<?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">2022-04-07T12:24:52.000</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">9.40530916445849</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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                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a2"
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                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a3"
                        x3="3.13510307"
                        xFract="0.16666667"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="0.0000"
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                        xFract="0.5000"
                        y3="1.35753947"
                        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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                        xFract="0.66666667"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="3.13510307"
                        xFract="0.0000"
                        y3="5.43015781"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="5.48643031"
                        xFract="0.33333333"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a9"
                        x3="5.48643036"
                        xFract="0.16666667"
                        y3="6.7876972"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a10"
                        x3="7.83775765"
                        xFract="0.5000"
                        y3="5.43015781"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="10.1890849"
                        xFract="0.83333333"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a12"
                        x3="10.18908494"
                        xFract="0.66666667"
                        y3="6.7876972"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        xFract="0.16666667"
                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        xFract="0.33333333"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a17"
                        x3="7.05398192"
                        xFract="0.66666667"
                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a18"
                        x3="9.40530912"
                        xFract="0.83333333"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a19"
                        x3="2.35132729"
                        xFract="0.0000"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        id="a20"
                        x3="4.70265463"
                        xFract="0.16666667"
                        y3="5.43015781"
                        yFract="0.66666667"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a21"
                        x3="7.05398183"
                        xFract="0.33333333"
                        y3="6.7876972"
                        yFract="0.83333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a22"
                        x3="7.05398187"
                        xFract="0.5000"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a23"
                        x3="9.40530921"
                        xFract="0.66666667"
                        y3="5.43015781"
                        yFract="0.66666667"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a24"
                        x3="11.75663641"
                        xFract="0.83333333"
                        y3="6.7876972"
                        yFract="0.83333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a25"
                        x3="10.15203964"
                        xFract="0.99472497"
                        y3="1.37930786"
                        yFract="0.1693392"
                        z3="4.7444444"
                        zFract="0.23722222"/>
                  <atom elementType="Zn"
                        id="a26"
                        x3="3.11100935"
                        xFract="0.33065693"
                        y3="0.00186835"
                        yFract="0.00022938"
                        z3="4.7313348"
                        zFract="0.23656674"/>
                  <atom elementType="Zn"
                        id="a27"
                        x3="3.11051792"
                        xFract="0.16468478"
                        y3="2.70478206"
                        yFract="0.33206918"
                        z3="4.7517762"
                        zFract="0.23758881"/>
                  <atom elementType="Zn"
                        id="a28"
                        x3="5.52052475"
                        xFract="0.50332446"
                        y3="1.36243565"
                        yFract="0.16726778"
                        z3="4.8231428"
                        zFract="0.24115714"/>
                  <atom elementType="Zn"
                        id="a29"
                        x3="7.81282075"
                        xFract="0.82814593"
                        y3="0.04131329"
                        yFract="0.00507208"
                        z3="4.8199336"
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                        id="a30"
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                        xFract="0.66579986"
                        y3="2.69534572"
                        yFract="0.33091067"
                        z3="5.2606972"
                        zFract="0.26303486"/>
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                        id="a31"
                        x3="3.13016143"
                        xFract="0.00027952"
                        y3="5.41704511"
                        yFract="0.66505681"
                        z3="4.7319184"
                        zFract="0.23659592"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="5.50564282"
                        xFract="0.33604248"
                        y3="4.06176204"
                        yFract="0.49866716"
                        z3="4.7445858"
                        zFract="0.23722929"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="5.46456603"
                        xFract="0.16476308"
                        y3="6.78083744"
                        yFract="0.83249115"
                        z3="4.7538266"
                        zFract="0.23769133"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.8152823"
                        xFract="0.50016383"
                        y3="5.38856049"
                        yFract="0.66155972"
                        z3="4.825171"
                        zFract="0.24125855"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.14138098"
                        xFract="0.83026401"
                        y3="4.0399934"
                        yFract="0.4959946"
                        z3="4.8235256"
                        zFract="0.24117628"/>
                  <atom elementType="Zn"
                        id="a36"
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                        xFract="0.66580579"
                        y3="6.80329565"
                        yFract="0.83524837"
                        z3="4.709031"
                        zFract="0.23545155"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="9.37925204"
                        xFract="0.99414505"
                        y3="0.05024764"
                        yFract="0.00616896"
                        z3="7.1150054"
                        zFract="0.35575027"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.36849438"
                        xFract="0.16845519"
                        y3="1.35813782"
                        yFract="0.16674013"
                        z3="7.213678"
                        zFract="0.3606839"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.71794461"
                        xFract="0.33374514"
                        y3="2.73485346"
                        yFract="0.33576108"
                        z3="7.084437"
                        zFract="0.35422185"/>
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                        id="a40"
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                        xFract="0.49258098"
                        y3="8.13817475"
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                        z3="7.1257378"
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                        z3="7.5639812"
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                        x3="2.3636189"
                        xFract="0.0009264"
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                        yFract="0.50076096"
                        z3="7.1623256"
                        zFract="0.35811628"/>
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                        id="a44"
                        x3="4.65955043"
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                  <bond atomRefs2="a1 a2" order="S"/>
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                  <bond atomRefs2="a4 a6" order="S"/>
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                  <bond atomRefs2="a8 a9" order="S"/>
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                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a36" 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 a41" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a59" order="S"/>
                  <bond atomRefs2="a42 a61" 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="a46 a61" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C4H8SZn48">
                  <atomArray count="4 8 1 48" elementType="C H S Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3219.7398000000026</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">606.0000</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 Zn 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE S 06Sep2000</array>
                  <array dictRef="cc:atomType" size="4">Zn H C S</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">65.39 1.00 12.01 32.07</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 8 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">-16.4770 -14.4199 -13.4531 -11.8375 -10.2269 -9.4119 -9.2630 -8.6876 -8.6304 -8.5942 -8.5931 -8.5921 -8.5481 -8.5320 -8.5305 -8.4636 -8.4562 -8.4471 -8.4440 -8.4413 -8.4301 -8.4093 -8.3889 -8.3238 -8.2882 -8.2782 -8.2764 -8.2724 -8.2646 -8.2609 -8.2582 -8.2477 -8.2437 -8.2312 -8.2276 -8.2216 -8.2188 -8.2119 -8.2093 -8.2088 -8.2066 -8.2053 -8.1969 -8.1944 -8.1898 -8.1886 -8.1715 -8.1683 -8.1632 -8.1619 -8.1447 -8.1414 -8.1393 -8.1338 -8.1302 -8.1270 -8.1188 -8.1137 -8.1030 -8.0958 -8.0917 -8.0770 -8.0664 -8.0453 -8.0425 -8.0399 -8.0343 -8.0249 -8.0244 -8.0199 -8.0171 -8.0130 -8.0087 -8.0080 -8.0054 -8.0041 -8.0028 -7.9966 -7.9945 -7.9871 -7.9854 -7.9835 -7.9698 -7.9648 -7.9330 -7.9307 -7.9303 -7.9250 -7.8858 -7.8839 -7.8735 -7.8664 -7.8653 -7.8634 -7.8594 -7.8495 -7.8461 -7.8436 -7.8393 -7.8378 -7.8343 -7.8290 -7.8204 -7.8158 -7.8151 -7.8126 -7.8117 -7.8055 -7.8021 -7.8007 -7.8002 -7.7965 -7.7932 -7.7831 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                        z3="4.75382662"
                        zFract="0.23769133"/>
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                        id="a34"
                        x3="7.81528227"
                        xFract="0.50016383"
                        y3="5.38856046"
                        yFract="0.66155972"
                        z3="4.825171"
                        zFract="0.24125855"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.14138095"
                        xFract="0.83026401"
                        y3="4.03999337"
                        yFract="0.4959946"
                        z3="4.82352562"
                        zFract="0.24117628"/>
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                        id="a36"
                        x3="10.18999386"
                        xFract="0.66580579"
                        y3="6.80329564"
                        yFract="0.83524837"
                        z3="4.70903095"
                        zFract="0.23545155"/>
                  <atom elementType="Zn"
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                        y3="0.05024767"
                        yFract="0.00616896"
                        z3="7.11500539"
                        zFract="0.35575027"/>
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                        y3="1.35813779"
                        yFract="0.16674013"
                        z3="7.21367797"
                        zFract="0.3606839"/>
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                        y3="2.7348535"
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                        z3="7.08443707"
                        zFract="0.35422185"/>
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                        y3="8.13817477"
                        yFract="0.999133"
                        z3="7.12573776"
                        zFract="0.35628689"/>
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                        y3="1.16884244"
                        yFract="0.14350012"
                        z3="7.62531466"
                        zFract="0.38126573"/>
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                        y3="2.70324067"
                        yFract="0.33187994"
                        z3="7.56398124"
                        zFract="0.37819906"/>
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                        x3="2.36361891"
                        xFract="0.0009264"
                        y3="4.07881655"
                        yFract="0.50076096"
                        z3="7.1623257"
                        zFract="0.35811628"/>
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                        x3="4.65955042"
                        xFract="0.15965282"
                        y3="5.46975803"
                        yFract="0.67152844"
                        z3="7.20892946"
                        zFract="0.36044647"/>
                  <atom elementType="Zn"
                        id="a45"
                        x3="7.01882073"
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                        y3="6.82771572"
                        yFract="0.83824645"
                        z3="7.15141278"
                        zFract="0.35757064"/>
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                        y3="4.23393423"
                        yFract="0.51980494"
                        z3="7.51159856"
                        zFract="0.37557993"/>
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                        x3="9.41573792"
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                        y3="5.47916052"
                        yFract="0.67268279"
                        z3="7.0762109"
                        zFract="0.35381054"/>
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                        id="a48"
                        x3="11.7618962"
                        xFract="0.83691629"
                        y3="6.73843933"
                        yFract="0.82728589"
                        z3="7.12658459"
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                        y3="2.68228088"
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                        id="a60"
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                        y3="3.30570495"
                        yFract="0.40584517"
                        z3="9.37739699"
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                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
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                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a26" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a37" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a36" 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 a41" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a41 a59" order="S"/>
                  <bond atomRefs2="a42 a61" 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="a46 a61" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
                  <bond atomRefs2="a50 a57" order="S"/>
                  <bond atomRefs2="a51 a57" order="S"/>
                  <bond atomRefs2="a52 a58" order="S"/>
                  <bond atomRefs2="a53 a58" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a57 a58" order="S"/>
                  <bond atomRefs2="a58 a59" order="S"/>
                  <bond atomRefs2="a59 a61" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
               </bondArray>
               <formula concise="C4H8SZn48">
                  <atomArray count="4 8 1 48" elementType="C H S Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3219.7398000000026</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
