<?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">2022-04-04T22:01:56.000</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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                        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"/>
                  <atom elementType="Zn"
                        id="a8"
                        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"/>
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                        id="a12"
                        x3="10.18908494"
                        xFract="0.66666667"
                        y3="6.7876972"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
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                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.3535068"
                        zFract="0.11767534"/>
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                        id="a14"
                        x3="2.35132734"
                        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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                        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="10.18105577"
                        xFract="0.99873721"
                        y3="1.36420399"
                        yFract="0.16748488"
                        z3="4.73892"
                        zFract="0.236946"/>
                  <atom elementType="Zn"
                        id="a26"
                        x3="7.841423"
                        xFract="0.3339194"
                        y3="8.14203795"
                        yFract="0.99960729"
                        z3="4.7374254"
                        zFract="0.23687127"/>
                  <atom elementType="Zn"
                        id="a27"
                        x3="3.13748407"
                        xFract="0.1662266"
                        y3="2.72637183"
                        yFract="0.33471978"
                        z3="4.7312838"
                        zFract="0.23656419"/>
                  <atom elementType="Zn"
                        id="a28"
                        x3="5.49137774"
                        xFract="0.50022287"
                        y3="1.36247793"
                        yFract="0.16727297"
                        z3="4.7260764"
                        zFract="0.23630382"/>
                  <atom elementType="Zn"
                        id="a29"
                        x3="7.84030273"
                        xFract="0.8326908"
                        y3="0.0148754"
                        yFract="0.00182627"
                        z3="4.7421748"
                        zFract="0.23710874"/>
                  <atom elementType="Zn"
                        id="a30"
                        x3="7.82888727"
                        xFract="0.66482138"
                        y3="2.72977556"
                        yFract="0.33513766"
                        z3="4.7512138"
                        zFract="0.23756069"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="3.13914825"
                        xFract="0.0003896"
                        y3="5.43081749"
                        yFract="0.66674766"
                        z3="4.7318272"
                        zFract="0.23659136"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="5.50200287"
                        xFract="0.33441287"
                        y3="4.08200458"
                        yFract="0.50115236"
                        z3="4.7581406"
                        zFract="0.23790703"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="5.48849365"
                        xFract="0.16652157"
                        y3="6.79363467"
                        yFract="0.83406228"
                        z3="4.7312744"
                        zFract="0.23656372"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.82474103"
                        xFract="0.49902038"
                        y3="5.42357083"
                        yFract="0.66585798"
                        z3="4.7538746"
                        zFract="0.23769373"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.18454895"
                        xFract="0.8327468"
                        y3="4.0743167"
                        yFract="0.50020851"
                        z3="4.7294472"
                        zFract="0.23647236"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="10.18251322"
                        xFract="0.66562552"
                        y3="6.79327546"
                        yFract="0.83401818"
                        z3="4.7345496"
                        zFract="0.23672748"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="9.40457546"
                        xFract="0.99928312"
                        y3="0.01040749"
                        yFract="0.00127774"
                        z3="7.1331964"
                        zFract="0.35665982"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.34876416"
                        xFract="0.16575184"
                        y3="1.36800292"
                        yFract="0.16795128"
                        z3="7.13069"
                        zFract="0.3565345"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.70477252"
                        xFract="0.33306445"
                        y3="2.7231275"
                        yFract="0.33432147"
                        z3="7.0822462"
                        zFract="0.35411231"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.69991792"
                        xFract="0.49864051"
                        y3="0.0174067"
                        yFract="0.00213704"
                        z3="7.133187"
                        zFract="0.35665935"/>
                  <atom elementType="Zn"
                        id="a41"
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                        xFract="0.66494503"
                        y3="1.37908721"
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                        xFract="0.830859"
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                        yFract="0.33526504"
                        z3="7.1237666"
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                        x3="11.7459342"
                        xFract="0.99805642"
                        y3="4.08574332"
                        yFract="0.50161137"
                        z3="7.1206064"
                        zFract="0.35603032"/>
                  <atom elementType="Zn"
                        id="a44"
                        x3="4.70129161"
                        xFract="0.16574883"
                        y3="5.44274904"
                        yFract="0.66821251"
                        z3="7.121133"
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                  <atom elementType="Zn"
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                        y3="6.79322276"
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                  <atom elementType="Zn"
                        id="a46"
                        x3="7.03950245"
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                        yFract="0.50217291"
                        z3="7.4287454"
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                        y3="1.16591667"
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                  <atom elementType="H"
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                  <bond atomRefs2="a4 a5" order="S"/>
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                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
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                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a42" 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 a44" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 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 a63" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
               </bondArray>
               <formula concise="C4H10OZn48">
                  <atomArray count="4 10 1 48" elementType="C H O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3203.6742000000027</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 Zn 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Zn H C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">65.39 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">-22.7713 -16.2288 -14.1849 -12.5920 -11.2075 -10.1745 -9.2372 -8.8433 -8.7877 -8.5527 -8.4993 -8.4716 -8.4706 -8.4656 -8.4336 -8.4329 -8.4314 -8.3519 -8.3493 -8.3449 -8.3381 -8.3378 -8.3356 -8.3304 -8.3299 -8.3227 -8.1483 -8.1420 -8.1406 -8.1282 -8.1260 -8.1251 -8.1242 -8.1231 -8.1184 -8.1172 -8.1160 -8.1076 -8.1070 -8.1050 -8.0729 -8.0723 -8.0702 -8.0700 -8.0697 -8.0691 -8.0667 -8.0630 -8.0604 -8.0513 -8.0463 -8.0439 -8.0388 -8.0376 -8.0335 -8.0259 -8.0250 -8.0243 -8.0209 -7.9812 -7.9795 -7.9789 -7.9741 -7.9699 -7.9658 -7.9382 -7.9143 -7.9140 -7.8996 -7.8983 -7.8947 -7.8845 -7.8839 -7.8821 -7.8817 -7.8810 -7.8800 -7.8769 -7.8757 -7.8706 -7.8675 -7.8669 -7.8667 -7.8636 -7.8613 -7.8580 -7.8532 -7.8500 -7.8434 -7.8422 -7.8014 -7.8011 -7.7595 -7.7592 -7.7146 -7.7135 -7.7106 -7.7087 -7.7053 -7.7046 -7.7045 -7.7019 -7.7004 -7.6782 -7.6763 -7.6741 -7.6722 -7.6719 -7.6667 -7.6666 -7.6651 -7.6643 -7.6623 -7.6616 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                        y3="6.78769722"
                        yFract="0.83333333"
                        z3="2.35350684"
                        zFract="0.11767534"/>
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                        id="a25"
                        x3="10.18135353"
                        xFract="0.99884118"
                        y3="1.36302592"
                        yFract="0.16734025"
                        z3="4.73805176"
                        zFract="0.23690259"/>
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                        x3="7.83913809"
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                        y3="8.13989217"
                        yFract="0.99934385"
                        z3="4.73714536"
                        zFract="0.23685727"/>
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                        id="a27"
                        x3="3.13586728"
                        xFract="0.16616535"
                        y3="2.72456931"
                        yFract="0.33449848"
                        z3="4.73360893"
                        zFract="0.23668045"/>
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                        id="a28"
                        x3="5.49097193"
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                        y3="1.35973884"
                        yFract="0.16693669"
                        z3="4.72932883"
                        zFract="0.23646644"/>
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                        x3="7.83959709"
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                        y3="0.01414018"
                        yFract="0.00173601"
                        z3="4.74135146"
                        zFract="0.23706757"/>
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                        x3="7.82915037"
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                        y3="2.72961211"
                        yFract="0.33511759"
                        z3="4.7485215"
                        zFract="0.23742608"/>
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                        y3="5.4300821"
                        yFract="0.66665738"
                        z3="4.73292941"
                        zFract="0.23664647"/>
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                        y3="4.08251683"
                        yFract="0.50121525"
                        z3="4.75279309"
                        zFract="0.23763965"/>
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                        y3="6.79300857"
                        yFract="0.83398541"
                        z3="4.73193637"
                        zFract="0.23659682"/>
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                        y3="5.42362714"
                        yFract="0.66586489"
                        z3="4.75074534"
                        zFract="0.23753727"/>
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                        y3="4.07486621"
                        yFract="0.50027597"
                        z3="4.73081647"
                        zFract="0.23654082"/>
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                        y3="6.79179918"
                        yFract="0.83383694"
                        z3="4.73521034"
                        zFract="0.23676052"/>
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                        y3="0.01110082"
                        yFract="0.00136286"
                        z3="7.13465345"
                        zFract="0.35673267"/>
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                        y3="1.36803467"
                        yFract="0.16795518"
                        z3="7.13162711"
                        zFract="0.35658136"/>
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                        y3="2.72433513"
                        yFract="0.33446973"
                        z3="7.07705021"
                        zFract="0.35385251"/>
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                        y3="0.01592791"
                        yFract="0.00195549"
                        z3="7.13335185"
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                        y3="2.72848166"
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                        z3="7.11943914"
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                        y3="4.08767916"
                        yFract="0.50184904"
                        z3="7.12382756"
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                        y3="5.44451162"
                        yFract="0.6684289"
                        z3="7.12520183"
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                        y3="6.79488137"
                        yFract="0.83421534"
                        z3="7.13372023"
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                        y3="4.09060036"
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                        z3="7.39163372"
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                        y3="5.43813011"
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                        y3="6.79728864"
                        yFract="0.83451088"
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                        yFract="0.23243364"
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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="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
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                  <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 a11" order="S"/>
                  <bond atomRefs2="a6 a18" 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 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 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 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a28" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a18 a35" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
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                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a31" 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="a21 a33" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a42" 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 a44" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a37 a41" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a49 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 a63" order="S"/>
                  <bond atomRefs2="a62 a63" order="S"/>
               </bondArray>
               <formula concise="C4H10OZn48">
                  <atomArray count="4 10 1 48" elementType="C H O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3203.6742000000027</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
