<?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">2022-04-02T02:28:44.000</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>
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                        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"/>
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                        id="a4"
                        x3="6.12464119"
                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        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"/>
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                        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="11.36220752"
                        xFract="0.998529"
                        y3="1.52120349"
                        yFract="0.1672988"
                        z3="5.7700698"
                        zFract="0.28850349"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.49968552"
                        xFract="0.33295949"
                        y3="0.00660896"
                        yFract="0.00072684"
                        z3="5.7674646"
                        zFract="0.28837323"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49661445"
                        xFract="0.16543963"
                        y3="3.04771677"
                        yFract="0.33518156"
                        z3="5.758963"
                        zFract="0.28794815"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.12938618"
                        xFract="0.49928569"
                        y3="1.53666432"
                        yFract="0.16899915"
                        z3="5.7457464"
                        zFract="0.28728732"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="8.74959518"
                        xFract="0.83231576"
                        y3="0.01869175"
                        yFract="0.00205568"
                        z3="5.7650224"
                        zFract="0.28825112"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.73906378"
                        xFract="0.66465468"
                        y3="3.04944603"
                        yFract="0.33537174"
                        z3="5.8075106"
                        zFract="0.29037553"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="13.99552102"
                        xFract="0.99957331"
                        y3="6.063245"
                        yFract="0.66682309"
                        z3="5.770406"
                        zFract="0.2885203"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.12910018"
                        xFract="0.33358072"
                        y3="4.54959138"
                        yFract="0.50035461"
                        z3="5.799756"
                        zFract="0.2899878"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.11619092"
                        xFract="0.16557565"
                        y3="7.58248273"
                        yFract="0.8339057"
                        z3="5.7142958"
                        zFract="0.28571479"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.72014152"
                        xFract="0.49783153"
                        y3="6.05042879"
                        yFract="0.66541359"
                        z3="5.7501682"
                        zFract="0.28750841"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.36744508"
                        xFract="0.83298967"
                        y3="4.54068542"
                        yFract="0.49937515"
                        z3="5.7111262"
                        zFract="0.28555631"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.36569946"
                        xFract="0.66465302"
                        y3="7.59894267"
                        yFract="0.83571593"
                        z3="5.7147448"
                        zFract="0.28573724"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="10.49777689"
                        xFract="0.99979518"
                        y3="0.00093964"
                        yFract="0.00010334"
                        z3="8.5757638"
                        zFract="0.42878819"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.6261535"
                        xFract="0.16663663"
                        y3="1.51826617"
                        yFract="0.16697576"
                        z3="8.5858972"
                        zFract="0.42929486"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.2780245"
                        xFract="0.33485129"
                        y3="3.05237916"
                        yFract="0.33569432"
                        z3="8.5678262"
                        zFract="0.42839131"/>
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                        id="a40"
                        x3="5.25007582"
                        xFract="0.49967647"
                        y3="0.00654759"
                        yFract="0.00072009"
                        z3="8.546017"
                        zFract="0.42730085"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87512326"
                        xFract="0.66507335"
                        y3="1.54544345"
                        yFract="0.16996466"
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                  <atom elementType="Cd"
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                        id="a43"
                        x3="13.12162918"
                        xFract="0.99975708"
                        y3="4.54627799"
                        yFract="0.49999021"
                        z3="8.5797738"
                        zFract="0.42898869"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.26549275"
                        xFract="0.16846519"
                        y3="6.05648264"
                        yFract="0.66607938"
                        z3="8.5463484"
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                  <atom elementType="Cd"
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                  <atom elementType="H"
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                  <bond atomRefs2="a4 a6" order="S"/>
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                  <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"/>
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                  <bond atomRefs2="a15 a20" order="S"/>
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                  <bond atomRefs2="a17 a18" order="S"/>
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                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a48" 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="a46 a63" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a59" order="S"/>
                  <bond atomRefs2="a50 a64" order="S"/>
                  <bond atomRefs2="a51 a60" order="S"/>
                  <bond atomRefs2="a52 a60" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a62" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a59 a64" order="S"/>
                  <bond atomRefs2="a59 a63" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
               </bondArray>
               <formula concise="C4H10Cd48N2">
                  <atomArray count="4 10 48 2" elementType="C H Cd N"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5471.784200000001</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="4">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Cd H C N</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">112.41 1.00 12.01 14.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">12.00 1.00 4.00 5.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">48 10 4 2</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1860">-20.8477 -18.9640 -15.3091 -13.9954 -12.2360 -11.5098 -9.4209 -9.4179 -9.4173 -9.3277 -9.3267 -9.3261 -9.2760 -9.2693 -9.1939 -9.1852 -9.1851 -9.1797 -9.1619 -9.1612 -9.1584 -9.1081 -9.1001 -9.0988 -9.0771 -9.0299 -9.0152 -9.0113 -9.0016 -9.0004 -8.9876 -8.9833 -8.9814 -8.9786 -8.9754 -8.9689 -8.9661 -8.9640 -8.9584 -8.9575 -8.9528 -8.9465 -8.9307 -8.9301 -8.9035 -8.8978 -8.8922 -8.8849 -8.8767 -8.8730 -8.8500 -8.8471 -8.8434 -8.8398 -8.8369 -8.8328 -8.8322 -8.8295 -8.8235 -8.8205 -8.8139 -8.7945 -8.7922 -8.7885 -8.7876 -8.7828 -8.7759 -8.7746 -8.7701 -8.7687 -8.7661 -8.7488 -8.7441 -8.7359 -8.7352 -8.7302 -8.7266 -8.7257 -8.7213 -8.7135 -8.7119 -8.7097 -8.7054 -8.7037 -8.7027 -8.7014 -8.7005 -8.7003 -8.6977 -8.6966 -8.6956 -8.6939 -8.6905 -8.6888 -8.6863 -8.6811 -8.6793 -8.6617 -8.6566 -8.6540 -8.6387 -8.6371 -8.6249 -8.6165 -8.6141 -8.6053 -8.5995 -8.5918 -8.5898 -8.5863 -8.5862 -8.5852 -8.5649 -8.5617 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                        x3="6.13387135"
                        xFract="0.33437663"
                        y3="4.54338137"
                        yFract="0.49967164"
                        z3="5.79712248"
                        zFract="0.28985612"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.12102721"
                        xFract="0.1663228"
                        y3="7.57727221"
                        yFract="0.83333266"
                        z3="5.71250353"
                        zFract="0.28562518"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.7242858"
                        xFract="0.49865409"
                        y3="6.04264817"
                        yFract="0.66455789"
                        z3="5.74868201"
                        zFract="0.2874341"/>
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                        id="a35"
                        x3="11.37249832"
                        xFract="0.83388885"
                        y3="4.53308581"
                        yFract="0.49853936"
                        z3="5.71061459"
                        zFract="0.28553073"/>
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                        x3="11.36788698"
                        xFract="0.66555441"
                        y3="7.5863394"
                        yFract="0.83432985"
                        z3="5.71029548"
                        zFract="0.28551477"/>
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                        x3="0.00185059"
                        xFract="0.00032223"
                        y3="-0.00265461"
                        yFract="-0.00029195"
                        z3="8.57855871"
                        zFract="0.42892794"/>
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                        id="a38"
                        x3="2.62542807"
                        xFract="0.1667235"
                        y3="1.51542988"
                        yFract="0.16666383"
                        z3="8.58101345"
                        zFract="0.42905067"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.27665655"
                        xFract="0.33534383"
                        y3="3.04105273"
                        yFract="0.33444866"
                        z3="8.55480193"
                        zFract="0.4277401"/>
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                        id="a40"
                        x3="5.25229624"
                        xFract="0.50030504"
                        y3="-0.00103738"
                        yFract="-0.00011409"
                        z3="8.54876164"
                        zFract="0.42743808"/>
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                        id="a41"
                        x3="7.87703963"
                        xFract="0.66607987"
                        y3="1.53045872"
                        yFract="0.16831667"
                        z3="8.60195815"
                        zFract="0.43009791"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.48805942"
                        xFract="0.83173541"
                        y3="3.04035398"
                        yFract="0.33437182"
                        z3="8.6256213"
                        zFract="0.43128107"/>
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                        id="a43"
                        x3="2.62450457"
                        xFract="-0.00002765"
                        y3="4.54627813"
                        yFract="0.49999023"
                        z3="8.57957107"
                        zFract="0.42897855"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.27759105"
                        xFract="0.16986445"
                        y3="6.05199125"
                        yFract="0.66558543"
                        z3="8.5364264"
                        zFract="0.42682132"/>
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                        id="a45"
                        x3="7.8686984"
                        xFract="0.33460033"
                        y3="7.54412179"
                        yFract="0.82968684"
                        z3="8.52737739"
                        zFract="0.42636887"/>
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                        id="a46"
                        x3="7.88277504"
                        xFract="0.50172699"
                        y3="4.52922671"
                        yFract="0.49811494"
                        z3="9.14827167"
                        zFract="0.45741358"/>
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                        id="a47"
                        x3="10.47033831"
                        xFract="0.66483296"
                        y3="6.0448593"
                        yFract="0.66480107"
                        z3="8.36817273"
                        zFract="0.41840864"/>
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                        id="a48"
                        x3="13.12143846"
                        xFract="0.83310745"
                        y3="7.57654918"
                        yFract="0.83325314"
                        z3="8.57818285"
                        zFract="0.42890914"/>
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                        y3="5.88295348"
                        yFract="0.646995"
                        z3="13.28893313"
                        zFract="0.66444666"/>
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                        x3="10.06717381"
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                        y3="5.4701286"
                        yFract="0.60159338"
                        z3="11.01353988"
                        zFract="0.55067699"/>
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                        id="a51"
                        x3="10.43617854"
                        xFract="0.56514273"
                        y3="7.79860634"
                        yFract="0.85767453"
                        z3="12.01228434"
                        zFract="0.60061422"/>
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                        yFract="0.72293783"
                        z3="12.59172565"
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                        z3="13.59196886"
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                        id="a58"
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                        id="a59"
                        x3="8.50041996"
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                        id="a60"
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                        id="a61"
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                        yFract="0.4909593"
                        z3="12.16690126"
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                        id="a62"
                        x3="6.30626605"
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                        y3="2.9714301"
                        yFract="0.32679171"
                        z3="12.48814096"
                        zFract="0.62440705"/>
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                        id="a63"
                        x3="7.67250128"
                        xFract="0.46612708"
                        y3="4.81242299"
                        yFract="0.52926028"
                        z3="11.57440538"
                        zFract="0.57872027"/>
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                        id="a64"
                        x3="9.7722678"
                        xFract="0.6129803"
                        y3="5.77873066"
                        yFract="0.63553279"
                        z3="11.94528069"
                        zFract="0.59726403"/>
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               <bondArray>
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                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 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 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 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 a29" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="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 a63" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a59" order="S"/>
                  <bond atomRefs2="a50 a64" order="S"/>
                  <bond atomRefs2="a51 a60" order="S"/>
                  <bond atomRefs2="a52 a60" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a62" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a59 a63" order="S"/>
                  <bond atomRefs2="a59 a64" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a61 a63" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
               </bondArray>
               <formula concise="C4H10Cd48N2">
                  <atomArray count="4 10 48 2" elementType="C H Cd N"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5471.784200000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
