<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-04-05T09:37:26.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
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                  <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>
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                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        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"
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                        zFract="0.0000"/>
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                        xFract="0.5000"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.83333333"
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                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="8.74948741"
                        xFract="0.66666667"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="3.49979497"
                        xFract="0.0000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="6.12464114"
                        xFract="0.33333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a9"
                        x3="6.12464119"
                        xFract="0.16666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a10"
                        x3="8.74948741"
                        xFract="0.5000"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.83333333"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="11.37433363"
                        xFract="0.66666667"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a14"
                        x3="2.62484627"
                        xFract="0.16666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        xFract="0.33333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        xFract="0.5000"
                        y3="0.0000"
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                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a17"
                        x3="7.8745387"
                        xFract="0.66666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a19"
                        x3="2.62484622"
                        xFract="0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a21"
                        x3="7.8745386"
                        xFract="0.33333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a23"
                        x3="10.49938492"
                        xFract="0.66666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        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="11.36909086"
                        xFract="0.99999902"
                        y3="1.50639279"
                        yFract="0.16566995"
                        z3="5.7643246"
                        zFract="0.28821623"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="8.74574874"
                        xFract="0.33318845"
                        y3="9.08889325"
                        yFract="0.9995776"
                        z3="5.7593234"
                        zFract="0.28796617"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.4953414"
                        xFract="0.16622172"
                        y3="3.03128911"
                        yFract="0.33337488"
                        z3="5.7127132"
                        zFract="0.28563566"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.13172696"
                        xFract="0.50084769"
                        y3="1.51231298"
                        yFract="0.16632104"
                        z3="5.724991"
                        zFract="0.28624955"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.00292161"
                        xFract="0.83392434"
                        y3="9.08846726"
                        yFract="0.99953075"
                        z3="5.7702252"
                        zFract="0.28851126"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.74538189"
                        xFract="0.66645642"
                        y3="3.02762383"
                        yFract="0.33297178"
                        z3="5.7694766"
                        zFract="0.28847383"/>
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                        x3="3.5053954"
                        xFract="0.00051808"
                        y3="6.0621014"
                        yFract="0.66669732"
                        z3="5.7983736"
                        zFract="0.28991868"/>
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                        id="a32"
                        x3="6.11743305"
                        xFract="0.33176774"
                        y3="4.56235322"
                        yFract="0.50175813"
                        z3="5.7449002"
                        zFract="0.28724501"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.11558621"
                        xFract="0.16619063"
                        y3="7.57025164"
                        yFract="0.83256055"
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                        zFract="0.2887243"/>
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                        id="a34"
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                        xFract="0.49951878"
                        y3="6.0599336"
                        yFract="0.66645891"
                        z3="5.7108228"
                        zFract="0.28554114"/>
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                        id="a35"
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                        xFract="0.83420276"
                        y3="4.53878176"
                        yFract="0.49916579"
                        z3="5.7271614"
                        zFract="0.28635807"/>
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                        id="a36"
                        x3="11.38155726"
                        xFract="0.66737211"
                        y3="7.57696126"
                        yFract="0.83329846"
                        z3="5.7169252"
                        zFract="0.28584626"/>
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                        id="a37"
                        x3="5.24913445"
                        xFract="0.00092152"
                        y3="9.07500928"
                        yFract="0.99805067"
                        z3="8.6506512"
                        zFract="0.43253256"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62277469"
                        xFract="0.16662071"
                        y3="1.51270342"
                        yFract="0.16636398"
                        z3="8.5519612"
                        zFract="0.42759806"/>
                  <atom elementType="Cd"
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                        xFract="0.33330161"
                        y3="3.03444511"
                        yFract="0.33372197"
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                        id="a40"
                        x3="10.50263285"
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                        y3="9.08895326"
                        yFract="0.9995842"
                        z3="8.546349"
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                        id="a44"
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                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a60" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a51 a60" order="S"/>
                  <bond atomRefs2="a52 a62" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a54 a59" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a58 a63" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a64" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a59 a62" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
               </bondArray>
               <formula concise="C4H9Cd48NO2">
                  <atomArray count="4 9 48 1 2" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5489.7763</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">618.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="5">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Cd H C N O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">112.41 1.00 12.01 14.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">12.00 1.00 4.00 5.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">48 9 4 1 2</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1860">-23.8539 -21.5066 -19.5571 -15.4100 -13.8621 -11.8832 -10.9136 -9.6395 -9.5432 -9.5413 -9.5400 -9.4460 -9.4458 -9.4453 -9.3906 -9.3147 -9.3087 -9.3076 -9.2906 -9.2895 -9.2891 -9.2790 -9.2271 -9.2222 -9.2195 -9.1501 -9.1334 -9.1267 -9.1238 -9.1173 -9.1066 -9.1059 -9.1049 -9.1039 -9.1027 -9.0961 -9.0853 -9.0820 -9.0791 -9.0755 -9.0736 -9.0688 -9.0496 -9.0492 -9.0156 -9.0105 -9.0071 -9.0059 -9.0028 -8.9931 -8.9662 -8.9633 -8.9571 -8.9532 -8.9522 -8.9504 -8.9491 -8.9484 -8.9437 -8.9392 -8.9222 -8.9186 -8.9170 -8.9007 -8.8982 -8.8966 -8.8961 -8.8949 -8.8895 -8.8886 -8.8839 -8.8547 -8.8546 -8.8516 -8.8503 -8.8429 -8.8417 -8.8399 -8.8356 -8.8322 -8.8315 -8.8239 -8.8204 -8.8185 -8.8175 -8.8156 -8.8144 -8.8120 -8.8113 -8.8099 -8.8084 -8.8070 -8.8066 -8.8059 -8.8028 -8.8018 -8.7995 -8.7888 -8.7814 -8.7775 -8.7554 -8.7551 -8.7284 -8.7204 -8.7201 -8.7182 -8.7165 -8.7136 -8.7094 -8.7082 -8.6933 -8.6933 -8.6792 -8.6752 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                        x3="6.11762842"
                        xFract="0.33178769"
                        y3="4.56232883"
                        yFract="0.50175545"
                        z3="5.74521836"
                        zFract="0.28726092"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.11564623"
                        xFract="0.16619587"
                        y3="7.57026029"
                        yFract="0.8325615"
                        z3="5.77461246"
                        zFract="0.28873062"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.74347704"
                        xFract="0.49952589"
                        y3="6.06003444"
                        yFract="0.66647"
                        z3="5.71098813"
                        zFract="0.28554941"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.37910304"
                        xFract="0.83420281"
                        y3="4.53881608"
                        yFract="0.49916956"
                        z3="5.72707662"
                        zFract="0.28635383"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.38153947"
                        xFract="0.66736681"
                        y3="7.57702677"
                        yFract="0.83330567"
                        z3="5.71686468"
                        zFract="0.28584323"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="5.24909345"
                        xFract="0.00090993"
                        y3="9.07514898"
                        yFract="0.99806603"
                        z3="8.65049447"
                        zFract="0.43252472"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62294032"
                        xFract="0.16663163"
                        y3="1.51279166"
                        yFract="0.16637368"
                        z3="8.55203115"
                        zFract="0.42760156"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.2513847"
                        xFract="0.33331299"
                        y3="3.03421232"
                        yFract="0.33369637"
                        z3="8.46087123"
                        zFract="0.42304356"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="10.50270482"
                        xFract="0.50052411"
                        y3="9.08895315"
                        yFract="0.99958419"
                        z3="8.54670706"
                        zFract="0.42733535"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87543468"
                        xFract="0.66707194"
                        y3="1.50963749"
                        yFract="0.1660268"
                        z3="8.58118621"
                        zFract="0.42905931"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.50356856"
                        xFract="0.83417158"
                        y3="3.02291374"
                        yFract="0.33245377"
                        z3="8.5599464"
                        zFract="0.42799732"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="2.62913083"
                        xFract="0.00048264"
                        y3="4.54501107"
                        yFract="0.49985088"
                        z3="8.58132941"
                        zFract="0.42906647"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.25673878"
                        xFract="0.16836841"
                        y3="6.0430803"
                        yFract="0.66460542"
                        z3="8.86577113"
                        zFract="0.44328856"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.86657505"
                        xFract="0.33308512"
                        y3="7.56799894"
                        yFract="0.8323128"
                        z3="8.55140225"
                        zFract="0.42757011"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.87289564"
                        xFract="0.50005795"
                        y3="4.54246732"
                        yFract="0.49957112"
                        z3="8.55850478"
                        zFract="0.42792524"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.50100442"
                        xFract="0.66679168"
                        y3="6.0623544"
                        yFract="0.66672514"
                        z3="8.46252173"
                        zFract="0.42312609"/>
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                        id="a48"
                        x3="13.12740028"
                        xFract="0.83386702"
                        y3="7.57306214"
                        yFract="0.83286964"
                        z3="8.62840679"
                        zFract="0.43142034"/>
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                        id="a49"
                        x3="4.61572064"
                        xFract="0.34578618"
                        y3="1.70637918"
                        yFract="0.18766404"
                        z3="12.06873288"
                        zFract="0.60343664"/>
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                        id="a50"
                        x3="4.17963938"
                        xFract="0.2147776"
                        y3="3.33351663"
                        yFract="0.36661323"
                        z3="11.42634907"
                        zFract="0.57131745"/>
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                        id="a51"
                        x3="4.38876908"
                        xFract="0.24748785"
                        y3="3.10088869"
                        yFract="0.3410293"
                        z3="13.19501878"
                        zFract="0.65975094"/>
                  <atom elementType="H"
                        id="a52"
                        x3="8.41435917"
                        xFract="0.60172409"
                        y3="3.63146336"
                        yFract="0.3993808"
                        z3="12.1127591"
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                        id="a53"
                        x3="8.0688353"
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                        y3="6.29241064"
                        yFract="0.69202625"
                        z3="13.01709042"
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                        id="a55"
                        x3="10.23152417"
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                        z3="13.23434585"
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                        id="a56"
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                        id="a57"
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                        yFract="0.55827152"
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                        id="a58"
                        x3="6.50992307"
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                        y3="4.3535549"
                        yFract="0.47879492"
                        z3="12.00958259"
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                        id="a59"
                        x3="8.51507233"
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                        z3="12.15458004"
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                        id="a60"
                        x3="4.73945506"
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                        y3="2.78797046"
                        yFract="0.3066152"
                        z3="12.19957974"
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                        id="a61"
                        x3="10.01350319"
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                        y3="5.58012986"
                        yFract="0.61369109"
                        z3="12.33876366"
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                        id="a62"
                        x3="7.86379794"
                        xFract="0.50289059"
                        y3="4.47519684"
                        yFract="0.49217285"
                        z3="11.98804098"
                        zFract="0.59940205"/>
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                        id="a63"
                        x3="5.7136408"
                        xFract="0.25321465"
                        y3="5.29148916"
                        yFract="0.58194699"
                        z3="11.96131258"
                        zFract="0.59806563"/>
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                        id="a64"
                        x3="6.15490533"
                        xFract="0.41959865"
                        y3="3.03001095"
                        yFract="0.33323431"
                        z3="12.07570587"
                        zFract="0.60378529"/>
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               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a26 a45" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a36" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a47" 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 a60" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a51 a60" order="S"/>
                  <bond atomRefs2="a52 a62" order="S"/>
                  <bond atomRefs2="a53 a59" order="S"/>
                  <bond atomRefs2="a54 a59" 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 a63" order="S"/>
                  <bond atomRefs2="a58 a64" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a59 a62" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
               </bondArray>
               <formula concise="C4H9Cd48NO2">
                  <atomArray count="4 9 48 1 2" elementType="C H Cd N O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5489.7763</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
