<?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">2022-04-05T19:43:18.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.499384869</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.499384869541027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cd"
                        id="a1"
                        x3="0.87494876"
                        xFract="0.0000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a2"
                        x3="3.49979492"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a3"
                        x3="3.49979497"
                        xFract="0.16666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a4"
                        x3="6.12464119"
                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a5"
                        x3="8.74948736"
                        xFract="0.83333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a6"
                        x3="8.74948741"
                        xFract="0.66666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a7"
                        x3="3.49979497"
                        xFract="0.0000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a8"
                        x3="6.12464114"
                        xFract="0.33333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a9"
                        x3="6.12464119"
                        xFract="0.16666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a10"
                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a11"
                        x3="11.37433357"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a12"
                        x3="11.37433363"
                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a14"
                        x3="2.62484627"
                        xFract="0.16666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a15"
                        x3="5.24969238"
                        xFract="0.33333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a16"
                        x3="5.24969243"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a17"
                        x3="7.8745387"
                        xFract="0.66666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a19"
                        x3="2.62484622"
                        xFract="0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a21"
                        x3="7.8745386"
                        xFract="0.33333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.49938492"
                        xFract="0.66666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.12423103"
                        xFract="0.83333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="11.37528351"
                        xFract="0.99981556"
                        y3="1.52045507"
                        yFract="0.16721649"
                        z3="5.768546"
                        zFract="0.2884273"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.49634866"
                        xFract="0.33275482"
                        y3="0.00455137"
                        yFract="0.00050055"
                        z3="5.723967"
                        zFract="0.28619835"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49964478"
                        xFract="0.16655823"
                        y3="3.0326232"
                        yFract="0.3335216"
                        z3="5.7979108"
                        zFract="0.28989554"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.11386226"
                        xFract="0.49869507"
                        y3="1.52051681"
                        yFract="0.16722328"
                        z3="5.7655172"
                        zFract="0.28827586"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="13.99472548"
                        xFract="0.83319548"
                        y3="9.08752579"
                        yFract="0.99942721"
                        z3="5.7142196"
                        zFract="0.28571098"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.75329884"
                        xFract="0.6670067"
                        y3="3.0313293"
                        yFract="0.3333793"
                        z3="5.7036736"
                        zFract="0.28518368"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="13.99371948"
                        xFract="0.99986314"
                        y3="6.05485395"
                        yFract="0.66590026"
                        z3="5.7553424"
                        zFract="0.28776712"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.11227187"
                        xFract="0.3325924"
                        y3="4.53841696"
                        yFract="0.49912567"
                        z3="5.7835738"
                        zFract="0.28917869"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12615463"
                        xFract="0.1672253"
                        y3="7.56974072"
                        yFract="0.83250436"
                        z3="5.7516338"
                        zFract="0.28758169"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.74574916"
                        xFract="0.49931712"
                        y3="6.06776636"
                        yFract="0.66732034"
                        z3="5.7387098"
                        zFract="0.28693549"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37892343"
                        xFract="0.83399973"
                        y3="4.54219808"
                        yFract="0.49954151"
                        z3="5.7702504"
                        zFract="0.28851252"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37621874"
                        xFract="0.66637007"
                        y3="7.58593724"
                        yFract="0.83428562"
                        z3="5.751266"
                        zFract="0.2875633"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="15.74692719"
                        xFract="0.99995073"
                        y3="9.08990591"
                        yFract="0.99968897"
                        z3="8.5777312"
                        zFract="0.42888656"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62430429"
                        xFract="0.16666847"
                        y3="1.51448423"
                        yFract="0.16655983"
                        z3="8.5799582"
                        zFract="0.42899791"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.23732489"
                        xFract="0.33405832"
                        y3="2.99630591"
                        yFract="0.3295275"
                        z3="8.8458192"
                        zFract="0.44229096"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.49493497"
                        xFract="0.49969853"
                        y3="9.09050894"
                        yFract="0.99975529"
                        z3="8.55044"
                        zFract="0.427522"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87418566"
                        xFract="0.66663805"
                        y3="1.51536468"
                        yFract="0.16665666"
                        z3="8.457763"
                        zFract="0.42288815"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49669461"
                        xFract="0.83301565"
                        y3="3.0320289"
                        yFract="0.33345624"
                        z3="8.5801834"
                        zFract="0.42900917"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.63246499"
                        xFract="0.00082035"
                        y3="4.54464466"
                        yFract="0.49981058"
                        z3="8.623639"
                        zFract="0.43118195"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.25443548"
                        xFract="0.16786524"
                        y3="6.04824126"
                        yFract="0.66517301"
                        z3="8.5346928"
                        zFract="0.42673464"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87555279"
                        xFract="0.33342969"
                        y3="7.57728259"
                        yFract="0.8333338"
                        z3="8.5743984"
                        zFract="0.42871992"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.87105207"
                        xFract="0.50003869"
                        y3="4.53962448"
                        yFract="0.49925847"
                        z3="8.4859038"
                        zFract="0.42429519"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49912186"
                        xFract="0.66664821"
                        y3="6.06170278"
                        yFract="0.66665348"
                        z3="8.5808252"
                        zFract="0.42904126"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12491076"
                        xFract="0.83339047"
                        y3="7.57741653"
                        yFract="0.83334853"
                        z3="8.5800898"
                        zFract="0.42900449"/>
                  <atom elementType="H"
                        id="a49"
                        x3="4.57905452"
                        xFract="0.17033621"
                        y3="4.83351137"
                        yFract="0.53157954"
                        z3="11.194457"
                        zFract="0.55972285"/>
                  <atom elementType="H"
                        id="a50"
                        x3="6.77566542"
                        xFract="0.55256664"
                        y3="1.68711379"
                        yFract="0.18554527"
                        z3="11.5873132"
                        zFract="0.57936566"/>
                  <atom elementType="H"
                        id="a51"
                        x3="7.44815076"
                        xFract="0.58598748"
                        y3="2.24411894"
                        yFract="0.24680354"
                        z3="13.894907"
                        zFract="0.69474535"/>
                  <atom elementType="H"
                        id="a52"
                        x3="6.42156794"
                        xFract="0.40792613"
                        y3="3.70415434"
                        yFract="0.4073752"
                        z3="13.8981778"
                        zFract="0.69490889"/>
                  <atom elementType="H"
                        id="a53"
                        x3="8.0117297"
                        xFract="0.497064"
                        y3="4.83738142"
                        yFract="0.53200516"
                        z3="12.3427408"
                        zFract="0.61713704"/>
                  <atom elementType="H"
                        id="a54"
                        x3="9.03443867"
                        xFract="0.67368075"
                        y3="3.39690704"
                        yFract="0.37358478"
                        z3="12.2971074"
                        zFract="0.61485537"/>
                  <atom elementType="H"
                        id="a55"
                        x3="8.42571027"
                        xFract="0.52449685"
                        y3="5.05553757"
                        yFract="0.55599752"
                        z3="14.8339996"
                        zFract="0.74169998"/>
                  <atom elementType="H"
                        id="a56"
                        x3="9.95679493"
                        xFract="0.66896105"
                        y3="5.0803049"
                        yFract="0.55872138"
                        z3="13.9218974"
                        zFract="0.69609487"/>
                  <atom elementType="H"
                        id="a57"
                        x3="9.45749904"
                        xFract="0.70247855"
                        y3="3.60596763"
                        yFract="0.39657683"
                        z3="14.7842594"
                        zFract="0.73921297"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.46291405"
                        xFract="0.47088831"
                        y3="2.63077118"
                        yFract="0.28932675"
                        z3="12.0478576"
                        zFract="0.60239288"/>
                  <atom elementType="C"
                        id="a59"
                        x3="7.12512789"
                        xFract="0.50760347"
                        y3="3.11007684"
                        yFract="0.34203979"
                        z3="13.2967712"
                        zFract="0.66483856"/>
                  <atom elementType="C"
                        id="a60"
                        x3="8.3534252"
                        xFract="0.57685351"
                        y3="3.9782058"
                        yFract="0.43751481"
                        z3="12.9411536"
                        zFract="0.64705768"/>
                  <atom elementType="C"
                        id="a61"
                        x3="9.09065164"
                        xFract="0.62068638"
                        y3="4.45799818"
                        yFract="0.49028138"
                        z3="14.190761"
                        zFract="0.70953805"/>
                  <atom elementType="N"
                        id="a62"
                        x3="5.59182487"
                        xFract="0.35347819"
                        y3="3.25715845"
                        yFract="0.35821552"
                        z3="11.3422958"
                        zFract="0.56711479"/>
                  <atom elementType="O"
                        id="a63"
                        x3="5.18346216"
                        xFract="0.24717631"
                        y3="4.48300293"
                        yFract="0.49303135"
                        z3="11.889318"
                        zFract="0.5944659"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 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 a35" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a63" order="S"/>
                  <bond atomRefs2="a50 a58" 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 a59" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
               </bondArray>
               <formula concise="C4H9Cd48NO">
                  <atomArray count="4 9 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5473.776900000001</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">612.0000</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 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1860">-23.9356 -18.4222 -16.2666 -14.0840 -11.6032 -11.1015 -9.4786 -9.4781 -9.4771 -9.3814 -9.3803 -9.3787 -9.3287 -9.2731 -9.2528 -9.2483 -9.2452 -9.2218 -9.2204 -9.2193 -9.2135 -9.1613 -9.1603 -9.1562 -9.0820 -9.0646 -9.0621 -9.0583 -9.0554 -9.0461 -9.0456 -9.0427 -9.0400 -9.0379 -9.0336 -9.0191 -9.0165 -9.0100 -9.0090 -9.0080 -9.0024 -8.9873 -8.9866 -8.9529 -8.9497 -8.9479 -8.9468 -8.9350 -8.9333 -8.9057 -8.9006 -8.8951 -8.8890 -8.8886 -8.8842 -8.8837 -8.8831 -8.8797 -8.8782 -8.8597 -8.8560 -8.8547 -8.8361 -8.8351 -8.8339 -8.8327 -8.8284 -8.8267 -8.8255 -8.8189 -8.7974 -8.7904 -8.7880 -8.7866 -8.7861 -8.7837 -8.7812 -8.7743 -8.7727 -8.7715 -8.7664 -8.7620 -8.7561 -8.7542 -8.7530 -8.7501 -8.7490 -8.7488 -8.7454 -8.7440 -8.7422 -8.7414 -8.7399 -8.7397 -8.7380 -8.7377 -8.7366 -8.7189 -8.7172 -8.7110 -8.6906 -8.6904 -8.6665 -8.6604 -8.6581 -8.6561 -8.6543 -8.6529 -8.6465 -8.6452 -8.6218 -8.6218 -8.6119 -8.6118 -8.6087 -8.6073 -8.6022 -8.6012 -8.5977 -8.5962 -8.5937 -8.5907 -8.5843 -8.5821 -8.5804 -8.5723 -8.5710 -8.5502 -8.5454 -8.5450 -8.5443 -8.5437 -8.5427 -8.5419 -8.5409 -8.5366 -8.5310 -8.5274 -8.5234 -8.4971 -8.4964 -8.4635 -8.4615 -8.4461 -8.4450 -8.4429 -8.4423 -8.4259 -8.4259 -8.4197 -8.4129 -8.4126 -8.4098 -8.4030 -8.4007 -8.3707 -8.3695 -8.3679 -8.3635 -8.3615 -8.3607 -8.3593 -8.3586 -8.3542 -8.3509 -8.3488 -8.3474 -8.3404 -8.3392 -8.3053 -8.3045 -8.2926 -8.2917 -8.2858 -8.2849 -8.2805 -8.2788 -8.2070 -8.2023 -8.1985 -8.1979 -8.1972 -8.1958 -8.1948 -8.1924 -8.1910 -8.1871 -8.1859 -8.1815 -8.1799 -8.1771 -8.1761 -8.1754 -8.1737 -8.1713 -8.1686 -8.1675 -8.1637 -8.1503 -8.1496 -8.1492 -8.1387 -8.1380 -8.1367 -8.1344 -8.1331 -8.1327 -8.1321 -8.1305 -8.1299 -8.1283 -8.1264 -8.1192 -8.1172 -8.0958 -8.0932 -8.0915 -8.0894 -8.0859 -8.0826 -8.0815 -8.0784 -8.0740 -8.0734 -8.0690 -8.0552 -8.0550 -8.0482 -8.0479 -8.0477 -8.0475 -8.0468 -8.0467 -8.0399 -8.0390 -8.0374 -7.9060 -7.9042 -7.9034 -7.9027 -7.8652 -7.8637 -7.8576 -7.7448 -7.7437 -7.7363 -7.7051 -7.7001 -7.6991 -7.6211 -7.2186 -7.1334 -7.0087 -6.4121 -5.8813 -5.7718 -5.7642 -5.7545 -5.7468 -5.7431 -5.7073 -5.6789 -5.4923 -5.0475 -4.9389 -4.9378 -4.9355 -4.9306 -4.9237 -4.9049 -4.6327 -4.0554 -3.8503 -3.7088 -3.7076 -3.7046 -3.6975 -3.6833 -3.2985 -2.9516 -2.2057 -2.1880 -2.1826 -2.1629 -2.1538 -2.0565 -1.6436 -1.6419 -1.6350 -1.5243 -1.3627 -1.3583 -1.3397 -0.9219 -0.9108 -0.8978 -0.7731 -0.7698 -0.7592 0.5276 0.5457 0.5529 0.5553 0.6064 0.6477 0.6818 0.7281 0.7657 0.7763 0.7961 0.8080 0.8146 0.8222 0.8240 0.8431 0.9943 1.0406 1.0468 1.2998 1.3041 1.3198 1.3493 1.6226 1.6296 1.6526 1.7966 1.8268 1.8817 2.1446 2.1544 2.2062 2.3514 2.4379 2.4441 2.4599 2.4954 2.6762 2.7274 2.7447 2.7689 2.8027 2.8867 2.9023 2.9845 3.6333 3.8112 3.8402 3.8937 3.9120 3.9293 3.9551 3.9732 3.9894 3.9975 4.0500 4.0625 4.1158 4.1225 4.2230 4.3202 4.6201 5.1005 5.1309 5.2584 5.4533 5.4704 5.5520 5.6338 5.8261 6.7830 7.0815 7.3574 -23.9356 -18.4222 -16.2667 -14.0840 -11.6032 -11.1015 -9.4143 -9.4135 -9.3628 -9.3159 -9.3146 -9.2727 -9.2616 -9.2473 -9.2402 -9.2373 -9.2013 -9.1995 -9.1891 -9.1857 -9.1635 -9.1578 -9.1564 -9.1444 -9.1430 -9.1363 -9.1215 -9.1085 -9.1067 -9.1001 -9.0967 -9.0873 -9.0836 -9.0690 -9.0624 -9.0481 -9.0359 -9.0329 -9.0297 -9.0245 -9.0226 -9.0162 -9.0137 -9.0080 -8.9964 -8.9928 -8.9907 -8.9896 -8.9865 -8.9775 -8.9737 -8.9701 -8.9664 -8.9657 -8.9607 -8.9506 -8.9441 -8.9429 -8.9375 -8.9209 -8.9071 -8.9013 -8.8950 -8.8910 -8.8693 -8.8647 -8.8589 -8.8576 -8.8544 -8.8485 -8.8424 -8.8397 -8.8366 -8.8319 -8.8240 -8.8228 -8.8208 -8.8176 -8.8173 -8.8133 -8.8075 -8.7912 -8.7804 -8.7679 -8.7635 -8.7581 -8.7552 -8.7503 -8.7476 -8.7265 -8.7252 -8.7145 -8.7133 -8.7115 -8.7005 -8.6979 -8.6951 -8.6893 -8.6850 -8.6789 -8.6766 -8.6709 -8.6665 -8.6569 -8.6538 -8.6533 -8.6495 -8.6424 -8.6209 -8.5978 -8.5907 -8.5898 -8.5818 -8.5791 -8.5758 -8.5691 -8.5552 -8.5517 -8.5466 -8.5404 -8.5385 -8.5314 -8.5260 -8.5180 -8.5114 -8.5009 -8.5003 -8.4924 -8.4846 -8.4829 -8.4790 -8.4775 -8.4683 -8.4610 -8.4596 -8.4545 -8.4509 -8.4488 -8.4381 -8.4264 -8.4166 -8.4147 -8.4123 -8.4106 -8.4054 -8.4044 -8.4014 -8.3993 -8.3913 -8.3872 -8.3821 -8.3786 -8.3764 -8.3721 -8.3709 -8.3669 -8.3616 -8.3611 -8.3560 -8.3528 -8.3482 -8.3441 -8.3396 -8.3378 -8.3349 -8.3325 -8.3290 -8.3224 -8.3179 -8.3160 -8.3115 -8.3065 -8.2999 -8.2955 -8.2863 -8.2697 -8.2622 -8.2601 -8.2583 -8.2556 -8.2356 -8.2350 -8.2274 -8.2225 -8.2192 -8.2154 -8.2142 -8.2108 -8.2068 -8.1956 -8.1929 -8.1883 -8.1874 -8.1846 -8.1799 -8.1731 -8.1681 -8.1660 -8.1565 -8.1550 -8.1541 -8.1523 -8.1507 -8.1480 -8.1462 -8.1457 -8.1428 -8.1388 -8.1355 -8.1324 -8.1288 -8.1240 -8.1119 -8.1060 -8.1013 -8.0980 -8.0967 -8.0958 -8.0942 -8.0929 -8.0903 -8.0657 -8.0627 -8.0606 -8.0582 -8.0540 -8.0488 -8.0334 -8.0086 -8.0003 -7.9866 -7.9856 -7.9832 -7.9766 -7.9735 -7.9673 -7.9490 -7.9465 -7.9431 -7.9381 -7.9371 -7.9129 -7.8552 -7.8302 -7.8271 -7.8198 -7.7914 -7.7893 -7.6915 -7.6067 -7.2190 -7.1349 -6.9777 -6.7836 -6.4152 -6.2748 -6.2594 -6.1060 -5.8645 -5.5496 -5.4459 -5.4243 -5.3855 -5.0398 -4.8186 -4.7876 -4.7741 -4.6348 -4.2193 -4.1570 -4.0225 -4.0068 -3.9921 -3.8195 -3.5566 -3.3643 -3.3447 -3.2261 -3.1238 -2.9564 -2.7892 -2.7559 -2.6071 -2.5940 -2.5867 -2.5127 -2.0472 -1.8355 -1.4686 -1.4589 -1.3385 -1.3320 -1.3116 -1.2372 -1.1197 -1.0673 -0.6436 -0.5893 -0.4891 -0.4788 -0.4427 -0.4138 -0.1572 -0.1534 0.0580 0.2328 0.3050 0.3323 0.3672 0.8634 0.9477 1.0246 1.1134 1.1251 1.4001 1.4679 1.5159 1.6611 1.7217 1.7617 1.7912 1.7978 1.8779 1.9661 2.0386 2.2933 2.3292 2.3451 2.4491 2.5388 2.5961 2.6667 2.6858 2.7126 2.8045 2.8583 3.1592 3.1993 3.2732 3.2969 3.4836 3.5558 3.6217 3.6576 3.6965 3.7233 3.7391 3.8870 3.9801 3.9958 4.0769 4.0948 4.1438 4.2411 4.3050 4.3697 4.4434 4.4768 4.5536 4.5967 4.6684 4.8434 4.8603 4.9613 5.0831 5.1143 5.3538 5.7836 6.0539 6.7535 6.8596 7.4545 -23.9356 -18.4222 -16.2666 -14.0840 -11.6032 -11.1015 -9.4140 -9.4137 -9.3628 -9.3156 -9.3152 -9.2715 -9.2624 -9.2478 -9.2403 -9.2366 -9.2011 -9.1997 -9.1885 -9.1862 -9.1634 -9.1580 -9.1561 -9.1446 -9.1425 -9.1365 -9.1218 -9.1084 -9.1067 -9.1015 -9.0957 -9.0872 -9.0833 -9.0691 -9.0622 -9.0489 -9.0368 -9.0331 -9.0297 -9.0250 -9.0213 -9.0179 -9.0120 -9.0056 -8.9966 -8.9921 -8.9917 -8.9899 -8.9865 -8.9772 -8.9756 -8.9694 -8.9661 -8.9649 -8.9617 -8.9516 -8.9459 -8.9425 -8.9359 -8.9209 -8.9082 -8.9001 -8.8948 -8.8904 -8.8697 -8.8628 -8.8618 -8.8587 -8.8525 -8.8496 -8.8454 -8.8383 -8.8376 -8.8312 -8.8258 -8.8218 -8.8198 -8.8173 -8.8169 -8.8141 -8.8100 -8.7913 -8.7824 -8.7656 -8.7621 -8.7570 -8.7549 -8.7516 -8.7465 -8.7272 -8.7259 -8.7138 -8.7124 -8.7114 -8.7021 -8.6968 -8.6934 -8.6895 -8.6849 -8.6803 -8.6758 -8.6708 -8.6637 -8.6564 -8.6538 -8.6536 -8.6481 -8.6431 -8.6222 -8.5968 -8.5911 -8.5893 -8.5823 -8.5781 -8.5760 -8.5694 -8.5547 -8.5520 -8.5466 -8.5411 -8.5390 -8.5302 -8.5269 -8.5197 -8.5084 -8.5028 -8.4988 -8.4927 -8.4853 -8.4841 -8.4792 -8.4775 -8.4683 -8.4606 -8.4600 -8.4545 -8.4506 -8.4491 -8.4369 -8.4270 -8.4151 -8.4137 -8.4121 -8.4107 -8.4073 -8.4066 -8.4025 -8.3982 -8.3909 -8.3885 -8.3822 -8.3786 -8.3750 -8.3739 -8.3678 -8.3661 -8.3626 -8.3619 -8.3544 -8.3536 -8.3496 -8.3453 -8.3394 -8.3386 -8.3351 -8.3307 -8.3289 -8.3221 -8.3181 -8.3157 -8.3121 -8.3043 -8.2983 -8.2972 -8.2863 -8.2691 -8.2630 -8.2607 -8.2597 -8.2542 -8.2357 -8.2335 -8.2276 -8.2213 -8.2190 -8.2169 -8.2150 -8.2104 -8.2067 -8.1974 -8.1920 -8.1892 -8.1864 -8.1845 -8.1809 -8.1715 -8.1689 -8.1657 -8.1567 -8.1554 -8.1544 -8.1527 -8.1506 -8.1457 -8.1456 -8.1443 -8.1425 -8.1407 -8.1377 -8.1336 -8.1283 -8.1251 -8.1097 -8.1070 -8.1011 -8.0985 -8.0961 -8.0946 -8.0933 -8.0922 -8.0902 -8.0658 -8.0629 -8.0608 -8.0582 -8.0538 -8.0497 -8.0336 -8.0085 -8.0004 -7.9870 -7.9852 -7.9831 -7.9778 -7.9740 -7.9674 -7.9478 -7.9463 -7.9430 -7.9386 -7.9368 -7.9127 -7.8552 -7.8313 -7.8270 -7.8196 -7.7922 -7.7887 -7.6923 -7.6057 -7.2193 -7.1354 -6.9767 -6.7830 -6.4191 -6.2720 -6.2574 -6.1084 -5.8648 -5.5459 -5.4441 -5.4224 -5.3911 -5.0418 -4.8173 -4.7892 -4.7728 -4.6313 -4.2265 -4.1578 -4.0208 -4.0079 -3.9918 -3.8179 -3.5533 -3.3659 -3.3425 -3.2204 -3.1250 -2.9708 -2.7876 -2.7542 -2.6044 -2.5888 -2.5810 -2.5164 -2.0493 -1.8355 -1.4737 -1.4543 -1.3434 -1.3300 -1.3174 -1.2312 -1.1182 -1.0672 -0.6460 -0.5880 -0.4883 -0.4766 -0.4551 -0.4056 -0.1607 -0.1484 0.0577 0.2306 0.3125 0.3260 0.3719 0.8622 0.9436 1.0255 1.1128 1.1254 1.4026 1.4574 1.5243 1.6492 1.7278 1.7724 1.7882 1.8080 1.8870 1.9146 2.0426 2.2745 2.3408 2.3788 2.4518 2.5436 2.5952 2.6632 2.6922 2.7014 2.8076 2.8782 3.1474 3.2023 3.2495 3.2771 3.4697 3.5584 3.6547 3.6722 3.7036 3.7293 3.7499 3.9191 3.9754 4.0029 4.0707 4.1187 4.1507 4.2330 4.3124 4.3759 4.4615 4.4994 4.5567 4.5831 4.7081 4.7532 4.8652 4.9625 4.9842 5.1607 5.3243 5.3291 6.2167 6.5034 6.7705 7.3739 -23.9356 -18.4222 -16.2666 -14.0840 -11.6032 -11.1015 -9.4145 -9.4131 -9.3629 -9.3164 -9.3142 -9.2707 -9.2627 -9.2473 -9.2394 -9.2382 -9.2018 -9.1991 -9.1896 -9.1865 -9.1635 -9.1579 -9.1567 -9.1445 -9.1427 -9.1361 -9.1209 -9.1086 -9.1073 -9.1017 -9.0950 -9.0876 -9.0829 -9.0689 -9.0623 -9.0482 -9.0365 -9.0326 -9.0303 -9.0246 -9.0235 -9.0148 -9.0131 -9.0085 -8.9971 -8.9921 -8.9910 -8.9897 -8.9873 -8.9781 -8.9737 -8.9689 -8.9669 -8.9650 -8.9605 -8.9504 -8.9445 -8.9419 -8.9372 -8.9209 -8.9065 -8.9013 -8.8953 -8.8908 -8.8678 -8.8642 -8.8600 -8.8569 -8.8538 -8.8500 -8.8436 -8.8388 -8.8362 -8.8339 -8.8244 -8.8225 -8.8203 -8.8174 -8.8165 -8.8137 -8.8075 -8.7920 -8.7843 -8.7657 -8.7632 -8.7581 -8.7549 -8.7494 -8.7462 -8.7269 -8.7258 -8.7144 -8.7130 -8.7113 -8.7007 -8.6972 -8.6956 -8.6889 -8.6849 -8.6801 -8.6762 -8.6703 -8.6648 -8.6577 -8.6537 -8.6530 -8.6493 -8.6434 -8.6212 -8.5952 -8.5913 -8.5894 -8.5832 -8.5782 -8.5768 -8.5684 -8.5572 -8.5522 -8.5467 -8.5405 -8.5388 -8.5307 -8.5262 -8.5174 -8.5119 -8.5015 -8.5001 -8.4902 -8.4849 -8.4836 -8.4790 -8.4773 -8.4692 -8.4607 -8.4594 -8.4530 -8.4509 -8.4498 -8.4383 -8.4271 -8.4176 -8.4154 -8.4117 -8.4108 -8.4066 -8.4040 -8.4007 -8.3992 -8.3907 -8.3875 -8.3829 -8.3791 -8.3753 -8.3723 -8.3717 -8.3672 -8.3627 -8.3601 -8.3566 -8.3509 -8.3485 -8.3444 -8.3404 -8.3376 -8.3351 -8.3316 -8.3283 -8.3223 -8.3179 -8.3159 -8.3118 -8.3060 -8.2997 -8.2948 -8.2858 -8.2703 -8.2638 -8.2608 -8.2578 -8.2551 -8.2365 -8.2323 -8.2286 -8.2233 -8.2180 -8.2159 -8.2146 -8.2101 -8.2067 -8.1979 -8.1915 -8.1889 -8.1854 -8.1834 -8.1807 -8.1744 -8.1687 -8.1654 -8.1567 -8.1552 -8.1547 -8.1519 -8.1507 -8.1472 -8.1458 -8.1448 -8.1430 -8.1392 -8.1372 -8.1320 -8.1294 -8.1243 -8.1110 -8.1067 -8.1013 -8.0983 -8.0957 -8.0947 -8.0934 -8.0915 -8.0907 -8.0666 -8.0631 -8.0605 -8.0580 -8.0545 -8.0501 -8.0332 -8.0078 -8.0006 -7.9874 -7.9850 -7.9831 -7.9759 -7.9745 -7.9671 -7.9484 -7.9472 -7.9426 -7.9383 -7.9368 -7.9129 -7.8553 -7.8297 -7.8275 -7.8197 -7.7915 -7.7892 -7.6920 -7.6057 -7.2188 -7.1332 -6.9783 -6.7839 -6.4145 -6.2764 -6.2591 -6.1056 -5.8633 -5.5521 -5.4509 -5.4253 -5.3795 -5.0412 -4.8170 -4.7881 -4.7736 -4.6335 -4.2310 -4.1611 -4.0144 -4.0087 -3.9930 -3.8143 -3.5425 -3.3652 -3.3434 -3.2230 -3.1347 -2.9739 -2.7906 -2.7470 -2.6115 -2.5903 -2.5810 -2.4978 -2.0545 -1.8367 -1.4734 -1.4532 -1.3435 -1.3285 -1.3118 -1.2336 -1.1201 -1.0690 -0.6447 -0.5899 -0.4887 -0.4771 -0.4448 -0.4243 -0.1627 -0.1476 0.0563 0.2355 0.2915 0.3311 0.3872 0.8640 0.9425 1.0282 1.1126 1.1242 1.4033 1.4550 1.5201 1.6672 1.7050 1.7578 1.7914 1.8145 1.8755 1.9365 2.0471 2.2834 2.3388 2.3697 2.4554 2.5346 2.6004 2.6620 2.6740 2.7096 2.8109 2.8714 3.1048 3.2077 3.2646 3.2818 3.4832 3.5684 3.6196 3.6608 3.7063 3.7256 3.8324 3.9082 3.9724 3.9989 4.0996 4.1474 4.1751 4.2376 4.3432 4.4147 4.4718 4.5088 4.5597 4.6440 4.6636 4.9070 5.0047 5.0833 5.2379 5.4001 5.6619 5.9301 6.4381 6.5470 6.9163 7.4288 -23.9356 -18.4222 -16.2667 -14.0840 -11.6032 -11.1015 -9.3504 -9.3484 -9.3481 -9.2703 -9.2497 -9.2495 -9.2486 -9.2057 -9.2049 -9.2041 -9.2017 -9.2004 -9.1988 -9.1718 -9.1699 -9.1647 -9.1267 -9.1186 -9.1172 -9.1161 -9.1135 -9.1129 -9.1087 -9.1075 -9.1058 -9.0892 -9.0891 -9.0886 -9.0820 -9.0803 -9.0778 -9.0731 -9.0718 -9.0672 -9.0654 -9.0636 -9.0608 -9.0055 -9.0041 -9.0033 -9.0012 -8.9993 -8.9965 -8.9931 -8.9905 -8.9895 -8.9528 -8.9511 -8.9491 -8.9472 -8.9463 -8.9455 -8.9403 -8.9394 -8.9332 -8.9250 -8.9235 -8.9208 -8.9190 -8.9181 -8.9171 -8.9163 -8.9157 -8.9151 -8.9100 -8.9090 -8.9014 -8.8901 -8.8821 -8.8800 -8.8245 -8.8207 -8.8201 -8.8168 -8.8151 -8.8130 -8.8075 -8.8057 -8.7979 -8.7790 -8.7499 -8.7387 -8.7352 -8.7119 -8.7102 -8.7084 -8.7066 -8.7006 -8.6998 -8.6949 -8.6931 -8.6783 -8.6570 -8.6565 -8.6551 -8.6451 -8.6431 -8.6297 -8.6240 -8.6219 -8.6184 -8.6052 -8.5991 -8.5943 -8.5909 -8.5856 -8.5838 -8.5788 -8.5756 -8.5745 -8.5336 -8.5320 -8.5298 -8.5278 -8.5261 -8.5238 -8.5017 -8.5006 -8.4972 -8.4901 -8.4855 -8.4826 -8.4693 -8.4672 -8.4659 -8.4583 -8.4540 -8.4519 -8.4225 -8.4211 -8.4208 -8.4170 -8.4164 -8.4161 -8.4118 -8.4106 -8.4096 -8.4076 -8.4063 -8.4048 -8.3584 -8.3557 -8.3528 -8.3475 -8.3469 -8.3428 -8.3391 -8.3353 -8.3340 -8.3310 -8.3277 -8.3267 -8.3234 -8.3218 -8.3199 -8.2991 -8.2960 -8.2937 -8.2898 -8.2883 -8.2862 -8.2843 -8.2832 -8.2784 -8.2747 -8.2739 -8.2732 -8.2689 -8.2674 -8.2627 -8.2554 -8.2537 -8.2518 -8.2463 -8.2451 -8.2371 -8.2347 -8.2321 -8.2312 -8.2286 -8.2278 -8.2271 -8.2261 -8.2259 -8.2243 -8.2179 -8.2166 -8.2078 -8.2014 -8.2004 -8.1996 -8.1979 -8.1967 -8.1884 -8.1837 -8.1808 -8.1743 -8.1490 -8.1481 -8.1472 -8.1458 -8.1444 -8.1437 -8.1330 -8.1310 -8.1277 -8.1203 -8.1192 -8.1184 -8.1077 -8.1054 -8.1045 -8.0921 -8.0919 -8.0913 -8.0749 -8.0742 -8.0738 -8.0300 -8.0292 -8.0274 -8.0258 -8.0247 -8.0233 -7.9853 -7.9788 -7.9741 -7.9448 -7.9447 -7.9444 -7.9425 -7.9356 -7.9343 -7.9275 -7.9248 -7.9241 -7.9018 -7.9003 -7.9002 -7.8974 -7.8968 -7.8954 -7.6334 -7.2515 -7.2415 -7.2135 -7.1808 -7.1288 -6.4464 -6.3451 -6.3377 -6.2946 -5.8593 -5.5167 -5.0853 -5.0710 -5.0648 -5.0530 -5.0375 -5.0319 -4.9777 -4.6325 -4.2747 -4.2660 -4.2600 -3.8045 -3.3805 -3.3674 -3.2342 -3.0795 -3.0523 -2.9468 -2.9285 -2.8325 -2.8251 -2.8230 -2.8124 -2.8037 -2.7725 -2.0728 -2.0664 -2.0616 -2.0529 -2.0488 -1.9956 -1.5893 -1.5756 -1.5354 -0.9498 -0.9359 -0.9335 -0.9266 -0.9223 -0.8760 -0.7279 -0.7127 -0.6180 0.3732 0.3917 0.4099 0.4125 0.4214 0.4519 1.3780 1.4458 1.4529 1.4616 1.4653 1.4720 1.4760 1.4804 1.4853 1.4976 1.5100 1.6455 1.8686 2.1827 2.1866 2.1912 2.2004 2.2088 2.2394 2.8586 2.9406 3.0210 3.1124 3.1297 3.1383 3.1451 3.1521 3.1803 3.2723 3.3179 3.3903 3.5111 3.5202 3.5229 3.5783 3.5916 3.6112 3.6224 3.6321 3.7925 4.1659 4.1861 4.2532 4.2957 4.3099 4.3173 4.3311 4.4934 4.5474 4.5868 4.6164 4.6856 4.8200 4.9758 5.0292 5.1939 5.6326 5.7350 5.8300 6.2055 6.2466 6.6608 7.0475</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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.98387 1.73518 0.59672 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.95961 1.84310 0.45228 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99765 1.75980 0.14153 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.41656 0.09281 0.01107 0.00777 0.00206 0.00001 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="189"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="2"
                          units="nonsi2:ev.angstrom-1">0.006290 0.039409 0.071696 0.008979 -0.011891 0.083183 -0.026986 0.009304 0.075745 0.020243 -0.034631 0.053798 -0.040672 0.008592 0.061222 0.005487 -0.007572 0.050982 0.012031 -0.007180 0.091953 0.009458 0.031459 0.047503 0.023307 -0.035305 0.067337 -0.039008 0.008536 0.052258 0.010375 -0.042566 0.077775 0.009684 0.042041 0.074239 0.004340 0.001397 -0.073862 0.000031 0.009270 -0.060127 -0.026243 0.007502 -0.067509 -0.002889 0.008417 -0.066021 -0.006036 -0.003715 -0.061670 0.015326 -0.004603 -0.049249 0.016462 -0.002200 -0.048576 -0.018306 -0.019654 -0.047018 0.008508 -0.004760 -0.052141 -0.000039 0.005360 -0.045090 0.006354 0.001707 -0.071800 0.004147 -0.009345 -0.058712 -0.002915 0.000595 0.012668 0.000400 -0.001536 0.013313 0.004138 0.003645 0.006540 -0.001549 0.002605 0.011559 -0.000259 0.002679 0.006881 -0.001414 0.000410 0.008138 0.001169 -0.000982 0.012579 -0.003700 -0.002695 0.006571 0.006826 -0.006842 0.013386 -0.003416 0.004543 0.008752 -0.000210 0.000222 0.010090 -0.003067 0.003032 0.010697 0.001065 0.002142 0.002689 0.002279 -0.003193 0.008840 -0.004747 -0.000437 -0.064256 -0.003288 -0.001175 0.002146 0.010436 -0.000859 0.008476 0.001880 -0.005076 0.005567 0.002225 -0.003362 0.012893 -0.009127 0.002029 0.010379 -0.006481 -0.005989 0.011437 0.004369 0.005238 0.001757 0.000431 -0.001608 0.008510 -0.000753 0.000233 0.007360 -0.011491 0.018107 -0.060470 0.008068 0.003288 0.000994 0.010075 -0.011192 0.010521 -0.017636 0.016432 0.001607 0.004629 -0.016329 0.006751 -0.016253 0.019511 0.018049 0.042083 -0.035058 -0.148768 -0.000863 0.006668 -0.004883 -0.023711 0.035507 -0.114169 -0.033555 -0.033052 -0.026358 0.035841 0.031419 -0.012757 0.019965 0.001354 0.007838 -0.032948 -0.012889 -0.073722 -0.009133 0.030007 0.083210 0.029792 -0.036967 0.069268 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 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">-119.57704988</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-119.56015001</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-119.56859995</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.3560</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3453251E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.4993848690228</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.499384869022803</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cd"
                        id="a1"
                        x3="0.87494874"
                        xFract="-0.0000"
                        y3="1.51545567"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a2"
                        x3="3.49979496"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a3"
                        x3="3.49979496"
                        xFract="0.16666667"
                        y3="3.03091134"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a4"
                        x3="6.12464117"
                        xFract="0.5000"
                        y3="1.51545567"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a5"
                        x3="8.74948739"
                        xFract="0.83333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a6"
                        x3="8.74948739"
                        xFract="0.66666667"
                        y3="3.03091134"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a7"
                        x3="3.49979496"
                        xFract="-0.0000"
                        y3="6.06182268"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a8"
                        x3="6.12464117"
                        xFract="0.33333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a9"
                        x3="6.12464117"
                        xFract="0.16666667"
                        y3="7.57727835"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a10"
                        x3="8.74948739"
                        xFract="0.5000"
                        y3="6.06182268"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a11"
                        x3="11.37433361"
                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a12"
                        x3="11.37433361"
                        xFract="0.66666667"
                        y3="7.57727835"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cd"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a14"
                        x3="2.62484622"
                        xFract="0.16666667"
                        y3="1.51545567"
                        yFract="0.16666667"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a15"
                        x3="5.24969243"
                        xFract="0.33333333"
                        y3="3.03091134"
                        yFract="0.33333333"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a16"
                        x3="5.24969243"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a17"
                        x3="7.87453865"
                        xFract="0.66666667"
                        y3="1.51545567"
                        yFract="0.16666667"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.49938487"
                        xFract="0.83333333"
                        y3="3.03091134"
                        yFract="0.33333333"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a19"
                        x3="2.62484622"
                        xFract="-0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="5.24969243"
                        xFract="0.16666667"
                        y3="6.06182268"
                        yFract="0.66666667"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a21"
                        x3="7.87453865"
                        xFract="0.33333333"
                        y3="7.57727835"
                        yFract="0.83333333"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.49938487"
                        xFract="0.66666667"
                        y3="6.06182268"
                        yFract="0.66666667"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.12423109"
                        xFract="0.83333333"
                        y3="7.57727835"
                        yFract="0.83333333"
                        z3="2.89015832"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="11.37358613"
                        xFract="0.9996954"
                        y3="1.51970038"
                        yFract="0.16713349"
                        z3="5.76941259"
                        zFract="0.28847063"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.49344918"
                        xFract="0.33270995"
                        y3="0.00034529"
                        yFract="0.00003797"
                        z3="5.7266649"
                        zFract="0.28633325"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49958348"
                        xFract="0.16659615"
                        y3="3.03182744"
                        yFract="0.33343408"
                        z3="5.79903405"
                        zFract="0.2899517"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.11533948"
                        xFract="0.49896783"
                        y3="1.51811512"
                        yFract="0.16695915"
                        z3="5.76753146"
                        zFract="0.28837657"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="13.99156769"
                        xFract="0.83285668"
                        y3="9.0882175"
                        yFract="0.99950328"
                        z3="5.72741024"
                        zFract="0.28637051"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.75363465"
                        xFract="0.66710645"
                        y3="3.03009688"
                        yFract="0.33324376"
                        z3="5.70954863"
                        zFract="0.28547743"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="3.49213479"
                        xFract="-0.00035751"
                        y3="6.05505633"
                        yFract="0.66592252"
                        z3="5.74781131"
                        zFract="0.28739057"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.11341386"
                        xFract="0.3327311"
                        y3="4.53787256"
                        yFract="0.4990658"
                        z3="5.77395411"
                        zFract="0.28869771"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12352051"
                        xFract="0.16703515"
                        y3="7.56863628"
                        yFract="0.8323829"
                        z3="5.75606823"
                        zFract="0.28780341"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.74330159"
                        xFract="0.49914797"
                        y3="6.06660315"
                        yFract="0.66719241"
                        z3="5.73590034"
                        zFract="0.28679502"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37746192"
                        xFract="0.83388888"
                        y3="4.54168252"
                        yFract="0.49948481"
                        z3="5.77135182"
                        zFract="0.28856759"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37249024"
                        xFract="0.6660376"
                        y3="7.58552542"
                        yFract="0.83424033"
                        z3="5.75741456"
                        zFract="0.28787073"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="-0.00142781"
                        xFract="0.00000559"
                        y3="-0.00257474"
                        yFract="-0.00028316"
                        z3="8.57903728"
                        zFract="0.42895186"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62146171"
                        xFract="0.16657054"
                        y3="1.51134167"
                        yFract="0.16621422"
                        z3="8.5775228"
                        zFract="0.42887614"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.23203975"
                        xFract="0.33327422"
                        y3="3.001411"
                        yFract="0.33008895"
                        z3="8.80799569"
                        zFract="0.44039978"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.24305261"
                        xFract="0.49957382"
                        y3="-0.00375021"
                        yFract="-0.00041244"
                        z3="8.5486374"
                        zFract="0.42743187"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87368566"
                        xFract="0.66675052"
                        y3="1.51245335"
                        yFract="0.16633648"
                        z3="8.48374446"
                        zFract="0.42418722"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.49594639"
                        xFract="0.83309259"
                        y3="3.0293338"
                        yFract="0.33315984"
                        z3="8.58081553"
                        zFract="0.42904078"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62572438"
                        xFract="0.00020514"
                        y3="4.54415743"
                        yFract="0.499757"
                        z3="8.61207508"
                        zFract="0.43060375"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.24980993"
                        xFract="0.16738606"
                        y3="6.04894364"
                        yFract="0.66525026"
                        z3="8.52628733"
                        zFract="0.42631437"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.87465302"
                        xFract="0.3335104"
                        y3="7.57425645"
                        yFract="0.83300099"
                        z3="8.57966986"
                        zFract="0.42898349"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.86693217"
                        xFract="0.49971932"
                        y3="4.53829652"
                        yFract="0.49911242"
                        z3="8.49090721"
                        zFract="0.42454536"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49521108"
                        xFract="0.66635935"
                        y3="6.0601822"
                        yFract="0.66648625"
                        z3="8.57912863"
                        zFract="0.42895643"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.12371345"
                        xFract="0.83327333"
                        y3="7.57747296"
                        yFract="0.83335474"
                        z3="8.57948183"
                        zFract="0.42897409"/>
                  <atom elementType="H"
                        id="a49"
                        x3="4.53197536"
                        xFract="0.1652891"
                        y3="4.84375188"
                        yFract="0.53270577"
                        z3="11.17265465"
                        zFract="0.55863273"/>
                  <atom elementType="H"
                        id="a50"
                        x3="6.61366033"
                        xFract="0.54043417"
                        y3="1.62714746"
                        yFract="0.1789503"
                        z3="11.61115091"
                        zFract="0.58055755"/>
                  <atom elementType="H"
                        id="a51"
                        x3="7.51648432"
                        xFract="0.5882108"
                        y3="2.32204397"
                        yFract="0.25537357"
                        z3="13.80990331"
                        zFract="0.69049517"/>
                  <atom elementType="H"
                        id="a52"
                        x3="6.52106761"
                        xFract="0.41186784"
                        y3="3.80481094"
                        yFract="0.4184452"
                        z3="13.80241774"
                        zFract="0.69012089"/>
                  <atom elementType="H"
                        id="a53"
                        x3="7.9653975"
                        xFract="0.49675661"
                        y3="4.76272164"
                        yFract="0.52379423"
                        z3="11.99565304"
                        zFract="0.59978265"/>
                  <atom elementType="H"
                        id="a54"
                        x3="8.96431217"
                        xFract="0.67182097"
                        y3="3.30926534"
                        yFract="0.36394613"
                        z3="11.99237144"
                        zFract="0.59961857"/>
                  <atom elementType="H"
                        id="a55"
                        x3="8.60628434"
                        xFract="0.53335825"
                        y3="5.20715236"
                        yFract="0.5726718"
                        z3="14.40121895"
                        zFract="0.72006095"/>
                  <atom elementType="H"
                        id="a56"
                        x3="10.0489197"
                        xFract="0.67576017"
                        y3="5.11622455"
                        yFract="0.56267175"
                        z3="13.35995858"
                        zFract="0.66799793"/>
                  <atom elementType="H"
                        id="a57"
                        x3="9.6140575"
                        xFract="0.71007154"
                        y3="3.7390527"
                        yFract="0.41121325"
                        z3="14.40022345"
                        zFract="0.72001117"/>
                  <atom elementType="C"
                        id="a58"
                        x3="6.36715534"
                        xFract="0.46304053"
                        y3="2.60762782"
                        yFract="0.28678149"
                        z3="12.03371037"
                        zFract="0.60168552"/>
                  <atom elementType="C"
                        id="a59"
                        x3="7.15156207"
                        xFract="0.50793974"
                        y3="3.14974691"
                        yFract="0.34640262"
                        z3="13.1825602"
                        zFract="0.65912801"/>
                  <atom elementType="C"
                        id="a60"
                        x3="8.35203789"
                        xFract="0.57784401"
                        y3="3.95779018"
                        yFract="0.43526954"
                        z3="12.64003901"
                        zFract="0.63200195"/>
                  <atom elementType="C"
                        id="a61"
                        x3="9.20469178"
                        xFract="0.62711988"
                        y3="4.53852525"
                        yFract="0.49913758"
                        z3="13.76394836"
                        zFract="0.68819742"/>
                  <atom elementType="N"
                        id="a62"
                        x3="5.4697267"
                        xFract="0.34351335"
                        y3="3.22689346"
                        yFract="0.35488704"
                        z3="11.35466981"
                        zFract="0.56773349"/>
                  <atom elementType="O"
                        id="a63"
                        x3="5.14965229"
                        xFract="0.24313587"
                        y3="4.49791975"
                        yFract="0.49467187"
                        z3="11.85836262"
                        zFract="0.59291813"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 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 a11" order="S"/>
                  <bond atomRefs2="a10 a12" 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 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a17" 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 a22" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a40" 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 a41" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a63" order="S"/>
                  <bond atomRefs2="a50 a58" 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 a59" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
               </bondArray>
               <formula concise="C4H9Cd48NO">
                  <atomArray count="4 9 48 1 1" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5473.776900000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
