<?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">2021-10-30T06:19:32.000</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"
                        x3="3.13510302"
                        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"
                        zFract="0.0000"/>
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                        x3="5.48643036"
                        xFract="0.5000"
                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        xFract="0.83333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        x3="7.83775765"
                        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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                        id="a8"
                        x3="5.48643031"
                        xFract="0.33333333"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        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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                        id="a11"
                        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"/>
                  <atom elementType="Zn"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a14"
                        x3="2.35132734"
                        xFract="0.16666667"
                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        x3="4.70265454"
                        xFract="0.33333333"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        x3="4.70265458"
                        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"/>
                  <atom elementType="Zn"
                        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="0.79511882"
                        xFract="0.00221741"
                        y3="1.34106353"
                        yFract="0.1646439"
                        z3="4.703455"
                        zFract="0.23517275"/>
                  <atom elementType="Zn"
                        id="a26"
                        x3="3.14256002"
                        xFract="0.33299842"
                        y3="0.01837174"
                        yFract="0.00225552"
                        z3="4.7168698"
                        zFract="0.23584349"/>
                  <atom elementType="Zn"
                        id="a27"
                        x3="3.11528284"
                        xFract="0.16463356"
                        y3="2.71386954"
                        yFract="0.33318486"
                        z3="4.6984796"
                        zFract="0.23492398"/>
                  <atom elementType="Zn"
                        id="a28"
                        x3="5.49426292"
                        xFract="0.50123301"
                        y3="1.35101954"
                        yFract="0.16586621"
                        z3="4.7006696"
                        zFract="0.23503348"/>
                  <atom elementType="Zn"
                        id="a29"
                        x3="12.54882364"
                        xFract="0.83490737"
                        y3="8.13416387"
                        yFract="0.99864058"
                        z3="4.7137758"
                        zFract="0.23568879"/>
                  <atom elementType="Zn"
                        id="a30"
                        x3="7.8398382"
                        xFract="0.66828211"
                        y3="2.6923662"
                        yFract="0.33054487"
                        z3="4.6616402"
                        zFract="0.23308201"/>
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                        id="a31"
                        x3="12.51321622"
                        xFract="0.99693529"
                        y3="5.4329785"
                        yFract="0.66701297"
                        z3="4.6848768"
                        zFract="0.23424384"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="5.47740728"
                        xFract="0.33335363"
                        y3="4.05665929"
                        yFract="0.49804069"
                        z3="4.6446298"
                        zFract="0.23223149"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="5.49682012"
                        xFract="0.16684292"
                        y3="6.8028216"
                        yFract="0.83519017"
                        z3="4.6819924"
                        zFract="0.23409962"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.84992714"
                        xFract="0.49991167"
                        y3="5.4526749"
                        yFract="0.66943112"
                        z3="4.6497484"
                        zFract="0.23248742"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.18745863"
                        xFract="0.83267625"
                        y3="4.08050569"
                        yFract="0.50096834"
                        z3="4.698581"
                        zFract="0.23492905"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="10.19623632"
                        xFract="0.66674417"
                        y3="6.79882123"
                        yFract="0.83469904"
                        z3="4.7119882"
                        zFract="0.23559941"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="14.10436104"
                        xFract="0.99971363"
                        y3="8.1436617"
                        yFract="0.99980664"
                        z3="7.1126886"
                        zFract="0.35563443"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.34948065"
                        xFract="0.1663944"
                        y3="1.35877633"
                        yFract="0.16681852"
                        z3="7.1321162"
                        zFract="0.35660581"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.70370374"
                        xFract="0.33324703"
                        y3="2.71830201"
                        yFract="0.33372904"
                        z3="7.0301464"
                        zFract="0.35150732"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="9.40927773"
                        xFract="0.50058321"
                        y3="8.14260967"
                        yFract="0.99967748"
                        z3="7.1283534"
                        zFract="0.35641767"/>
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                        id="a41"
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                        yFract="0.33339625"
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                        id="a43"
                        x3="11.75435905"
                        xFract="0.99992826"
                        y3="4.06984244"
                        yFract="0.4996592"
                        z3="7.099754"
                        zFract="0.3549877"/>
                  <atom elementType="Zn"
                        id="a44"
                        x3="4.7033035"
                        xFract="0.16730439"
                        y3="5.42089292"
                        yFract="0.66552921"
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                        id="a46"
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                        id="a48"
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                  <atom elementType="H"
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                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
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                  <bond atomRefs2="a7 a9" order="S"/>
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                  <bond atomRefs2="a10 a12" order="S"/>
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                  <bond atomRefs2="a21 a34" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a24 a29" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a31" 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 a39" order="S"/>
                  <bond atomRefs2="a27 a28" 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="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a46" 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 a43" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a47" 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 a60" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a62" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
               </bondArray>
               <formula concise="C4H10Zn48">
                  <atomArray count="4 10 48" elementType="C H Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3187.6748000000025</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">602.0000</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="3">PAW_PBE Zn 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002</array>
                  <array dictRef="cc:atomType" size="3">Zn H C</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">65.39 1.00 12.01</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">12.00 1.00 4.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">48 10 4</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">-16.1175 -14.2624 -11.8736 -10.5736 -10.4540 -9.4421 -8.7628 -8.7394 -8.6982 -8.6958 -8.6940 -8.6726 -8.6708 -8.6677 -8.6316 -8.6200 -8.6172 -8.6101 -8.5991 -8.5962 -8.5630 -8.5626 -8.5621 -8.3645 -8.3616 -8.3593 -8.3528 -8.3524 -8.3506 -8.3473 -8.3444 -8.3410 -8.3397 -8.3367 -8.3253 -8.3243 -8.3236 -8.2914 -8.2893 -8.2873 -8.2865 -8.2854 -8.2830 -8.2826 -8.2783 -8.2745 -8.2713 -8.2704 -8.2687 -8.2678 -8.2665 -8.2660 -8.2656 -8.2641 -8.2613 -8.2592 -8.1966 -8.1964 -8.1950 -8.1943 -8.1912 -8.1910 -8.1209 -8.1202 -8.1105 -8.1051 -8.1038 -8.1028 -8.1014 -8.0964 -8.0957 -8.0928 -8.0914 -8.0902 -8.0851 -8.0782 -8.0759 -8.0754 -8.0744 -8.0734 -8.0702 -8.0696 -8.0686 -8.0674 -8.0666 -8.0659 -8.0587 -8.0174 -8.0169 -7.9834 -7.9831 -7.9109 -7.9106 -7.9092 -7.9052 -7.9029 -7.9014 -7.9009 -7.8955 -7.8949 -7.8883 -7.8850 -7.8829 -7.8701 -7.8670 -7.8666 -7.8635 -7.8622 -7.8565 -7.8523 -7.8512 -7.8499 -7.8487 -7.8474 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                        xFract="0.83333333"
                        y3="6.78769722"
                        yFract="0.83333333"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a25"
                        x3="0.78254373"
                        xFract="0.00005024"
                        y3="1.35458708"
                        yFract="0.1663042"
                        z3="4.73518711"
                        zFract="0.23675936"/>
                  <atom elementType="Zn"
                        id="a26"
                        x3="3.13526551"
                        xFract="0.33329739"
                        y3="0.00086687"
                        yFract="0.00010643"
                        z3="4.73776715"
                        zFract="0.23688836"/>
                  <atom elementType="Zn"
                        id="a27"
                        x3="3.13223879"
                        xFract="0.16627818"
                        y3="2.7164465"
                        yFract="0.33350124"
                        z3="4.73397617"
                        zFract="0.23669881"/>
                  <atom elementType="Zn"
                        id="a28"
                        x3="5.48505998"
                        xFract="0.49987944"
                        y3="1.35712987"
                        yFract="0.16661638"
                        z3="4.73730506"
                        zFract="0.23686525"/>
                  <atom elementType="Zn"
                        id="a29"
                        x3="7.83842912"
                        xFract="0.83340567"
                        y3="-0.00001531"
                        yFract="-0.00000188"
                        z3="4.73474402"
                        zFract="0.2367372"/>
                  <atom elementType="Zn"
                        id="a30"
                        x3="7.8357748"
                        xFract="0.66644856"
                        y3="2.71519752"
                        yFract="0.3333479"
                        z3="4.73518304"
                        zFract="0.23675915"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="3.13166391"
                        xFract="-0.00025528"
                        y3="5.42835957"
                        yFract="0.6664459"
                        z3="4.73628424"
                        zFract="0.23681421"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="5.48482538"
                        xFract="0.33320924"
                        y3="4.07185991"
                        yFract="0.49990689"
                        z3="4.73437173"
                        zFract="0.23671859"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="5.48505142"
                        xFract="0.16639963"
                        y3="6.78965908"
                        yFract="0.83357419"
                        z3="4.73676565"
                        zFract="0.23683828"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.83660052"
                        xFract="0.49977395"
                        y3="5.43183604"
                        yFract="0.66687271"
                        z3="4.73472148"
                        zFract="0.23673607"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.18995312"
                        xFract="0.83339261"
                        y3="4.07315647"
                        yFract="0.50006607"
                        z3="4.73663289"
                        zFract="0.23683164"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="10.1883511"
                        xFract="0.66650566"
                        y3="6.78904913"
                        yFract="0.83349931"
                        z3="4.73612133"
                        zFract="0.23680607"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="-0.00349375"
                        xFract="-0.00044277"
                        y3="0.0011616"
                        yFract="0.00014261"
                        z3="7.14195305"
                        zFract="0.35709765"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.34940656"
                        xFract="0.16645541"
                        y3="1.35765415"
                        yFract="0.16668075"
                        z3="7.1385874"
                        zFract="0.35692937"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.69822534"
                        xFract="0.33290853"
                        y3="2.71432741"
                        yFract="0.33324107"
                        z3="7.13560499"
                        zFract="0.35678025"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.70089594"
                        xFract="0.50005734"
                        y3="-0.00398013"
                        yFract="-0.00048865"
                        z3="7.14363817"
                        zFract="0.35718191"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="7.05190449"
                        xFract="0.66649862"
                        y3="1.35667884"
                        yFract="0.16656101"
                        z3="7.13638261"
                        zFract="0.35681913"/>
                  <atom elementType="Zn"
                        id="a42"
                        x3="9.40193666"
                        xFract="0.83302346"
                        y3="2.71428549"
                        yFract="0.33323593"
                        z3="7.13735405"
                        zFract="0.3568677"/>
                  <atom elementType="Zn"
                        id="a43"
                        x3="2.34755404"
                        xFract="-0.00028647"
                        y3="4.07074956"
                        yFract="0.49977057"
                        z3="7.14084227"
                        zFract="0.35704211"/>
                  <atom elementType="Zn"
                        id="a44"
                        x3="4.69908826"
                        xFract="0.16636121"
                        y3="5.42895671"
                        yFract="0.66651921"
                        z3="7.1386541"
                        zFract="0.35693271"/>
                  <atom elementType="Zn"
                        id="a45"
                        x3="7.05174615"
                        xFract="0.33320689"
                        y3="6.78588464"
                        yFract="0.8331108"
                        z3="7.13754033"
                        zFract="0.35687702"/>
                  <atom elementType="Zn"
                        id="a46"
                        x3="7.0469643"
                        xFract="0.49925288"
                        y3="4.07263446"
                        yFract="0.50000198"
                        z3="7.1209991"
                        zFract="0.35604996"/>
                  <atom elementType="Zn"
                        id="a47"
                        x3="9.40241744"
                        xFract="0.6664372"
                        y3="5.4288873"
                        yFract="0.66651069"
                        z3="7.13478901"
                        zFract="0.35673945"/>
                  <atom elementType="Zn"
                        id="a48"
                        x3="11.75467111"
                        xFract="0.83313699"
                        y3="6.78749167"
                        yFract="0.8333081"
                        z3="7.13754485"
                        zFract="0.35687724"/>
                  <atom elementType="H"
                        id="a49"
                        x3="4.98440904"
                        xFract="0.18782426"
                        y3="5.57350362"
                        yFract="0.6842654"
                        z3="11.72486438"
                        zFract="0.58624322"/>
                  <atom elementType="H"
                        id="a50"
                        x3="4.05128357"
                        xFract="0.1612536"
                        y3="4.39013153"
                        yFract="0.53898146"
                        z3="10.76976275"
                        zFract="0.53848814"/>
                  <atom elementType="H"
                        id="a51"
                        x3="5.02545241"
                        xFract="0.18851751"
                        y3="5.63329947"
                        yFract="0.6916066"
                        z3="9.95018086"
                        zFract="0.49750904"/>
                  <atom elementType="H"
                        id="a52"
                        x3="6.19179642"
                        xFract="0.45006225"
                        y3="3.39277893"
                        yFract="0.41653534"
                        z3="9.89707296"
                        zFract="0.49485365"/>
                  <atom elementType="H"
                        id="a53"
                        x3="6.15613096"
                        xFract="0.4506533"
                        y3="3.32137612"
                        yFract="0.40776914"
                        z3="11.66104439"
                        zFract="0.58305222"/>
                  <atom elementType="H"
                        id="a54"
                        x3="7.55005109"
                        xFract="0.46935918"
                        y3="5.43098895"
                        yFract="0.66676871"
                        z3="11.74978689"
                        zFract="0.58748934"/>
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                        id="a55"
                        x3="7.59718439"
                        xFract="0.47308299"
                        y3="5.45196356"
                        yFract="0.66934379"
                        z3="9.98491952"
                        zFract="0.49924598"/>
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                        id="a56"
                        x3="8.71994892"
                        xFract="0.73192872"
                        y3="3.17992926"
                        yFract="0.39040354"
                        z3="11.75326629"
                        zFract="0.58766331"/>
                  <atom elementType="H"
                        id="a57"
                        x3="9.6957512"
                        xFract="0.76028832"
                        y3="4.40807713"
                        yFract="0.54118466"
                        z3="10.90570448"
                        zFract="0.54528522"/>
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                        id="a58"
                        x3="8.76469284"
                        xFract="0.73477614"
                        y3="3.21104213"
                        yFract="0.39422331"
                        z3="9.97676325"
                        zFract="0.49883816"/>
                  <atom elementType="C"
                        id="a59"
                        x3="4.99742477"
                        xFract="0.22748443"
                        y3="4.94996453"
                        yFract="0.60771279"
                        z3="10.8165418"
                        zFract="0.54082709"/>
                  <atom elementType="C"
                        id="a60"
                        x3="6.20973528"
                        xFract="0.41340339"
                        y3="4.02104008"
                        yFract="0.49366768"
                        z3="10.80862187"
                        zFract="0.54043109"/>
                  <atom elementType="C"
                        id="a61"
                        x3="7.53743403"
                        xFract="0.50807935"
                        y3="4.77836566"
                        yFract="0.5866454"
                        z3="10.85980352"
                        zFract="0.54299018"/>
                  <atom elementType="C"
                        id="a62"
                        x3="8.74910706"
                        xFract="0.69402869"
                        y3="3.84784215"
                        yFract="0.47240397"
                        z3="10.87763766"
                        zFract="0.54388188"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a16" 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 a18" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a15" 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 a23" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a25" 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 a20" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a15 a19" 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 a27" 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 a34" 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 a26" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a43" 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 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 a59" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a60" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a61" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a62" order="S"/>
                  <bond atomRefs2="a57 a62" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a59 a60" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
                  <bond atomRefs2="a61 a62" order="S"/>
               </bondArray>
               <formula concise="C4H10Zn48">
                  <atomArray count="4 10 48" elementType="C H Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3187.6748000000025</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
