                        y3="3.39775657"
                        yFract="0.37367821"
                        z3="11.9700252"
                        zFract="0.59850126"/>
                  <atom elementType="H"
                        id="a50"
                        x3="9.1111046"
                        xFract="0.56447185"
                        y3="5.51571129"
                        yFract="0.60660647"
                        z3="13.1148252"
                        zFract="0.65574126"/>
                  <atom elementType="H"
                        id="a51"
                        x3="8.42165215"
                        xFract="0.45262016"
                        y3="6.35561995"
                        yFract="0.69897788"
                        z3="11.6929274"
                        zFract="0.58464637"/>
                  <atom elementType="H"
                        id="a52"
                        x3="9.72765767"
                        xFract="0.64281208"
                        y3="5.15895878"
                        yFract="0.56737157"
                        z3="11.4638274"
                        zFract="0.57319137"/>
                  <atom elementType="H"
                        id="a53"
                        x3="3.94392074"
                        xFract="0.14690527"
                        y3="4.15953001"
                        yFract="0.45745647"
                        z3="11.371217"
                        zFract="0.56856085"/>
                  <atom elementType="H"
                        id="a54"
                        x3="4.19121711"
                        xFract="0.1669888"
                        y3="4.22263149"
                        yFract="0.46439624"
                        z3="13.1365752"
                        zFract="0.65682876"/>
                  <atom elementType="H"
                        id="a55"
                        x3="3.94869607"
                        xFract="0.28555929"
                        y3="1.64631287"
                        yFract="0.18105807"
                        z3="11.4384634"
                        zFract="0.57192317"/>
                  <atom elementType="H"
                        id="a56"
                        x3="2.68454556"
                        xFract="0.12921016"
                        y3="2.30002207"
                        yFract="0.25295165"
                        z3="12.5105612"
                        zFract="0.62552806"/>
                  <atom elementType="H"
                        id="a57"
                        x3="4.20966458"
                        xFract="0.30837947"
                        y3="1.68332794"
                        yFract="0.18512891"
                        z3="13.2079804"
                        zFract="0.66039902"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.49530796"
                        xFract="0.36394068"
                        y3="4.63177179"
                        yFract="0.50939264"
                        z3="11.9636726"
                        zFract="0.59818363"/>
                  <atom elementType="C"
                        id="a59"
                        x3="8.83168457"
                        xFract="0.54402667"
                        y3="5.40354678"
                        yFract="0.59427085"
                        z3="12.053286"
                        zFract="0.6026643"/>
                  <atom elementType="C"
                        id="a60"
                        x3="4.35930822"
                        xFract="0.21645729"
                        y3="3.61416619"
                        yFract="0.39747849"
                        z3="12.2351072"
                        zFract="0.61175536"/>
                  <atom elementType="C"
                        id="a61"
                        x3="3.77137269"
                        xFract="0.23678637"
                        y3="2.22613815"
                        yFract="0.24482605"
                        z3="12.3578182"
                        zFract="0.61789091"/>
                  <atom elementType="N"
                        id="a62"
                        x3="7.83110196"
                        xFract="0.50567906"
                        y3="4.36785609"
                        yFract="0.48036774"
                        z3="11.8615216"
                        zFract="0.59307608"/>
                  <atom elementType="O"
                        id="a63"
                        x3="5.9858557"
                        xFract="0.25380952"
                        y3="5.75216129"
                        yFract="0.63261075"
                        z3="11.9509318"
                        zFract="0.59754659"/>
                  <atom elementType="O"
                        id="a64"
                        x3="5.79303455"
                        xFract="0.36149757"
                        y3="3.45982767"
                        yFract="0.38050466"
                        z3="12.0449838"
                        zFract="0.60224919"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 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 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" 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 a45" 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="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 a47" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" 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 a62" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a64" order="S"/>
                  <bond atomRefs2="a58 a63" order="S"/>
                  <bond atomRefs2="a59 a62" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
               </bondArray>
               <formula concise="C4H9Cd48NO2">
                  <atomArray count="4 9 48 1 2" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5489.7763</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">618.0000</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="5">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Cd H C N O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">112.41 1.00 12.01 14.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">12.00 1.00 4.00 5.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">48 9 4 1 2</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">-23.8656 -21.5150 -19.5479 -15.4721 -13.8599 -11.8113 -10.7305 -9.9572 -9.5381 -9.5374 -9.5361 -9.4422 -9.4417 -9.4413 -9.3866 -9.3123 -9.3079 -9.3067 -9.2861 -9.2857 -9.2854 -9.2756 -9.2205 -9.2189 -9.2162 -9.1493 -9.1292 -9.1207 -9.1177 -9.1159 -9.1020 -9.1013 -9.0993 -9.0984 -9.0976 -9.0926 -9.0789 -9.0773 -9.0753 -9.0719 -9.0690 -9.0660 -9.0449 -9.0447 -9.0083 -9.0040 -9.0025 -9.0008 -8.9971 -8.9923 -8.9596 -8.9580 -8.9509 -8.9490 -8.9479 -8.9472 -8.9464 -8.9436 -8.9395 -8.9369 -8.9182 -8.9157 -8.9141 -8.8938 -8.8934 -8.8925 -8.8918 -8.8909 -8.8852 -8.8847 -8.8817 -8.8507 -8.8505 -8.8441 -8.8434 -8.8382 -8.8375 -8.8337 -8.8327 -8.8305 -8.8296 -8.8173 -8.8157 -8.8136 -8.8122 -8.8108 -8.8103 -8.8074 -8.8060 -8.8044 -8.8038 -8.8035 -8.8025 -8.8023 -8.8007 -8.7992 -8.7985 -8.7875 -8.7784 -8.7765 -8.7508 -8.7506 -8.7189 -8.7153 -8.7141 -8.7138 -8.7128 -8.7112 -8.7071 -8.7063 -8.6886 -8.6885 -8.6758 -8.6742 -8.6704 -8.6703 -8.6631 -8.6578 -8.6576 -8.6534 -8.6528 -8.6491 -8.6471 -8.6430 -8.6410 -8.6388 -8.6374 -8.6273 -8.6082 -8.6074 -8.6071 -8.6063 -8.6050 -8.6048 -8.6007 -8.5994 -8.5958 -8.5941 -8.5924 -8.5430 -8.5418 -8.5319 -8.5273 -8.5091 -8.5090 -8.5077 -8.5065 -8.4817 -8.4808 -8.4766 -8.4755 -8.4728 -8.4700 -8.4655 -8.4639 -8.4366 -8.4281 -8.4275 -8.4259 -8.4226 -8.4220 -8.4201 -8.4189 -8.4159 -8.4130 -8.4117 -8.4103 -8.4023 -8.3996 -8.3978 -8.3640 -8.3627 -8.3479 -8.3473 -8.3456 -8.3451 -8.3431 -8.3254 -8.2610 -8.2579 -8.2572 -8.2568 -8.2546 -8.2522 -8.2495 -8.2486 -8.2466 -8.2455 -8.2448 -8.2427 -8.2412 -8.2354 -8.2345 -8.2341 -8.2332 -8.2327 -8.2318 -8.2295 -8.2286 -8.2130 -8.2097 -8.2088 -8.1989 -8.1979 -8.1971 -8.1946 -8.1942 -8.1941 -8.1936 -8.1932 -8.1927 -8.1908 -8.1889 -8.1813 -8.1804 -8.1561 -8.1520 -8.1488 -8.1463 -8.1448 -8.1438 -8.1403 -8.1383 -8.1356 -8.1303 -8.1253 -8.1200 -8.1198 -8.1153 -8.1131 -8.1127 -8.1124 -8.1118 -8.1104 -8.1102 -8.1013 -8.0995 -8.0914 -7.9621 -7.9616 -7.9600 -7.9547 -7.9271 -7.9259 -7.9253 -7.7950 -7.7940 -7.7930 -7.7690 -7.7683 -7.7677 -7.4040 -7.1506 -7.0618 -6.3190 -6.2793 -5.8442 -5.8287 -5.8226 -5.8138 -5.8001 -5.7966 -5.7709 -5.7278 -5.7157 -5.0480 -4.9988 -4.9963 -4.9923 -4.9789 -4.9500 -4.9260 -4.7553 -3.9708 -3.8002 -3.7702 -3.7589 -3.7566 -3.7499 -3.7469 -3.3560 -2.7800 -2.5821 -2.2492 -2.2447 -2.2409 -2.2285 -2.2045 -2.1735 -1.7015 -1.6983 -1.6944 -1.5993 -1.4179 -1.4161 -1.4073 -0.9707 -0.9605 -0.9579 -0.8325 -0.8294 -0.8237 0.4764 0.4780 0.4945 0.4969 0.5777 0.5885 0.5971 0.6937 0.7000 0.7155 0.7347 0.7568 0.7732 0.7804 0.7876 0.8097 0.8502 0.9825 0.9839 1.2499 1.2534 1.2708 1.2812 1.5730 1.5762 1.5860 1.7743 1.7758 2.0826 2.0859 2.1023 2.3740 2.3776 2.3867 2.3970 2.5658 2.6825 2.6869 2.7091 2.7471 2.7756 2.8041 2.8395 2.8522 3.5216 3.7659 3.8451 3.8470 3.8733 3.8820 3.9062 3.9144 3.9194 3.9876 4.0086 4.0337 4.1198 4.1878 4.3338 4.3744 4.5099 4.6633 5.2440 5.3925 5.4287 5.4889 5.5607 5.6272 5.6830 5.8836 -23.8656 -21.5150 -19.5479 -15.4720 -13.8603 -11.8113 -10.7304 -9.9562 -9.4738 -9.4724 -9.4220 -9.3772 -9.3762 -9.3242 -9.3070 -9.2996 -9.2972 -9.2612 -9.2580 -9.2478 -9.2450 -9.2229 -9.2216 -9.2211 -9.2056 -9.2042 -9.1967 -9.1800 -9.1683 -9.1654 -9.1611 -9.1599 -9.1479 -9.1453 -9.1267 -9.1196 -9.1063 -9.0930 -9.0905 -9.0870 -9.0839 -9.0821 -9.0759 -9.0732 -9.0688 -9.0553 -9.0546 -9.0537 -9.0507 -9.0486 -9.0376 -9.0328 -9.0297 -9.0265 -9.0246 -9.0214 -9.0145 -9.0075 -9.0057 -9.0007 -8.9802 -8.9667 -8.9614 -8.9578 -8.9485 -8.9259 -8.9195 -8.9167 -8.9118 -8.9110 -8.9088 -8.9043 -8.8986 -8.8955 -8.8941 -8.8846 -8.8830 -8.8812 -8.8796 -8.8757 -8.8742 -8.8697 -8.8565 -8.8270 -8.8216 -8.8154 -8.8120 -8.8104 -8.8079 -8.7925 -8.7893 -8.7762 -8.7751 -8.7727 -8.7587 -8.7564 -8.7514 -8.7480 -8.7463 -8.7422 -8.7396 -8.7294 -8.7262 -8.7204 -8.7201 -8.7160 -8.7107 -8.7018 -8.6804 -8.6534 -8.6532 -8.6480 -8.6402 -8.6382 -8.6355 -8.6279 -8.6136 -8.6131 -8.6099 -8.5976 -8.5956 -8.5918 -8.5865 -8.5818 -8.5723 -8.5614 -8.5580 -8.5498 -8.5481 -8.5416 -8.5392 -8.5361 -8.5307 -8.5227 -8.5206 -8.5147 -8.5121 -8.5102 -8.5032 -8.4858 -8.4789 -8.4741 -8.4725 -8.4690 -8.4655 -8.4642 -8.4607 -8.4591 -8.4510 -8.4481 -8.4444 -8.4400 -8.4357 -8.4325 -8.4307 -8.4282 -8.4247 -8.4225 -8.4167 -8.4126 -8.4112 -8.4080 -8.4021 -8.3999 -8.3963 -8.3946 -8.3928 -8.3884 -8.3844 -8.3817 -8.3774 -8.3690 -8.3637 -8.3605 -8.3563 -8.3452 -8.3262 -8.3217 -8.3194 -8.3177 -8.3154 -8.2953 -8.2897 -8.2867 -8.2799 -8.2771 -8.2764 -8.2738 -8.2694 -8.2651 -8.2516 -8.2499 -8.2465 -8.2449 -8.2432 -8.2406 -8.2291 -8.2282 -8.2269 -8.2196 -8.2193 -8.2155 -8.2131 -8.2119 -8.2093 -8.2080 -8.2057 -8.2044 -8.2019 -8.1951 -8.1910 -8.1894 -8.1877 -8.1717 -8.1660 -8.1625 -8.1607 -8.1596 -8.1590 -8.1577 -8.1554 -8.1501 -8.1287 -8.1277 -8.1215 -8.1201 -8.1191 -8.1161 -8.1036 -8.0933 -8.0641 -8.0581 -8.0479 -8.0446 -8.0434 -8.0311 -8.0306 -8.0271 -8.0094 -8.0082 -8.0039 -8.0031 -8.0021 -7.9777 -7.9087 -7.8862 -7.8823 -7.8810 -7.8576 -7.8571 -7.7278 -7.4090 -7.1580 -7.0338 -6.8339 -6.3446 -6.3282 -6.3101 -6.2687 -6.1501 -5.8358 -5.7149 -5.5188 -5.4820 -5.4659 -4.9962 -4.8721 -4.8444 -4.8324 -4.7536 -4.2254 -4.2155 -4.0703 -4.0496 -4.0334 -3.7898 -3.4526 -3.4163 -3.3975 -3.2761 -3.2092 -2.8706 -2.8578 -2.7875 -2.6844 -2.6568 -2.6521 -2.6323 -2.4906 -2.1192 -1.8955 -1.5299 -1.5241 -1.3963 -1.3927 -1.3785 -1.3053 -1.1806 -1.1271 -0.7052 -0.6413 -0.5489 -0.5388 -0.5039 -0.4801 -0.2177 -0.2152 -0.0070 0.1789 0.2615 0.2784 0.2957 0.8003 0.8827 0.9963 1.0547 1.0656 1.3456 1.4041 1.4649 1.6596 1.6814 1.6983 1.7392 1.7531 1.8419 1.9801 2.2635 2.2854 2.3221 2.3723 2.4767 2.6029 2.6094 2.6282 2.7480 2.7891 2.7971 3.1357 3.1599 3.2159 3.3368 3.4530 3.5029 3.5647 3.6038 3.6508 3.6626 3.7509 3.8855 3.9167 3.9373 3.9610 3.9867 4.0662 4.0917 4.1712 4.2677 4.3147 4.3999 4.4367 4.4635 4.4970 4.5056 4.6005 4.7419 4.7515 4.9331 5.0051 5.0408 5.1814 5.3196 -23.8656 -21.5150 -19.5479 -15.4720 -13.8604 -11.8103 -10.7310 -9.9574 -9.4733 -9.4728 -9.4220 -9.3769 -9.3765 -9.3242 -9.3074 -9.2994 -9.2973 -9.2600 -9.2591 -9.2473 -9.2457 -9.2232 -9.2218 -9.2206 -9.2054 -9.2045 -9.1967 -9.1801 -9.1670 -9.1666 -9.1609 -9.1604 -9.1476 -9.1451 -9.1267 -9.1200 -9.1055 -9.0939 -9.0919 -9.0864 -9.0840 -9.0820 -9.0752 -9.0739 -9.0684 -9.0557 -9.0547 -9.0533 -9.0503 -9.0482 -9.0382 -9.0324 -9.0298 -9.0267 -9.0258 -9.0204 -9.0150 -9.0068 -9.0062 -9.0000 -8.9802 -8.9653 -8.9633 -8.9578 -8.9489 -8.9243 -8.9204 -8.9152 -8.9139 -8.9133 -8.9092 -8.9011 -8.8987 -8.8954 -8.8941 -8.8847 -8.8819 -8.8808 -8.8784 -8.8760 -8.8743 -8.8702 -8.8565 -8.8270 -8.8211 -8.8153 -8.8124 -8.8106 -8.8074 -8.7925 -8.7891 -8.7761 -8.7748 -8.7727 -8.7582 -8.7552 -8.7516 -8.7482 -8.7470 -8.7415 -8.7404 -8.7287 -8.7273 -8.7204 -8.7188 -8.7165 -8.7109 -8.7007 -8.6808 -8.6538 -8.6527 -8.6481 -8.6415 -8.6387 -8.6357 -8.6289 -8.6134 -8.6129 -8.6101 -8.5960 -8.5939 -8.5910 -8.5868 -8.5825 -8.5719 -8.5612 -8.5587 -8.5502 -8.5474 -8.5442 -8.5389 -8.5356 -8.5309 -8.5223 -8.5212 -8.5150 -8.5128 -8.5113 -8.5041 -8.4863 -8.4779 -8.4751 -8.4720 -8.4686 -8.4667 -8.4649 -8.4609 -8.4589 -8.4508 -8.4502 -8.4421 -8.4376 -8.4355 -8.4347 -8.4305 -8.4284 -8.4239 -8.4230 -8.4174 -8.4135 -8.4109 -8.4073 -8.4018 -8.3993 -8.3957 -8.3952 -8.3930 -8.3878 -8.3844 -8.3811 -8.3780 -8.3695 -8.3640 -8.3603 -8.3555 -8.3459 -8.3248 -8.3225 -8.3186 -8.3181 -8.3159 -8.2955 -8.2903 -8.2871 -8.2799 -8.2774 -8.2757 -8.2742 -8.2687 -8.2645 -8.2510 -8.2500 -8.2461 -8.2451 -8.2431 -8.2415 -8.2289 -8.2276 -8.2271 -8.2196 -8.2192 -8.2158 -8.2139 -8.2115 -8.2093 -8.2074 -8.2057 -8.2049 -8.2018 -8.1944 -8.1913 -8.1883 -8.1868 -8.1721 -8.1646 -8.1632 -8.1616 -8.1600 -8.1589 -8.1571 -8.1560 -8.1497 -8.1305 -8.1281 -8.1211 -8.1203 -8.1188 -8.1168 -8.1044 -8.0927 -8.0636 -8.0581 -8.0479 -8.0445 -8.0434 -8.0315 -8.0308 -8.0281 -8.0090 -8.0085 -8.0038 -8.0034 -8.0013 -7.9775 -7.9092 -7.8862 -7.8824 -7.8809 -7.8574 -7.8573 -7.7274 -7.4089 -7.1511 -7.0365 -6.8340 -6.3526 -6.3301 -6.2914 -6.2642 -6.1582 -5.8378 -5.7240 -5.5186 -5.4753 -5.4675 -4.9949 -4.8850 -4.8401 -4.8362 -4.7473 -4.2199 -4.2162 -4.0706 -4.0465 -4.0361 -3.7908 -3.4546 -3.4172 -3.3988 -3.2818 -3.2031 -2.8730 -2.8466 -2.7746 -2.6802 -2.6571 -2.6528 -2.6390 -2.5078 -2.1146 -1.8951 -1.5314 -1.5257 -1.4025 -1.3924 -1.3771 -1.3033 -1.1791 -1.1271 -0.7033 -0.6404 -0.5490 -0.5376 -0.5014 -0.4816 -0.2201 -0.2137 -0.0069 0.1789 0.2586 0.2806 0.2935 0.7993 0.8834 0.9956 1.0566 1.0640 1.3484 1.4031 1.4635 1.6512 1.6904 1.6973 1.7390 1.7481 1.8420 1.9788 2.2592 2.3007 2.3159 2.3782 2.4769 2.6050 2.6073 2.6280 2.7462 2.7727 2.7965 3.1408 3.1548 3.2175 3.2782 3.4468 3.4878 3.5788 3.6123 3.6544 3.6734 3.8633 3.8814 3.9245 3.9396 3.9524 3.9924 4.0548 4.0821 4.1771 4.2650 4.3069 4.4046 4.4337 4.4719 4.4952 4.5190 4.5992 4.7638 4.7898 4.8934 5.0363 5.0767 5.1701 5.3011 -23.8656 -21.5150 -19.5479 -15.4718 -13.8608 -11.8103 -10.7310 -9.9564 -9.4738 -9.4724 -9.4220 -9.3771 -9.3764 -9.3241 -9.3068 -9.2998 -9.2972 -9.2615 -9.2578 -9.2482 -9.2446 -9.2234 -9.2217 -9.2209 -9.2054 -9.2047 -9.1964 -9.1800 -9.1677 -9.1656 -9.1610 -9.1597 -9.1480 -9.1452 -9.1270 -9.1196 -9.1057 -9.0932 -9.0902 -9.0879 -9.0841 -9.0810 -9.0757 -9.0736 -9.0694 -9.0559 -9.0548 -9.0537 -9.0502 -9.0497 -9.0375 -9.0330 -9.0289 -9.0271 -9.0242 -9.0203 -9.0145 -9.0076 -9.0052 -9.0008 -8.9804 -8.9671 -8.9609 -8.9577 -8.9492 -8.9254 -8.9206 -8.9153 -8.9128 -8.9122 -8.9088 -8.9024 -8.8985 -8.8949 -8.8938 -8.8847 -8.8824 -8.8811 -8.8789 -8.8760 -8.8738 -8.8711 -8.8566 -8.8264 -8.8236 -8.8163 -8.8124 -8.8087 -8.8070 -8.7925 -8.7887 -8.7761 -8.7745 -8.7732 -8.7587 -8.7573 -8.7515 -8.7477 -8.7458 -8.7415 -8.7395 -8.7319 -8.7252 -8.7204 -8.7200 -8.7167 -8.7109 -8.7013 -8.6794 -8.6540 -8.6527 -8.6475 -8.6400 -8.6382 -8.6352 -8.6274 -8.6133 -8.6120 -8.6110 -8.5980 -8.5960 -8.5929 -8.5868 -8.5795 -8.5747 -8.5614 -8.5601 -8.5524 -8.5482 -8.5417 -8.5407 -8.5377 -8.5310 -8.5227 -8.5204 -8.5138 -8.5122 -8.5101 -8.5031 -8.4795 -8.4785 -8.4744 -8.4716 -8.4711 -8.4663 -8.4637 -8.4620 -8.4562 -8.4514 -8.4480 -8.4434 -8.4391 -8.4353 -8.4331 -8.4320 -8.4285 -8.4253 -8.4210 -8.4181 -8.4135 -8.4113 -8.4076 -8.4029 -8.4004 -8.3966 -8.3943 -8.3914 -8.3886 -8.3859 -8.3815 -8.3774 -8.3692 -8.3629 -8.3577 -8.3525 -8.3452 -8.3249 -8.3222 -8.3190 -8.3186 -8.3158 -8.2953 -8.2896 -8.2883 -8.2800 -8.2779 -8.2751 -8.2744 -8.2689 -8.2661 -8.2521 -8.2498 -8.2487 -8.2460 -8.2429 -8.2368 -8.2292 -8.2278 -8.2273 -8.2199 -8.2189 -8.2168 -8.2130 -8.2102 -8.2092 -8.2079 -8.2059 -8.2047 -8.2026 -8.1946 -8.1911 -8.1883 -8.1862 -8.1708 -8.1650 -8.1631 -8.1614 -8.1601 -8.1586 -8.1568 -8.1562 -8.1506 -8.1301 -8.1281 -8.1213 -8.1207 -8.1183 -8.1163 -8.1056 -8.0936 -8.0639 -8.0581 -8.0479 -8.0450 -8.0429 -8.0310 -8.0307 -8.0289 -8.0089 -8.0085 -8.0042 -8.0032 -8.0021 -7.9776 -7.9087 -7.8862 -7.8833 -7.8803 -7.8578 -7.8569 -7.7297 -7.4127 -7.1558 -7.0332 -6.8307 -6.3425 -6.3332 -6.3010 -6.2650 -6.1501 -5.8406 -5.7153 -5.5195 -5.4798 -5.4721 -4.9886 -4.8854 -4.8441 -4.8322 -4.7476 -4.2400 -4.2122 -4.0709 -4.0461 -4.0350 -3.7851 -3.4249 -3.4194 -3.3929 -3.2855 -3.2304 -2.8793 -2.8568 -2.7706 -2.6840 -2.6515 -2.6446 -2.6397 -2.4989 -2.1187 -1.8953 -1.5326 -1.5216 -1.4036 -1.3884 -1.3790 -1.3033 -1.1789 -1.1261 -0.7044 -0.6421 -0.5505 -0.5397 -0.5029 -0.4817 -0.2234 -0.2086 -0.0050 0.1768 0.2582 0.2811 0.2958 0.8031 0.8737 1.0019 1.0569 1.0619 1.3492 1.3970 1.4680 1.6592 1.6814 1.6998 1.7356 1.7512 1.8425 1.9774 2.2604 2.2737 2.3409 2.3736 2.4790 2.5994 2.6129 2.6307 2.7460 2.7718 2.8025 3.1415 3.1652 3.2148 3.3178 3.4474 3.5019 3.5295 3.6018 3.6540 3.6629 3.8128 3.9157 3.9219 3.9498 3.9740 3.9988 4.0525 4.0786 4.1752 4.2295 4.3055 4.4124 4.4345 4.4726 4.4993 4.5291 4.6082 4.7811 4.8151 4.9161 4.9884 5.0501 5.1745 5.2302 -23.8656 -21.5151 -19.5479 -15.4718 -13.8608 -11.8103 -10.7310 -9.9564 -9.4086 -9.4079 -9.4077 -9.3114 -9.3112 -9.3111 -9.2654 -9.2640 -9.2627 -9.2609 -9.2593 -9.2582 -9.2304 -9.2287 -9.2233 -9.1804 -9.1790 -9.1786 -9.1763 -9.1744 -9.1733 -9.1698 -9.1675 -9.1665 -9.1548 -9.1547 -9.1545 -9.1414 -9.1405 -9.1362 -9.1314 -9.1287 -9.1267 -9.1257 -9.1242 -9.1219 -9.0616 -9.0611 -9.0598 -9.0587 -9.0571 -9.0564 -9.0498 -9.0450 -9.0445 -9.0099 -9.0094 -9.0085 -9.0071 -9.0053 -9.0045 -8.9998 -8.9993 -8.9964 -8.9875 -8.9855 -8.9829 -8.9821 -8.9814 -8.9811 -8.9805 -8.9803 -8.9790 -8.9748 -8.9728 -8.9708 -8.9505 -8.9414 -8.9395 -8.8860 -8.8819 -8.8802 -8.8749 -8.8734 -8.8717 -8.8686 -8.8611 -8.8584 -8.8023 -8.7990 -8.7966 -8.7703 -8.7688 -8.7674 -8.7658 -8.7654 -8.7629 -8.7560 -8.7521 -8.7511 -8.7228 -8.7211 -8.7207 -8.7038 -8.7028 -8.6998 -8.6807 -8.6800 -8.6756 -8.6597 -8.6575 -8.6550 -8.6493 -8.6438 -8.6435 -8.6415 -8.6388 -8.6374 -8.5908 -8.5900 -8.5894 -8.5868 -8.5837 -8.5827 -8.5620 -8.5599 -8.5556 -8.5463 -8.5422 -8.5396 -8.5345 -8.5300 -8.5277 -8.5137 -8.5083 -8.5076 -8.4840 -8.4826 -8.4820 -8.4813 -8.4804 -8.4797 -8.4725 -8.4720 -8.4695 -8.4688 -8.4670 -8.4656 -8.4369 -8.4125 -8.4109 -8.4085 -8.3984 -8.3973 -8.3951 -8.3944 -8.3935 -8.3925 -8.3900 -8.3887 -8.3878 -8.3776 -8.3732 -8.3618 -8.3571 -8.3557 -8.3515 -8.3501 -8.3481 -8.3436 -8.3426 -8.3387 -8.3379 -8.3372 -8.3369 -8.3352 -8.3305 -8.3298 -8.3201 -8.3160 -8.3127 -8.3084 -8.3074 -8.3056 -8.3013 -8.2927 -8.2921 -8.2914 -8.2904 -8.2896 -8.2882 -8.2868 -8.2864 -8.2855 -8.2785 -8.2760 -8.2713 -8.2638 -8.2634 -8.2620 -8.2612 -8.2604 -8.2579 -8.2484 -8.2442 -8.2429 -8.2102 -8.2089 -8.2077 -8.2070 -8.2048 -8.2038 -8.1914 -8.1909 -8.1897 -8.1796 -8.1785 -8.1782 -8.1660 -8.1641 -8.1622 -8.1557 -8.1556 -8.1551 -8.1390 -8.1384 -8.1378 -8.1171 -8.0892 -8.0885 -8.0866 -8.0861 -8.0857 -8.0850 -8.0357 -8.0337 -8.0317 -8.0115 -8.0115 -8.0114 -7.9925 -7.9881 -7.9861 -7.9845 -7.9818 -7.9802 -7.9653 -7.9646 -7.9643 -7.9639 -7.9637 -7.9630 -7.4348 -7.2908 -7.2817 -7.2518 -7.1514 -6.4105 -6.4027 -6.3777 -6.2942 -6.2590 -5.8398 -5.7151 -5.1331 -5.1260 -5.1206 -5.1128 -5.0958 -5.0786 -4.9670 -4.7488 -4.3166 -4.3110 -4.3072 -3.5385 -3.4193 -3.4094 -3.3306 -3.1230 -3.1117 -3.0821 -2.8944 -2.8898 -2.8832 -2.8713 -2.8692 -2.8540 -2.7713 -2.5566 -2.1251 -2.1229 -2.1096 -2.1068 -2.1012 -2.0804 -1.6385 -1.6319 -1.6252 -0.9989 -0.9953 -0.9930 -0.9903 -0.9854 -0.9749 -0.7654 -0.7569 -0.7183 0.3307 0.3363 0.3488 0.3549 0.3594 0.3676 1.3892 1.3943 1.3970 1.4000 1.4072 1.4174 1.4198 1.4275 1.4446 1.4716 1.4789 1.5170 2.1270 2.1286 2.1311 2.1439 2.1485 2.1525 2.9943 3.0446 3.0578 3.0721 3.0794 3.0853 3.0999 3.1530 3.2424 3.2712 3.2858 3.3021 3.4463 3.4586 3.4607 3.5172 3.5346 3.5456 3.5536 3.5702 3.5996 3.6651 4.2258 4.2364 4.2471 4.2873 4.3445 4.3650 4.3973 4.3992 4.4083 4.4226 4.4385 4.4512 4.5602 4.6539 4.7305 4.8696 4.9471 5.0956 5.1657 5.2394</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 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 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.86557 1.51688 0.90870 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.89715 1.44920 0.98869 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.90137 1.43234 0.90531 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 2.00000 2.00000 2.00000 2.00000 2.00000 0.07761 0.04242 0.00883 0.00363 0.00182 0.00046 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="192"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="2"
                          units="nonsi2:ev.angstrom-1">0.001071 -0.001566 0.057787 -0.003369 -0.013779 0.046379 0.000391 0.008928 0.063297 0.010634 0.004384 0.040813 -0.004755 0.015883 0.079238 -0.009222 -0.009503 0.036315 -0.005473 -0.016738 0.092547 0.001974 -0.007578 0.071784 0.017474 0.000600 0.090985 -0.001048 0.010013 0.052882 0.009111 0.003569 0.048351 -0.009157 -0.004457 0.052915 -0.001173 -0.005115 -0.059630 -0.013384 -0.009321 -0.058009 0.002173 0.021319 -0.061615 0.005660 -0.005617 -0.058791 0.006063 -0.005516 -0.044918 0.004795 -0.020322 -0.055747 0.013659 0.004730 -0.070955 -0.001517 -0.004244 -0.093453 -0.009205 0.000280 -0.071110 -0.022440 0.005685 -0.064411 0.011525 0.007392 -0.066498 0.015794 -0.002123 -0.068895 -0.000336 -0.001757 0.000185 0.000468 0.000399 0.005310 0.002173 -0.000481 -0.002115 -0.000135 0.002784 -0.001152 0.002683 -0.000361 0.000654 -0.000188 0.000464 0.002466 0.001068 0.000312 0.000322 -0.000678 0.000412 0.009352 0.000643 -0.000363 0.001286 0.001442 0.000601 -0.001490 0.001995 -0.001179 -0.000099 -0.000016 -0.000284 -0.002276 -0.001348 0.003263 -0.000790 -0.001796 -0.000903 0.006959 0.004358 -0.002857 0.001118 -0.002155 0.005336 0.003436 0.001487 0.002052 -0.003032 -0.003581 -0.000855 0.003892 -0.002506 0.002330 0.000137 -0.002423 -0.002246 -0.005457 0.002988 -0.002039 -0.004075 -0.000398 0.001596 -0.005978 -0.002704 -0.001427 -0.000229 0.000512 -0.000264 -0.002183 0.001541 -0.009187 -0.006323 0.001566 0.002564 0.005147 0.001157 -0.007057 0.001081 -0.010277 0.008824 0.001744 0.003606 0.004911 -0.001325 -0.009598 0.013427 -0.001142 0.001066 -0.004515 0.010863 0.001933 -0.000973 -0.001334 -0.005079 0.002610 -0.007257 -0.000919 0.001206 -0.009075 -0.010986 -0.003688 -0.020833 0.019890 -0.009335 -0.004868 -0.002489 -0.006787 0.000370 0.004946 0.014751 0.030982 -0.005261 0.009260 0.020112 -0.012228 0.002551 0.016353 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 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">-128.29584832</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-128.27047399</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-128.28316115</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.2932</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5775981E-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="0.87644458"
                        xFract="0.00064927"
                        y3="1.50623923"
                        yFract="0.16565306"
                        z3="5.75714709"
                        zFract="0.28785735"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.75032669"
                        xFract="0.33374608"
                        y3="9.08668173"
                        yFract="0.99933438"
                        z3="5.75988935"
                        zFract="0.28799447"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.50503864"
                        xFract="0.16704365"
                        y3="3.03313802"
                        yFract="0.33357822"
                        z3="5.72803854"
                        zFract="0.28640193"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.1305045"
                        xFract="0.5005743"
                        y3="1.51516725"
                        yFract="0.16663495"
                        z3="5.72434316"
                        zFract="0.28621716"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.00421918"
                        xFract="0.83409846"
                        y3="9.08754826"
                        yFract="0.99942968"
                        z3="5.77052406"
                        zFract="0.2885262"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.75206478"
                        xFract="0.66723336"
                        y3="3.02506988"
                        yFract="0.3326909"
                        z3="5.75005766"
                        zFract="0.28750288"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="3.51150044"
                        xFract="0.00125038"
                        y3="6.05935842"
                        yFract="0.66639565"
                        z3="5.77746074"
                        zFract="0.28887304"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.1235666"
                        xFract="0.33290357"
                        y3="4.55232128"
                        yFract="0.50065484"
                        z3="5.76993316"
                        zFract="0.28849666"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12245941"
                        xFract="0.16689725"
                        y3="7.56930625"
                        yFract="0.83245658"
                        z3="5.77536432"
                        zFract="0.28876822"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.74666235"
                        xFract="0.49973849"
                        y3="6.06168519"
                        yFract="0.66665155"
                        z3="5.71221574"
                        zFract="0.28561079"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.38269069"
                        xFract="0.83440642"
                        y3="4.54132725"
                        yFract="0.49944574"
                        z3="5.72834338"
                        zFract="0.28641717"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.38307065"
                        xFract="0.6675751"
                        y3="7.57589111"
                        yFract="0.83318077"
                        z3="5.72752552"
                        zFract="0.28637628"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.25200471"
                        xFract="0.00047956"
                        y3="9.08801805"
                        yFract="0.99948135"
                        z3="8.62805189"
                        zFract="0.43140259"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62565732"
                        xFract="0.16659417"
                        y3="1.51817884"
                        yFract="0.16696616"
                        z3="8.54843094"
                        zFract="0.42742155"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.25505363"
                        xFract="0.3336853"
                        y3="3.0337965"
                        yFract="0.33365064"
                        z3="8.54776561"
                        zFract="0.42738828"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.50431665"
                        xFract="0.50060294"
                        y3="9.09031128"
                        yFract="0.99973355"
                        z3="8.54871872"
                        zFract="0.42743594"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87581273"
                        xFract="0.66708863"
                        y3="1.50998885"
                        yFract="0.16606544"
                        z3="8.55015222"
                        zFract="0.42750761"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.50128602"
                        xFract="0.83366133"
                        y3="3.02823953"
                        yFract="0.33303949"
                        z3="8.5482904"
                        zFract="0.42741452"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62808084"
                        xFract="0.00025936"
                        y3="4.5472529"
                        yFract="0.50009743"
                        z3="8.57556162"
                        zFract="0.42877808"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.25408122"
                        xFract="0.16702837"
                        y3="6.06284662"
                        yFract="0.66677928"
                        z3="8.81992289"
                        zFract="0.44099614"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87120525"
                        xFract="0.33322979"
                        y3="7.57338766"
                        yFract="0.83290544"
                        z3="8.57710435"
                        zFract="0.42885522"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.86999204"
                        xFract="0.49953209"
                        y3="4.54700122"
                        yFract="0.50006975"
                        z3="8.55010824"
                        zFract="0.42750541"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.5006651"
                        xFract="0.66664183"
                        y3="6.06449172"
                        yFract="0.6669602"
                        z3="8.4879275"
                        zFract="0.42439638"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12968379"
                        xFract="0.83410943"
                        y3="7.57260899"
                        yFract="0.83281981"
                        z3="8.6187145"
                        zFract="0.43093573"/>
                  <atom elementType="H"
                        id="a49"
                        x3="8.10407533"
                        xFract="0.58396548"
                        y3="3.4169847"
                        yFract="0.37579288"
                        z3="12.0185842"
                        zFract="0.60092921"/>
                  <atom elementType="H"
                        id="a50"
                        x3="9.12981968"
                        xFract="0.5639491"
                        y3="5.55763325"
                        yFract="0.61121696"
                        z3="13.12535675"
                        zFract="0.65626784"/>
                  <atom elementType="H"
                        id="a51"
                        x3="8.37900826"
                        xFract="0.44741253"
                        y3="6.37646184"
                        yFract="0.70127003"
                        z3="11.72356122"
                        zFract="0.58617806"/>
                  <atom elementType="H"
                        id="a52"
                        x3="9.69058916"
                        xFract="0.63739173"
                        y3="5.19332581"
                        yFract="0.57115118"
                        z3="11.45726101"
                        zFract="0.57286305"/>
                  <atom elementType="H"
                        id="a53"
                        x3="3.95791531"
                        xFract="0.14910153"
                        y3="4.14382928"
                        yFract="0.45572974"
                        z3="11.35969654"
                        zFract="0.56798483"/>
                  <atom elementType="H"
                        id="a54"
                        x3="4.14136012"
                        xFract="0.16113704"
                        y3="4.24269372"
                        yFract="0.46660264"
                        z3="13.12931327"
                        zFract="0.65646566"/>
                  <atom elementType="H"
                        id="a55"
                        x3="3.97317705"
                        xFract="0.28877007"
                        y3="1.63032559"
                        yFract="0.17929982"
                        z3="11.47503865"
                        zFract="0.57375193"/>
                  <atom elementType="H"
                        id="a56"
                        x3="2.66885657"
                        xFract="0.1277768"
                        y3="2.29891427"
                        yFract="0.25282982"
                        z3="12.48748129"
                        zFract="0.62437406"/>
                  <atom elementType="H"
                        id="a57"
                        x3="4.17007622"
                        xFract="0.3034993"
                        y3="1.70350715"
                        yFract="0.18734818"
                        z3="13.25013498"
                        zFract="0.66250675"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.48093126"
                        xFract="0.36192705"
                        y3="4.64348949"
                        yFract="0.51068133"
                        z3="12.01771596"
                        zFract="0.6008858"/>
                  <atom elementType="C"
                        id="a59"
                        x3="8.81323048"
                        xFract="0.54068353"
                        y3="5.43237997"
                        yFract="0.59744186"
                        z3="12.07586641"
                        zFract="0.60379332"/>
                  <atom elementType="C"
                        id="a60"
                        x3="4.3460807"
                        xFract="0.21507979"
                        y3="3.61630587"
                        yFract="0.39771381"
                        z3="12.24744541"
                        zFract="0.61237227"/>
                  <atom elementType="C"
                        id="a61"
                        x3="3.76042368"
                        xFract="0.23566181"
                        y3="2.22762466"
                        yFract="0.24498953"
                        z3="12.37501473"
                        zFract="0.61875074"/>
                  <atom elementType="N"
                        id="a62"
                        x3="7.81778437"
                        xFract="0.50336953"
                        y3="4.38678919"
                        yFract="0.48244996"
                        z3="11.92976058"
                        zFract="0.59648803"/>
                  <atom elementType="O"
                        id="a63"
                        x3="5.9641694"
                        xFract="0.25127241"
                        y3="5.76073801"
                        yFract="0.633554"
                        z3="11.99462321"
                        zFract="0.59973116"/>
                  <atom elementType="O"
                        id="a64"
                        x3="5.78483132"
                        xFract="0.36028389"
                        y3="3.46769052"
                        yFract="0.3813694"
                        z3="12.10771019"
                        zFract="0.60538551"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" 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 a45" 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="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 a47" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" 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 a62" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a64" order="S"/>
                  <bond atomRefs2="a58 a63" order="S"/>
                  <bond atomRefs2="a59 a62" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
               </bondArray>
               <formula concise="C4H9Cd48NO2">
                  <atomArray count="4 9 48 1 2" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5489.7763</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
