<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2021-10-31T14:14:43.000</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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                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        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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                        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"/>
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                        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"/>
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                        id="a8"
                        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"/>
                  <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"/>
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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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                        id="a15"
                        x3="5.24969238"
                        xFract="0.33333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
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                        id="a16"
                        x3="5.24969243"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a17"
                        x3="7.8745387"
                        xFract="0.66666667"
                        y3="1.5154557"
                        yFract="0.16666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.49938482"
                        xFract="0.83333333"
                        y3="3.03091131"
                        yFract="0.33333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a19"
                        x3="2.62484622"
                        xFract="0.0000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="5.24969249"
                        xFract="0.16666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a21"
                        x3="7.8745386"
                        xFract="0.33333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a22"
                        x3="7.87453865"
                        xFract="0.5000"
                        y3="4.54636701"
                        yFract="0.5000"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.49938492"
                        xFract="0.66666667"
                        y3="6.06182271"
                        yFract="0.66666667"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.12423103"
                        xFract="0.83333333"
                        y3="7.57727832"
                        yFract="0.83333333"
                        z3="2.8901584"
                        zFract="0.14450792"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="0.8867782"
                        xFract="0.00124816"
                        y3="1.51324653"
                        yFract="0.16642371"
                        z3="5.7278674"
                        zFract="0.28639337"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="3.50449229"
                        xFract="0.33312542"
                        y3="0.01191703"
                        yFract="0.00131061"
                        z3="5.7329686"
                        zFract="0.28664843"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="3.49439619"
                        xFract="0.16565956"
                        y3="3.03987511"
                        yFract="0.33431915"
                        z3="5.744187"
                        zFract="0.28720935"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="6.10988425"
                        xFract="0.49902631"
                        y3="1.50760294"
                        yFract="0.16580304"
                        z3="5.6807138"
                        zFract="0.28403569"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="14.00442308"
                        xFract="0.83459845"
                        y3="9.07880886"
                        yFract="0.99846854"
                        z3="5.6925758"
                        zFract="0.28462879"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="8.76360184"
                        xFract="0.66881737"
                        y3="3.01624673"
                        yFract="0.33172055"
                        z3="5.6553562"
                        zFract="0.28276781"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="13.98833755"
                        xFract="0.99883481"
                        y3="6.06423283"
                        yFract="0.66693173"
                        z3="5.7609492"
                        zFract="0.28804746"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="6.09455148"
                        xFract="0.33020855"
                        y3="4.55107577"
                        yFract="0.50051786"
                        z3="5.7134906"
                        zFract="0.28567453"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.11365217"
                        xFract="0.16493376"
                        y3="7.58975855"
                        yFract="0.83470588"
                        z3="5.7100302"
                        zFract="0.28550151"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.75995078"
                        xFract="0.50016347"
                        y3="6.07697302"
                        yFract="0.66833287"
                        z3="5.7348756"
                        zFract="0.28674378"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.39119769"
                        xFract="0.83467035"
                        y3="4.55126217"
                        yFract="0.50053836"
                        z3="5.6856068"
                        zFract="0.28428034"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.37516413"
                        xFract="0.66633444"
                        y3="7.58475855"
                        yFract="0.83415599"
                        z3="5.7394682"
                        zFract="0.28697341"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="10.50200163"
                        xFract="0.99991334"
                        y3="0.00610832"
                        yFract="0.00067178"
                        z3="8.6078422"
                        zFract="0.43039211"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.63108653"
                        xFract="0.16651536"
                        y3="1.52901579"
                        yFract="0.16815798"
                        z3="8.5984684"
                        zFract="0.42992342"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24572876"
                        xFract="0.33309754"
                        y3="3.02833407"
                        yFract="0.33304989"
                        z3="8.5496608"
                        zFract="0.42748304"/>
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                        id="a40"
                        x3="5.24962324"
                        xFract="0.49973615"
                        y3="0.00467839"
                        yFract="0.00051452"
                        z3="8.6120806"
                        zFract="0.43060403"/>
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                        id="a41"
                        x3="7.87468265"
                        xFract="0.66851289"
                        y3="1.48213065"
                        yFract="0.16300165"
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                        yFract="0.33363809"
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                        zFract="0.42268795"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="13.12285908"
                        xFract="0.99947537"
                        y3="4.55353127"
                        yFract="0.50078791"
                        z3="8.6295778"
                        zFract="0.43147889"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.24414194"
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                        y3="6.07585489"
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                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
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                  <bond atomRefs2="a15 a28" order="S"/>
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                  <bond atomRefs2="a17 a18" order="S"/>
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                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a46" 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="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a59" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a61" order="S"/>
                  <bond atomRefs2="a53 a61" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a62" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a62" order="S"/>
                  <bond atomRefs2="a58 a63" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
               </bondArray>
               <formula concise="C4H10Cd48O">
                  <atomArray count="4 10 48 1" elementType="C H Cd O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5459.770200000001</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">608.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="4">PAW_PBE Cd 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Cd H C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">112.41 1.00 12.01 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">12.00 1.00 4.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">48 10 4 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1860">-22.0394 -16.2637 -13.7064 -13.5455 -10.6960 -9.5688 -9.5662 -9.5634 -9.4510 -9.4505 -9.4497 -9.4156 -9.3311 -9.3270 -9.3216 -9.2882 -9.2869 -9.2845 -9.2804 -9.2465 -9.2437 -9.2392 -9.1636 -9.1483 -9.1433 -9.1394 -9.1370 -9.1350 -9.1328 -9.1297 -9.1257 -9.1230 -9.1176 -9.0995 -9.0948 -9.0928 -9.0894 -9.0865 -9.0835 -9.0828 -9.0796 -9.0402 -9.0380 -9.0360 -9.0275 -9.0274 -9.0192 -8.9987 -8.9973 -8.9751 -8.9712 -8.9606 -8.9596 -8.9569 -8.9550 -8.9523 -8.9512 -8.9366 -8.9319 -8.9230 -8.9206 -8.9179 -8.9090 -8.9034 -8.9018 -8.9000 -8.8962 -8.8923 -8.8649 -8.8603 -8.8580 -8.8555 -8.8552 -8.8541 -8.8506 -8.8485 -8.8431 -8.8394 -8.8324 -8.8306 -8.8271 -8.8254 -8.8236 -8.8208 -8.8194 -8.8173 -8.8065 -8.8057 -8.8033 -8.8021 -8.8013 -8.8006 -8.7999 -8.7995 -8.7985 -8.7886 -8.7863 -8.7656 -8.7651 -8.7408 -8.7354 -8.7328 -8.7296 -8.7233 -8.7192 -8.7103 -8.7057 -8.7004 -8.6881 -8.6800 -8.6764 -8.6763 -8.6754 -8.6731 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                        x3="6.12422397"
                        xFract="0.33316917"
                        y3="4.54862984"
                        yFract="0.50024886"
                        z3="5.77394737"
                        zFract="0.28869737"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="6.11868678"
                        xFract="0.16620383"
                        y3="7.57538198"
                        yFract="0.83312477"
                        z3="5.72011071"
                        zFract="0.28600554"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="8.75006577"
                        xFract="0.50036383"
                        y3="6.05620801"
                        yFract="0.66604918"
                        z3="5.770304"
                        zFract="0.2885152"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="11.38034078"
                        xFract="0.83388157"
                        y3="4.54680175"
                        yFract="0.50004781"
                        z3="5.71916726"
                        zFract="0.28595836"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="11.36888786"
                        xFract="0.66621899"
                        y3="7.57598717"
                        yFract="0.83319133"
                        z3="5.76852746"
                        zFract="0.28842637"/>
                  <atom elementType="Cd"
                        id="a37"
                        x3="-0.00024805"
                        xFract="-0.00000616"
                        y3="-0.00031769"
                        yFract="-0.00003494"
                        z3="8.5791687"
                        zFract="0.42895844"/>
                  <atom elementType="Cd"
                        id="a38"
                        x3="2.62487"
                        xFract="0.16671981"
                        y3="1.51453034"
                        yFract="0.1665649"
                        z3="8.58023669"
                        zFract="0.42901183"/>
                  <atom elementType="Cd"
                        id="a39"
                        x3="5.24969968"
                        xFract="0.3334335"
                        y3="3.02910233"
                        yFract="0.33313438"
                        z3="8.57561828"
                        zFract="0.42878091"/>
                  <atom elementType="Cd"
                        id="a40"
                        x3="5.24954142"
                        xFract="0.49989377"
                        y3="0.00167025"
                        yFract="0.00018369"
                        z3="8.58110154"
                        zFract="0.42905508"/>
                  <atom elementType="Cd"
                        id="a41"
                        x3="7.87454609"
                        xFract="0.66687528"
                        y3="1.51167477"
                        yFract="0.16625085"
                        z3="8.49345808"
                        zFract="0.4246729"/>
                  <atom elementType="Cd"
                        id="a42"
                        x3="10.50108691"
                        xFract="0.83308253"
                        y3="3.03842038"
                        yFract="0.33415916"
                        z3="8.52208158"
                        zFract="0.42610408"/>
                  <atom elementType="Cd"
                        id="a43"
                        x3="13.12154763"
                        xFract="0.99980031"
                        y3="4.54535054"
                        yFract="0.49988821"
                        z3="8.59354339"
                        zFract="0.42967717"/>
                  <atom elementType="Cd"
                        id="a44"
                        x3="5.24998508"
                        xFract="0.16672118"
                        y3="6.06133823"
                        yFract="0.66661339"
                        z3="8.57111098"
                        zFract="0.42855555"/>
                  <atom elementType="Cd"
                        id="a45"
                        x3="7.86940681"
                        xFract="0.33300947"
                        y3="7.57427941"
                        yFract="0.83300352"
                        z3="8.48563718"
                        zFract="0.42428186"/>
                  <atom elementType="Cd"
                        id="a46"
                        x3="7.87538967"
                        xFract="0.50141522"
                        y3="4.52210456"
                        yFract="0.49733167"
                        z3="8.66549537"
                        zFract="0.43327477"/>
                  <atom elementType="Cd"
                        id="a47"
                        x3="10.49801257"
                        xFract="0.66658174"
                        y3="6.06099022"
                        yFract="0.66657511"
                        z3="8.57497999"
                        zFract="0.428749"/>
                  <atom elementType="Cd"
                        id="a48"
                        x3="13.1240225"
                        xFract="0.83329267"
                        y3="7.57765651"
                        yFract="0.83337492"
                        z3="8.58111363"
                        zFract="0.42905568"/>
                  <atom elementType="H"
                        id="a49"
                        x3="6.19451673"
                        xFract="0.2867292"
                        y3="5.51491296"
                        yFract="0.60651867"
                        z3="13.30021335"
                        zFract="0.66501067"/>
                  <atom elementType="H"
                        id="a50"
                        x3="6.4624997"
                        xFract="0.3987462"
                        y3="3.94199147"
                        yFract="0.43353203"
                        z3="14.09482011"
                        zFract="0.70474101"/>
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                        id="a51"
                        x3="5.7892906"
                        xFract="0.33143979"
                        y3="3.99995779"
                        yFract="0.43990705"
                        z3="12.43944404"
                        zFract="0.6219722"/>
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                        id="a52"
                        x3="8.39980412"
                        xFract="0.66688717"
                        y3="2.42123216"
                        yFract="0.26628208"
                        z3="13.22932553"
                        zFract="0.66146628"/>
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                        id="a53"
                        x3="9.32193868"
                        xFract="0.72585407"
                        y3="2.94607549"
                        yFract="0.32400326"
                        z3="11.79024691"
                        zFract="0.58951235"/>
                  <atom elementType="H"
                        id="a54"
                        x3="7.61020312"
                        xFract="0.58885065"
                        y3="2.47273383"
                        yFract="0.27194613"
                        z3="11.62463628"
                        zFract="0.58123181"/>
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                        id="a55"
                        x3="8.98684725"
                        xFract="0.60117917"
                        y3="4.6329515"
                        yFract="0.50952238"
                        z3="14.4218219"
                        zFract="0.72109109"/>
                  <atom elementType="H"
                        id="a56"
                        x3="8.63234895"
                        xFract="0.48251511"
                        y3="6.17690389"
                        yFract="0.67932306"
                        z3="13.60202483"
                        zFract="0.68010124"/>
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                        id="a57"
                        x3="9.92142885"
                        xFract="0.66405504"
                        y3="5.10826708"
                        yFract="0.5617966"
                        z3="12.97421084"
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                        id="a58"
                        x3="7.56836416"
                        xFract="0.39246579"
                        y3="5.97161716"
                        yFract="0.65674605"
                        z3="11.3286588"
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                        id="a59"
                        x3="6.50309911"
                        xFract="0.37354096"
                        y3="4.4706808"
                        yFract="0.49167619"
                        z3="13.13100359"
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                  <atom elementType="C"
                        id="a60"
                        x3="7.91484894"
                        xFract="0.51109441"
                        y3="4.41442942"
                        yFract="0.48548978"
                        z3="12.54496109"
                        zFract="0.62724805"/>
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                        id="a61"
                        x3="8.33800493"
                        xFract="0.63062817"
                        y3="2.97357976"
                        yFract="0.32702812"
                        z3="12.28046364"
                        zFract="0.61402318"/>
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                        id="a62"
                        x3="8.92712109"
                        xFract="0.56830066"
                        y3="5.12741373"
                        yFract="0.56390231"
                        z3="13.44264126"
                        zFract="0.67213206"/>
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                        id="a63"
                        x3="7.91893593"
                        xFract="0.47575284"
                        y3="5.06421135"
                        yFract="0.55695145"
                        z3="11.24234498"
                        zFract="0.56211725"/>
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               <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 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a44" 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 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="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a59" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a61" order="S"/>
                  <bond atomRefs2="a53 a61" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a62" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a62" order="S"/>
                  <bond atomRefs2="a58 a63" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a60 a62" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
               </bondArray>
               <formula concise="C4H10Cd48O">
                  <atomArray count="4 10 48 1" elementType="C H Cd O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5459.770200000001</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
