<?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">2022-04-07T23:40:23.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.405309165</scalar>
                  <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>
               <atomArray>
                  <atom elementType="Zn"
                        id="a1"
                        x3="0.78377578"
                        xFract="0.0000"
                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        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"/>
                  <atom elementType="Zn"
                        id="a4"
                        x3="5.48643036"
                        xFract="0.5000"
                        y3="1.35753947"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a5"
                        x3="7.83775761"
                        xFract="0.83333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a6"
                        x3="7.83775765"
                        xFract="0.66666667"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a7"
                        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"/>
                  <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"/>
                  <atom elementType="Zn"
                        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"/>
                  <atom elementType="Zn"
                        id="a15"
                        x3="4.70265454"
                        xFract="0.33333333"
                        y3="2.71507886"
                        yFract="0.33333333"
                        z3="2.3535068"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a16"
                        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="10.18275009"
                        xFract="0.99935448"
                        y3="1.35708301"
                        yFract="0.16661063"
                        z3="4.7355938"
                        zFract="0.23677969"/>
                  <atom elementType="Zn"
                        id="a26"
                        x3="7.84176596"
                        xFract="0.3342313"
                        y3="8.13755098"
                        yFract="0.99905642"
                        z3="4.73637"
                        zFract="0.2368185"/>
                  <atom elementType="Zn"
                        id="a27"
                        x3="3.13893531"
                        xFract="0.16668342"
                        y3="2.72144363"
                        yFract="0.33411474"
                        z3="4.7333294"
                        zFract="0.23666647"/>
                  <atom elementType="Zn"
                        id="a28"
                        x3="5.48983048"
                        xFract="0.50034754"
                        y3="1.35776705"
                        yFract="0.16669461"
                        z3="4.7349596"
                        zFract="0.23674798"/>
                  <atom elementType="Zn"
                        id="a29"
                        x3="7.84221342"
                        xFract="0.83334761"
                        y3="0.00748507"
                        yFract="0.00091895"
                        z3="4.737292"
                        zFract="0.2368646"/>
                  <atom elementType="Zn"
                        id="a30"
                        x3="7.83404477"
                        xFract="0.66575776"
                        y3="2.72345453"
                        yFract="0.33436162"
                        z3="4.7419836"
                        zFract="0.23709918"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="3.14071795"
                        xFract="0.00097283"
                        y3="5.42403519"
                        yFract="0.66591499"
                        z3="4.7361556"
                        zFract="0.23680778"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="5.49735595"
                        xFract="0.33428755"
                        y3="4.07599738"
                        yFract="0.50041485"
                        z3="4.7471552"
                        zFract="0.23735776"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="5.48898588"
                        xFract="0.16704306"
                        y3="6.78599191"
                        yFract="0.83312397"
                        z3="4.7328764"
                        zFract="0.23664382"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.8322523"
                        xFract="0.4998609"
                        y3="5.42288826"
                        yFract="0.66577418"
                        z3="4.748546"
                        zFract="0.2374273"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.18997854"
                        xFract="0.83342975"
                        y3="4.07259545"
                        yFract="0.49999719"
                        z3="4.7365394"
                        zFract="0.23682697"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="10.18313975"
                        xFract="0.66595922"
                        y3="6.78892452"
                        yFract="0.83348401"
                        z3="4.7334902"
                        zFract="0.23667451"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="0.00299418"
                        xFract="0.00012853"
                        y3="0.00309226"
                        yFract="0.00037964"
                        z3="7.1355308"
                        zFract="0.35677654"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.35315234"
                        xFract="0.16672941"
                        y3="1.35967841"
                        yFract="0.16692927"
                        z3="7.1263698"
                        zFract="0.35631849"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.70674505"
                        xFract="0.33312213"
                        y3="2.72560438"
                        yFract="0.33462556"
                        z3="7.1113664"
                        zFract="0.35556832"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.70607812"
                        xFract="0.50022117"
                        y3="0.00232677"
                        yFract="0.00028566"
                        z3="7.1324398"
                        zFract="0.35662199"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="7.05841892"
                        xFract="0.66654392"
                        y3="1.36722424"
                        yFract="0.16785568"
                        z3="7.1238108"
                        zFract="0.35619054"/>
                  <atom elementType="Zn"
                        id="a42"
                        x3="9.4016497"
                        xFract="0.83282203"
                        y3="2.71706988"
                        yFract="0.33357777"
                        z3="7.1180252"
                        zFract="0.35590126"/>
                  <atom elementType="Zn"
                        id="a43"
                        x3="2.35663932"
                        xFract="0.00024147"
                        y3="4.07788537"
                        yFract="0.50064664"
                        z3="7.130454"
                        zFract="0.3565227"/>
                  <atom elementType="Zn"
                        id="a44"
                        x3="4.70767189"
                        xFract="0.16714036"
                        y3="5.43113132"
                        yFract="0.66678619"
                        z3="7.1329548"
                        zFract="0.35664774"/>
                  <atom elementType="Zn"
                        id="a45"
                        x3="7.05731366"
                        xFract="0.33364514"
                        y3="6.78838856"
                        yFract="0.83341821"
                        z3="7.1329756"
                        zFract="0.35664878"/>
                  <atom elementType="Zn"
                        id="a46"
                        x3="7.05416603"
                        xFract="0.49950807"
                        y3="4.08095107"
                        yFract="0.50102302"
                        z3="7.3331796"
                        zFract="0.36665898"/>
                  <atom elementType="Zn"
                        id="a47"
                        x3="9.40033155"
                        xFract="0.66586914"
                        y3="5.43452838"
                        yFract="0.66720325"
                        z3="7.11481"
                        zFract="0.3557405"/>
                  <atom elementType="Zn"
                        id="a48"
                        x3="11.75920166"
                        xFract="0.83345492"
                        y3="6.79015958"
                        yFract="0.83363564"
                        z3="7.1270738"
                        zFract="0.35635369"/>
                  <atom elementType="H"
                        id="a49"
                        x3="10.46438789"
                        xFract="0.84806976"
                        y3="4.30939368"
                        yFract="0.52906918"
                        z3="11.5351236"
                        zFract="0.57675618"/>
                  <atom elementType="H"
                        id="a50"
                        x3="9.14686881"
                        xFract="0.64009562"
                        y3="5.41538088"
                        yFract="0.66485249"
                        z3="10.9788572"
                        zFract="0.54894286"/>
                  <atom elementType="H"
                        id="a51"
                        x3="9.80653373"
                        xFract="0.78610515"
                        y3="4.17938968"
                        yFract="0.51310844"
                        z3="9.857507"
                        zFract="0.49287535"/>
                  <atom elementType="H"
                        id="a52"
                        x3="4.82933568"
                        xFract="0.41182027"
                        y3="1.65590764"
                        yFract="0.20329767"
                        z3="11.5619808"
                        zFract="0.57809904"/>
                  <atom elementType="H"
                        id="a53"
                        x3="5.3437395"
                        xFract="0.44211635"
                        y3="2.05334371"
                        yFract="0.25209135"
                        z3="9.8775742"
                        zFract="0.49387871"/>
                  <atom elementType="H"
                        id="a54"
                        x3="4.81708926"
                        xFract="0.30536212"
                        y3="3.36894987"
                        yFract="0.41360982"
                        z3="10.979411"
                        zFract="0.54897055"/>
                  <atom elementType="C"
                        id="a55"
                        x3="7.42364255"
                        xFract="0.57760049"
                        y3="3.44874069"
                        yFract="0.42340583"
                        z3="10.8599962"
                        zFract="0.54299981"/>
                  <atom elementType="C"
                        id="a56"
                        x3="9.57060611"
                        xFract="0.747215"
                        y3="4.40429001"
                        yFract="0.54071971"
                        z3="10.909135"
                        zFract="0.54545675"/>
                  <atom elementType="C"
                        id="a57"
                        x3="5.32465721"
                        xFract="0.41907223"
                        y3="2.39569183"
                        yFract="0.29412182"
                        z3="10.9241122"
                        zFract="0.54620561"/>
                  <atom elementType="O"
                        id="a58"
                        x3="7.06060349"
                        xFract="0.49227837"
                        y3="4.20987632"
                        yFract="0.51685132"
                        z3="9.9669948"
                        zFract="0.49834974"/>
                  <atom elementType="O"
                        id="a59"
                        x3="8.63735904"
                        xFract="0.70786083"
                        y3="3.42895673"
                        yFract="0.42097693"
                        z3="11.4335996"
                        zFract="0.57167998"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.67242771"
                        xFract="0.55598047"
                        y3="2.49979879"
                        yFract="0.30690315"
                        z3="11.4417632"
                        zFract="0.57208816"/>
               </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 a8" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a6" 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 a8" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a21" 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 a22" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a16" 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="a17 a28" 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 a22" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a30" 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 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" 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 a41" 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 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="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a40" 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 a56" order="S"/>
                  <bond atomRefs2="a50 a56" order="S"/>
                  <bond atomRefs2="a51 a56" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a57" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a60" order="S"/>
               </bondArray>
               <formula concise="C3H6O3Zn48">
                  <atomArray count="3 6 3 48" elementType="C H O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3223.662300000003</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">612.0000</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 6 3 3</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">-25.4592 -23.2563 -22.2752 -15.5713 -13.9128 -11.0130 -10.2245 -10.1440 -9.2942 -9.1655 -8.9111 -8.6012 -8.5608 -8.5193 -8.5193 -8.5154 -8.4820 -8.4817 -8.4801 -8.3973 -8.3969 -8.3917 -8.3883 -8.3880 -8.3875 -8.3796 -8.3794 -8.3751 -8.1948 -8.1913 -8.1907 -8.1737 -8.1735 -8.1728 -8.1718 -8.1711 -8.1664 -8.1655 -8.1654 -8.1578 -8.1574 -8.1567 -8.1207 -8.1206 -8.1185 -8.1182 -8.1180 -8.1179 -8.1149 -8.1133 -8.1119 -8.0936 -8.0931 -8.0915 -8.0875 -8.0864 -8.0824 -8.0758 -8.0747 -8.0740 -8.0722 -8.0276 -8.0269 -8.0244 -8.0230 -8.0197 -8.0131 -7.9629 -7.9625 -7.9469 -7.9464 -7.9435 -7.9325 -7.9320 -7.9306 -7.9304 -7.9299 -7.9291 -7.9239 -7.9230 -7.9173 -7.9167 -7.9155 -7.9151 -7.9129 -7.9108 -7.9095 -7.9088 -7.9012 -7.8931 -7.8918 -7.8736 -7.8501 -7.8500 -7.8084 -7.8082 -7.7618 -7.7611 -7.7594 -7.7528 -7.7524 -7.7511 -7.7506 -7.7496 -7.7490 -7.7455 -7.7220 -7.7204 -7.7158 -7.7145 -7.7137 -7.7130 -7.7120 -7.7113 -7.7112 -7.7103 -7.7023 -7.7020 -7.7011 -7.6974 -7.6952 -7.6934 -7.6854 -7.6791 -7.6782 -7.6622 -7.6593 -7.6587 -7.6574 -7.6561 -7.6531 -7.6528 -7.6330 -7.6244 -7.6235 -7.6215 -7.6206 -7.6184 -7.6116 -7.6114 -7.6043 -7.6041 -7.6010 -7.5990 -7.5985 -7.5962 -7.5933 -7.5864 -7.5591 -7.5587 -7.5210 -7.5202 -7.5181 -7.5174 -7.5170 -7.5138 -7.5136 -7.5051 -7.5028 -7.4933 -7.4903 -7.4882 -7.4876 -7.4868 -7.4861 -7.4848 -7.4843 -7.4827 -7.4596 -7.4595 -7.4497 -7.4493 -7.4242 -7.4238 -7.3977 -7.3971 -7.3963 -7.3925 -7.3919 -7.3828 -7.3479 -7.3353 -7.3347 -7.3328 -7.3323 -7.2989 -7.2985 -7.2975 -7.2965 -7.2964 -7.2949 -7.2707 -7.2685 -7.2671 -7.2662 -7.2633 -7.2628 -7.2627 -7.2588 -7.2575 -7.2552 -7.2549 -7.2491 -7.2486 -7.2410 -7.2394 -7.2381 -7.2373 -7.2364 -7.2319 -7.2050 -7.2022 -7.1993 -7.1989 -7.1984 -7.1978 -7.1897 -7.1896 -7.1850 -7.1848 -7.1839 -7.1834 -7.1809 -7.1799 -7.1790 -7.1776 -7.1772 -7.1754 -7.1733 -7.1682 -7.1667 -7.1646 -7.1572 -7.1557 -7.1516 -7.1515 -7.1485 -7.1478 -7.1476 -7.1451 -7.1344 -7.1319 -7.1292 -7.1286 -7.1178 -7.1169 -7.1150 -7.1036 -6.8956 -6.8945 -6.8936 -6.8723 -6.8690 -6.8663 -6.8400 -6.8396 -6.8355 -6.8353 -6.8345 -6.8343 -6.7328 -6.4616 -6.1601 -6.1590 -6.1572 -6.1525 -6.1485 -6.1114 -5.8035 -5.3815 -4.7216 -4.6458 -4.6376 -4.6335 -4.6315 -4.6092 -4.5063 -4.1776 -3.9850 -3.6462 -2.8851 -2.8822 -2.8804 -2.5070 -2.4946 -2.4900 -2.4866 -2.4785 -2.4628 -2.4583 -2.4569 -2.4372 -2.2953 -1.8825 -1.8639 -1.8623 -1.6812 -1.6796 -1.6777 -0.2888 -0.2868 -0.2549 -0.2541 0.0479 0.0491 0.3067 0.3078 0.3255 0.3874 0.3956 0.4085 0.4152 0.4175 0.4378 0.4420 0.4421 0.5076 0.7009 0.7131 0.7485 0.7518 0.9410 1.1209 1.1224 1.8299 1.8322 1.8454 2.3274 2.3931 2.4103 2.4668 2.4705 2.4842 2.4854 2.5096 2.5971 2.6004 2.8493 2.9394 3.0276 3.0713 3.1394 3.1506 3.2492 3.7432 3.7696 4.0733 4.2026 4.2094 4.2703 4.3124 4.4014 4.4103 4.4396 4.4903 4.4963 4.5069 4.5916 4.7324 4.8413 4.9987 5.4761 5.5145 5.5986 5.6634 5.8205 5.8817 5.9362 5.9688 6.0944 6.1384 6.2269 -25.4593 -23.2563 -22.2752 -15.5705 -13.9150 -11.0100 -10.1444 -9.9669 -9.2472 -9.1896 -9.0397 -8.9037 -8.7074 -8.7001 -8.4895 -8.4752 -8.4717 -8.4694 -8.4344 -8.4321 -8.4272 -8.4233 -8.3914 -8.3548 -8.3534 -8.3360 -8.3356 -8.3296 -8.3200 -8.3148 -8.2989 -8.2947 -8.2569 -8.2511 -8.2270 -8.2268 -8.2191 -8.2122 -8.2078 -8.2007 -8.1942 -8.1853 -8.1719 -8.1538 -8.1524 -8.1456 -8.1363 -8.1334 -8.1302 -8.1288 -8.1243 -8.0942 -8.0917 -8.0829 -8.0787 -8.0770 -8.0697 -8.0641 -8.0617 -8.0432 -8.0422 -8.0353 -8.0322 -8.0243 -8.0115 -8.0074 -8.0034 -7.9967 -7.9879 -7.9831 -7.9785 -7.9344 -7.9335 -7.9310 -7.9156 -7.9143 -7.9107 -7.9066 -7.9041 -7.9020 -7.9001 -7.8982 -7.8950 -7.8926 -7.8915 -7.8855 -7.8736 -7.8718 -7.8667 -7.8600 -7.8417 -7.8402 -7.8322 -7.8153 -7.8126 -7.8100 -7.8054 -7.7941 -7.7761 -7.7631 -7.7583 -7.7573 -7.7538 -7.7523 -7.7491 -7.7468 -7.7453 -7.7428 -7.7409 -7.7379 -7.7370 -7.7306 -7.7288 -7.7271 -7.7264 -7.6958 -7.6946 -7.6895 -7.6842 -7.6802 -7.6780 -7.6621 -7.6540 -7.6367 -7.6355 -7.6300 -7.6251 -7.6228 -7.6192 -7.6187 -7.6175 -7.6163 -7.6024 -7.5955 -7.5942 -7.5863 -7.5825 -7.5808 -7.5782 -7.5718 -7.5662 -7.5643 -7.5594 -7.5568 -7.5507 -7.5299 -7.5264 -7.5229 -7.5202 -7.5179 -7.5158 -7.5144 -7.5042 -7.5007 -7.4955 -7.4916 -7.4889 -7.4856 -7.4809 -7.4780 -7.4754 -7.4725 -7.4677 -7.4621 -7.4564 -7.4439 -7.4285 -7.4273 -7.4206 -7.4164 -7.4108 -7.4019 -7.3995 -7.3964 -7.3890 -7.3847 -7.3827 -7.3816 -7.3792 -7.3781 -7.3689 -7.3615 -7.3571 -7.3525 -7.3484 -7.3337 -7.3277 -7.3254 -7.3212 -7.3196 -7.3164 -7.3144 -7.3127 -7.3109 -7.3086 -7.3058 -7.3019 -7.3007 -7.2916 -7.2865 -7.2822 -7.2746 -7.2722 -7.2714 -7.2552 -7.2531 -7.2405 -7.2283 -7.2259 -7.2252 -7.2170 -7.2147 -7.2120 -7.2088 -7.2073 -7.2029 -7.1973 -7.1954 -7.1947 -7.1936 -7.1904 -7.1892 -7.1879 -7.1853 -7.1824 -7.1812 -7.1776 -7.1757 -7.1744 -7.1714 -7.1703 -7.1665 -7.1622 -7.1595 -7.1582 -7.1569 -7.1544 -7.1536 -7.1506 -7.1445 -7.1378 -7.1299 -7.1265 -7.1224 -7.1045 -7.1021 -7.0964 -7.0910 -7.0734 -7.0667 -7.0543 -7.0250 -6.9989 -6.9716 -6.9670 -6.9667 -6.9429 -6.9375 -6.6449 -6.6341 -6.4761 -6.4394 -6.1202 -6.1115 -5.8388 -5.7762 -5.4009 -5.3231 -5.2186 -5.1973 -5.1401 -5.1172 -4.6995 -4.6892 -4.4569 -4.3666 -4.1606 -3.9964 -3.7570 -3.7191 -3.6866 -3.6355 -3.5959 -3.5553 -3.0102 -2.9550 -2.9405 -2.8283 -2.5220 -2.2044 -2.1997 -2.1844 -2.0121 -1.9713 -1.5630 -1.5558 -1.5429 -1.5141 -1.4435 -1.3688 -1.0248 -0.7956 -0.5553 -0.5492 -0.5425 -0.5023 -0.4937 -0.1606 -0.1253 0.5496 0.6395 0.6612 0.6669 1.1257 1.1740 1.2688 1.2788 1.3142 1.3287 1.4801 1.5123 1.8525 1.9045 1.9133 2.1136 2.2758 2.5398 2.5601 2.5646 2.5862 2.6321 2.6413 2.7449 2.7980 2.8960 2.9508 3.1225 3.2119 3.2781 3.2896 3.2957 3.3951 3.4169 3.6386 3.8166 3.9185 3.9559 3.9915 4.1571 4.1724 4.1777 4.2023 4.2552 4.3546 4.3977 4.4286 4.5244 4.5345 4.6142 4.6582 4.7099 4.7809 4.8466 4.8934 5.0740 5.1734 5.3066 5.3250 5.4507 5.5484 5.6221 5.7765 -25.4593 -23.2563 -22.2752 -15.5711 -13.9135 -11.0122 -10.1441 -9.9669 -9.2476 -9.1892 -9.0396 -8.9046 -8.7074 -8.7000 -8.4895 -8.4751 -8.4717 -8.4693 -8.4344 -8.4319 -8.4272 -8.4232 -8.3914 -8.3550 -8.3534 -8.3360 -8.3356 -8.3296 -8.3200 -8.3147 -8.2990 -8.2945 -8.2568 -8.2511 -8.2270 -8.2269 -8.2192 -8.2122 -8.2083 -8.2009 -8.1942 -8.1852 -8.1720 -8.1538 -8.1524 -8.1456 -8.1365 -8.1332 -8.1302 -8.1288 -8.1242 -8.0943 -8.0918 -8.0829 -8.0789 -8.0774 -8.0692 -8.0642 -8.0616 -8.0434 -8.0423 -8.0352 -8.0320 -8.0245 -8.0114 -8.0075 -8.0034 -7.9969 -7.9879 -7.9830 -7.9784 -7.9343 -7.9335 -7.9309 -7.9149 -7.9145 -7.9109 -7.9064 -7.9043 -7.9023 -7.9000 -7.8982 -7.8953 -7.8924 -7.8917 -7.8855 -7.8738 -7.8719 -7.8668 -7.8599 -7.8417 -7.8403 -7.8324 -7.8150 -7.8122 -7.8101 -7.8052 -7.7939 -7.7763 -7.7635 -7.7580 -7.7568 -7.7538 -7.7520 -7.7488 -7.7472 -7.7453 -7.7430 -7.7412 -7.7381 -7.7371 -7.7305 -7.7286 -7.7272 -7.7260 -7.6961 -7.6948 -7.6901 -7.6844 -7.6797 -7.6778 -7.6626 -7.6542 -7.6366 -7.6355 -7.6299 -7.6251 -7.6225 -7.6193 -7.6187 -7.6174 -7.6158 -7.6025 -7.5956 -7.5943 -7.5864 -7.5828 -7.5807 -7.5783 -7.5718 -7.5663 -7.5642 -7.5595 -7.5568 -7.5508 -7.5300 -7.5266 -7.5228 -7.5202 -7.5180 -7.5160 -7.5144 -7.5044 -7.5009 -7.4956 -7.4918 -7.4889 -7.4858 -7.4810 -7.4777 -7.4756 -7.4722 -7.4680 -7.4621 -7.4563 -7.4438 -7.4282 -7.4276 -7.4210 -7.4165 -7.4108 -7.4013 -7.3994 -7.3966 -7.3887 -7.3847 -7.3828 -7.3814 -7.3790 -7.3781 -7.3689 -7.3619 -7.3567 -7.3508 -7.3464 -7.3332 -7.3276 -7.3253 -7.3212 -7.3195 -7.3165 -7.3145 -7.3125 -7.3109 -7.3088 -7.3057 -7.3022 -7.3004 -7.2919 -7.2862 -7.2820 -7.2744 -7.2726 -7.2712 -7.2552 -7.2531 -7.2407 -7.2282 -7.2263 -7.2251 -7.2172 -7.2151 -7.2117 -7.2086 -7.2070 -7.2030 -7.1977 -7.1954 -7.1947 -7.1935 -7.1902 -7.1892 -7.1881 -7.1852 -7.1825 -7.1812 -7.1776 -7.1758 -7.1745 -7.1714 -7.1707 -7.1667 -7.1620 -7.1594 -7.1580 -7.1570 -7.1546 -7.1535 -7.1507 -7.1442 -7.1373 -7.1302 -7.1265 -7.1227 -7.1046 -7.1021 -7.0964 -7.0907 -7.0732 -7.0668 -7.0543 -7.0243 -6.9989 -6.9716 -6.9671 -6.9665 -6.9431 -6.9373 -6.6453 -6.6371 -6.4766 -6.4360 -6.1201 -6.1117 -5.8335 -5.7846 -5.3999 -5.3234 -5.2186 -5.1976 -5.1368 -5.1158 -4.6993 -4.6894 -4.4632 -4.3639 -4.1557 -4.0015 -3.7549 -3.7151 -3.6902 -3.6346 -3.5933 -3.5611 -3.0103 -2.9527 -2.9422 -2.8286 -2.5215 -2.2038 -2.2009 -2.1854 -2.0118 -1.9716 -1.5617 -1.5570 -1.5425 -1.5145 -1.4439 -1.3666 -1.0250 -0.7954 -0.5559 -0.5492 -0.5422 -0.5015 -0.4941 -0.1587 -0.1277 0.5457 0.6429 0.6613 0.6676 1.1250 1.1749 1.2705 1.2769 1.3140 1.3283 1.4813 1.5111 1.8528 1.9026 1.9158 2.1147 2.2754 2.5390 2.5575 2.5639 2.5841 2.6314 2.6410 2.7495 2.7985 2.8954 2.9494 3.1222 3.2096 3.2798 3.2891 3.2977 3.4087 3.4401 3.5744 3.8158 3.9117 3.9553 3.9973 4.1553 4.1662 4.1882 4.2033 4.2549 4.3071 4.4011 4.4259 4.5302 4.5421 4.6208 4.6610 4.7082 4.7897 4.8804 4.9044 5.0286 5.1925 5.3132 5.3250 5.4326 5.5237 5.5907 5.7482 -25.4593 -23.2563 -22.2752 -15.5703 -13.9156 -11.0092 -10.1447 -9.9667 -9.2457 -9.1905 -9.0403 -8.9039 -8.7064 -8.7006 -8.4897 -8.4757 -8.4717 -8.4695 -8.4339 -8.4327 -8.4269 -8.4234 -8.3915 -8.3549 -8.3534 -8.3362 -8.3357 -8.3294 -8.3183 -8.3166 -8.2980 -8.2952 -8.2569 -8.2510 -8.2270 -8.2267 -8.2194 -8.2123 -8.2067 -8.2015 -8.1942 -8.1852 -8.1720 -8.1537 -8.1525 -8.1455 -8.1367 -8.1331 -8.1302 -8.1290 -8.1246 -8.0941 -8.0917 -8.0822 -8.0795 -8.0746 -8.0718 -8.0636 -8.0630 -8.0432 -8.0415 -8.0355 -8.0327 -8.0237 -8.0097 -8.0077 -8.0036 -7.9966 -7.9881 -7.9835 -7.9783 -7.9342 -7.9339 -7.9315 -7.9173 -7.9144 -7.9103 -7.9074 -7.9034 -7.9023 -7.8990 -7.8986 -7.8959 -7.8922 -7.8877 -7.8871 -7.8759 -7.8734 -7.8667 -7.8554 -7.8416 -7.8392 -7.8320 -7.8171 -7.8113 -7.8098 -7.8049 -7.7938 -7.7753 -7.7631 -7.7584 -7.7565 -7.7535 -7.7522 -7.7482 -7.7469 -7.7443 -7.7420 -7.7407 -7.7385 -7.7379 -7.7319 -7.7295 -7.7276 -7.7263 -7.6960 -7.6948 -7.6892 -7.6830 -7.6791 -7.6778 -7.6649 -7.6559 -7.6372 -7.6342 -7.6309 -7.6249 -7.6223 -7.6201 -7.6187 -7.6175 -7.6143 -7.6030 -7.5953 -7.5930 -7.5861 -7.5824 -7.5812 -7.5773 -7.5726 -7.5661 -7.5644 -7.5591 -7.5562 -7.5525 -7.5288 -7.5271 -7.5236 -7.5210 -7.5185 -7.5161 -7.5142 -7.5032 -7.4998 -7.4974 -7.4917 -7.4885 -7.4857 -7.4816 -7.4778 -7.4762 -7.4724 -7.4684 -7.4612 -7.4571 -7.4437 -7.4290 -7.4271 -7.4207 -7.4170 -7.4113 -7.4001 -7.3996 -7.3988 -7.3887 -7.3848 -7.3833 -7.3819 -7.3787 -7.3777 -7.3671 -7.3605 -7.3586 -7.3528 -7.3485 -7.3326 -7.3290 -7.3254 -7.3232 -7.3182 -7.3165 -7.3148 -7.3125 -7.3107 -7.3084 -7.3058 -7.3033 -7.2997 -7.2918 -7.2853 -7.2812 -7.2737 -7.2733 -7.2715 -7.2552 -7.2538 -7.2402 -7.2275 -7.2272 -7.2241 -7.2169 -7.2148 -7.2123 -7.2087 -7.2067 -7.2034 -7.1970 -7.1961 -7.1948 -7.1942 -7.1901 -7.1886 -7.1879 -7.1846 -7.1822 -7.1820 -7.1781 -7.1756 -7.1743 -7.1699 -7.1680 -7.1675 -7.1634 -7.1594 -7.1577 -7.1556 -7.1548 -7.1538 -7.1511 -7.1458 -7.1412 -7.1301 -7.1249 -7.1191 -7.1045 -7.1016 -7.0949 -7.0930 -7.0716 -7.0673 -7.0554 -7.0287 -6.9989 -6.9721 -6.9676 -6.9660 -6.9408 -6.9387 -6.6463 -6.6294 -6.4687 -6.4504 -6.1201 -6.1120 -5.8497 -5.7605 -5.3955 -5.3216 -5.2155 -5.1998 -5.1538 -5.1231 -4.6982 -4.6894 -4.4287 -4.3737 -4.1706 -4.0013 -3.7644 -3.7273 -3.6790 -3.6377 -3.6043 -3.5312 -3.0100 -2.9680 -2.9329 -2.8275 -2.5219 -2.2063 -2.1979 -2.1843 -2.0123 -1.9701 -1.5658 -1.5536 -1.5426 -1.5141 -1.4436 -1.3671 -1.0248 -0.7951 -0.5570 -0.5489 -0.5422 -0.5025 -0.4930 -0.1680 -0.1179 0.5451 0.6408 0.6611 0.6686 1.1269 1.1723 1.2685 1.2763 1.3168 1.3274 1.4767 1.5151 1.8530 1.8891 1.9157 2.1126 2.2801 2.5196 2.5469 2.5615 2.6200 2.6269 2.6501 2.7135 2.8222 2.9040 2.9633 3.1189 3.2032 3.2398 3.2811 3.2926 3.3125 3.4181 3.8125 3.8596 3.9050 3.9845 4.0609 4.0982 4.1661 4.1768 4.2037 4.2541 4.3433 4.4104 4.4366 4.5053 4.5249 4.5716 4.6434 4.7223 4.7806 4.8846 4.9069 5.0747 5.1818 5.2705 5.3797 5.4181 5.5786 5.6697 5.7655 -25.4593 -23.2564 -22.2752 -15.5703 -13.9156 -11.0093 -10.1445 -9.4810 -9.4802 -9.4698 -9.1840 -8.9182 -8.6518 -8.6479 -8.6223 -8.4784 -8.4760 -8.4754 -8.3912 -8.3910 -8.3905 -8.3309 -8.3295 -8.3231 -8.3104 -8.3091 -8.3087 -8.3054 -8.3052 -8.3012 -8.2839 -8.2822 -8.2818 -8.2790 -8.2772 -8.2768 -8.2668 -8.2666 -8.2663 -8.2443 -8.2439 -8.2422 -8.2412 -8.2366 -8.2357 -8.2231 -8.2203 -8.2070 -8.1273 -8.1266 -8.1263 -8.0939 -8.0936 -8.0897 -8.0795 -8.0787 -8.0783 -8.0772 -8.0760 -8.0647 -8.0105 -8.0099 -8.0081 -8.0065 -8.0055 -8.0051 -8.0022 -7.9949 -7.9935 -7.9511 -7.9498 -7.9468 -7.9457 -7.9431 -7.9427 -7.9425 -7.9342 -7.9312 -7.8959 -7.8946 -7.8907 -7.8843 -7.8798 -7.8759 -7.8745 -7.8739 -7.8734 -7.8730 -7.8718 -7.8704 -7.8670 -7.8625 -7.8600 -7.8527 -7.8225 -7.8214 -7.8192 -7.7576 -7.7559 -7.7553 -7.7538 -7.7488 -7.7480 -7.7268 -7.7264 -7.7255 -7.7181 -7.7103 -7.7100 -7.7067 -7.7060 -7.7051 -7.7048 -7.7034 -7.7029 -7.6934 -7.6920 -7.6919 -7.6697 -7.6688 -7.6676 -7.6658 -7.6634 -7.6629 -7.6616 -7.6612 -7.6611 -7.6568 -7.6546 -7.6527 -7.6463 -7.6194 -7.6184 -7.6181 -7.5787 -7.5740 -7.5728 -7.5717 -7.5659 -7.5656 -7.5542 -7.5512 -7.5510 -7.5367 -7.5354 -7.5337 -7.5329 -7.5261 -7.5260 -7.4852 -7.4844 -7.4811 -7.4807 -7.4802 -7.4794 -7.4747 -7.4687 -7.4679 -7.4433 -7.4390 -7.4387 -7.4373 -7.4311 -7.4307 -7.4122 -7.4110 -7.4031 -7.3864 -7.3859 -7.3850 -7.3847 -7.3837 -7.3827 -7.3785 -7.3775 -7.3767 -7.3747 -7.3726 -7.3687 -7.3513 -7.3355 -7.3342 -7.3339 -7.3325 -7.3316 -7.3313 -7.3299 -7.3294 -7.3278 -7.3265 -7.3197 -7.3195 -7.3046 -7.3012 -7.3007 -7.2983 -7.2981 -7.2961 -7.2817 -7.2811 -7.2791 -7.2788 -7.2780 -7.2779 -7.2734 -7.2720 -7.2706 -7.2696 -7.2678 -7.2656 -7.2653 -7.2633 -7.2630 -7.2536 -7.2534 -7.2526 -7.2447 -7.2428 -7.2308 -7.1952 -7.1939 -7.1936 -7.1864 -7.1859 -7.1827 -7.1797 -7.1793 -7.1784 -7.1739 -7.1701 -7.1696 -7.1654 -7.1643 -7.1642 -7.1477 -7.1422 -7.1412 -7.1269 -7.1265 -7.1020 -7.0739 -7.0736 -7.0730 -7.0724 -7.0722 -7.0693 -7.0681 -7.0680 -7.0677 -7.0501 -7.0474 -7.0468 -7.0446 -7.0426 -7.0398 -7.0323 -7.0273 -7.0262 -6.4844 -6.4664 -6.4657 -6.4419 -6.0480 -6.0357 -6.0167 -5.7896 -5.5400 -5.5328 -5.5269 -5.3666 -4.4159 -4.0998 -4.0926 -4.0918 -4.0873 -4.0850 -4.0757 -4.0533 -3.9340 -3.9241 -3.9123 -3.8375 -3.8185 -3.7329 -3.6089 -3.1211 -3.1189 -3.1167 -3.1022 -3.0945 -3.0790 -1.8327 -1.8248 -1.8148 -1.5980 -1.5960 -1.5931 -1.5902 -1.5861 -1.5854 -1.3584 -1.3553 -1.2797 0.0795 0.0817 0.0946 0.1001 0.1012 0.1094 1.0509 1.0536 1.0584 1.0616 1.0646 1.0660 1.1988 1.2116 1.2385 1.6276 1.6324 1.7311 1.7768 1.7792 1.7821 1.7933 1.7991 1.7996 2.7137 3.0294 3.0489 3.0500 3.0600 3.0781 3.0862 3.1000 3.1046 3.1124 3.1379 3.1644 3.2360 3.6452 3.6780 3.6943 3.7055 3.7158 3.7188 3.7339 3.7423 3.8987 4.1237 4.1744 4.2030 4.3307 4.3566 4.3733 4.4800 4.6988 4.8106 4.9722 4.9938 5.0406 5.0547 5.0678 5.0960 5.1273 5.1952 5.2062 5.2113 5.2267 5.2692 5.3455 5.6093</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="1860">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99998 1.99998 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.87040 0.06709 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.79969 0.08663 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.14660 0.02961 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="180"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="2"
                          units="nonsi2:ev.angstrom-1">-0.036077 -0.006515 -0.073288 0.026969 -0.031045 -0.074904 0.004466 0.040931 -0.074481 -0.002348 -0.017846 -0.066079 0.021801 0.030128 -0.072207 0.016554 -0.032214 -0.064709 0.009784 -0.041413 -0.074567 -0.031837 0.005575 -0.063233 -0.001484 0.006734 -0.070573 0.009796 0.031980 -0.063469 0.019419 -0.004898 -0.066972 -0.036343 0.015027 -0.075401 -0.003575 0.009416 0.088100 -0.001021 -0.004309 0.057827 -0.002965 0.009496 0.058907 -0.006902 -0.005931 0.088744 0.009901 -0.000315 0.059195 -0.003299 -0.009537 0.059748 0.007161 0.005226 0.088416 -0.009336 -0.009708 0.059763 0.012422 0.005290 0.059777 -0.001407 -0.000810 0.090336 -0.002622 0.009285 0.058672 0.000923 -0.002556 0.058623 -0.000429 0.001828 0.001054 0.002024 -0.001754 -0.000833 0.000498 0.002182 -0.000888 -0.001477 0.001768 -0.001690 -0.000013 -0.000612 0.001107 -0.002288 0.000439 0.002352 0.002614 0.000155 -0.002598 -0.001398 -0.003026 -0.001516 -0.000961 0.000848 0.002934 -0.000159 0.001107 -0.000579 0.001656 -0.001921 -0.003470 -0.000449 0.001323 -0.000209 0.002802 -0.002271 0.002259 0.002172 0.001569 0.001252 -0.000406 -0.005963 0.000564 -0.001746 0.003173 -0.001692 -0.001822 -0.002668 0.002578 0.002816 -0.001398 0.001344 -0.004278 0.000211 -0.001792 0.002257 0.005667 -0.000091 -0.003860 -0.000273 0.001551 0.001970 -0.000803 -0.017241 0.005628 -0.000100 0.000081 -0.002792 0.001645 0.001194 0.002177 -0.005466 0.000261 -0.007094 0.009347 -0.001779 -0.002352 0.002027 -0.000206 0.000657 -0.004444 0.004454 0.003760 0.006095 0.002192 0.002104 -0.004295 -0.001848 -0.005641 0.028364 -0.050326 -0.007591 -0.005224 0.000191 -0.016708 0.006863 -0.010399 0.002580 -0.016005 0.037671 0.018351 -0.006472 0.024496 0.007419 -0.013907 0.021398 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000</matrix>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-123.59567614</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-123.58269112</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-123.58918363</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-0.1641</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2588904E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.40530916470017</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">9.405309164700176</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Zn"
                        id="a1"
                        x3="0.78377576"
                        xFract="-0.0000"
                        y3="1.35753944"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a2"
                        x3="3.13510305"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a3"
                        x3="3.13510305"
                        xFract="0.16666667"
                        y3="2.71507889"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a4"
                        x3="5.48643035"
                        xFract="0.5000"
                        y3="1.35753944"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a5"
                        x3="7.83775764"
                        xFract="0.83333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a6"
                        x3="7.83775764"
                        xFract="0.66666667"
                        y3="2.71507889"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a7"
                        x3="3.13510305"
                        xFract="-0.0000"
                        y3="5.43015778"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a8"
                        x3="5.48643035"
                        xFract="0.33333333"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a9"
                        x3="5.48643035"
                        xFract="0.16666667"
                        y3="6.78769722"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a10"
                        x3="7.83775764"
                        xFract="0.5000"
                        y3="5.43015778"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a11"
                        x3="10.18908493"
                        xFract="0.83333333"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a12"
                        x3="10.18908493"
                        xFract="0.66666667"
                        y3="6.78769722"
                        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="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a14"
                        x3="2.35132729"
                        xFract="0.16666667"
                        y3="1.35753944"
                        yFract="0.16666667"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a15"
                        x3="4.70265458"
                        xFract="0.33333333"
                        y3="2.71507889"
                        yFract="0.33333333"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a16"
                        x3="4.70265458"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a17"
                        x3="7.05398187"
                        xFract="0.66666667"
                        y3="1.35753944"
                        yFract="0.16666667"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a18"
                        x3="9.40530916"
                        xFract="0.83333333"
                        y3="2.71507889"
                        yFract="0.33333333"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a19"
                        x3="2.35132729"
                        xFract="0.0000"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a20"
                        x3="4.70265458"
                        xFract="0.16666667"
                        y3="5.43015778"
                        yFract="0.66666667"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a21"
                        x3="7.05398187"
                        xFract="0.33333333"
                        y3="6.78769722"
                        yFract="0.83333333"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a22"
                        x3="7.05398187"
                        xFract="0.5000"
                        y3="4.07261833"
                        yFract="0.5000"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a23"
                        x3="9.40530916"
                        xFract="0.66666667"
                        y3="5.43015778"
                        yFract="0.66666667"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a24"
                        x3="11.75663646"
                        xFract="0.83333333"
                        y3="6.78769722"
                        yFract="0.83333333"
                        z3="2.35350684"
                        zFract="0.11767534"/>
                  <atom elementType="Zn"
                        id="a25"
                        x3="10.18273836"
                        xFract="0.9993501"
                        y3="1.35713408"
                        yFract="0.1666169"
                        z3="4.73562361"
                        zFract="0.23678118"/>
                  <atom elementType="Zn"
                        id="a26"
                        x3="7.84182154"
                        xFract="0.33424019"
                        y3="8.1375024"
                        yFract="0.99905046"
                        z3="4.73634603"
                        zFract="0.2368173"/>
                  <atom elementType="Zn"
                        id="a27"
                        x3="3.13894886"
                        xFract="0.16668115"
                        y3="2.72150415"
                        yFract="0.33412217"
                        z3="4.73330397"
                        zFract="0.2366652"/>
                  <atom elementType="Zn"
                        id="a28"
                        x3="5.48978912"
                        xFract="0.50034012"
                        y3="1.35781626"
                        yFract="0.16670065"
                        z3="4.73491088"
                        zFract="0.23674554"/>
                  <atom elementType="Zn"
                        id="a29"
                        x3="7.84221262"
                        xFract="0.83334855"
                        y3="0.0074683"
                        yFract="0.00091689"
                        z3="4.73732338"
                        zFract="0.23686617"/>
                  <atom elementType="Zn"
                        id="a30"
                        x3="7.83398091"
                        xFract="0.66575025"
                        y3="2.72346627"
                        yFract="0.33436306"
                        z3="4.74204908"
                        zFract="0.23710245"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="3.14079119"
                        xFract="0.0009803"
                        y3="5.42404034"
                        yFract="0.66591562"
                        z3="4.73608241"
                        zFract="0.23680412"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="5.49732272"
                        xFract="0.33428902"
                        y3="4.07591586"
                        yFract="0.50040484"
                        z3="4.74710838"
                        zFract="0.23735542"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="5.48895938"
                        xFract="0.16703874"
                        y3="6.78601633"
                        yFract="0.83312697"
                        z3="4.73295772"
                        zFract="0.23664789"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.83224791"
                        xFract="0.49985854"
                        y3="5.42291917"
                        yFract="0.66577797"
                        z3="4.74852919"
                        zFract="0.23742646"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.19002447"
                        xFract="0.83343791"
                        y3="4.07254213"
                        yFract="0.49999064"
                        z3="4.73644064"
                        zFract="0.23682203"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="10.18312825"
                        xFract="0.66595575"
                        y3="6.78896112"
                        yFract="0.8334885"
                        z3="4.73348373"
                        zFract="0.23667419"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="0.003072"
                        xFract="0.00014061"
                        y3="0.00303021"
                        yFract="0.00037202"
                        z3="7.13559317"
                        zFract="0.35677966"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.35321283"
                        xFract="0.16673316"
                        y3="1.35972205"
                        yFract="0.16693463"
                        z3="7.12640369"
                        zFract="0.35632018"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.70673354"
                        xFract="0.33313098"
                        y3="2.72544035"
                        yFract="0.33460542"
                        z3="7.11138239"
                        zFract="0.35556912"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="4.70602797"
                        xFract="0.50021046"
                        y3="0.00241439"
                        yFract="0.00029642"
                        z3="7.13239072"
                        zFract="0.35661954"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="7.05836909"
                        xFract="0.66654321"
                        y3="1.36714944"
                        yFract="0.1678465"
                        z3="7.12388245"
                        zFract="0.35619412"/>
                  <atom elementType="Zn"
                        id="a42"
                        x3="9.40172792"
                        xFract="0.83283279"
                        y3="2.71703009"
                        yFract="0.33357288"
                        z3="7.1180624"
                        zFract="0.35590312"/>
                  <atom elementType="Zn"
                        id="a43"
                        x3="2.35652156"
                        xFract="0.00022853"
                        y3="4.07789226"
                        yFract="0.50064749"
                        z3="7.13040187"
                        zFract="0.35652009"/>
                  <atom elementType="Zn"
                        id="a44"
                        x3="4.70773284"
                        xFract="0.16713729"
                        y3="5.43128694"
                        yFract="0.6668053"
                        z3="7.13295136"
                        zFract="0.35664757"/>
                  <atom elementType="Zn"
                        id="a45"
                        x3="7.05720811"
                        xFract="0.33363439"
                        y3="6.78838096"
                        yFract="0.83341728"
                        z3="7.13301836"
                        zFract="0.35665092"/>
                  <atom elementType="Zn"
                        id="a46"
                        x3="7.05422089"
                        xFract="0.49951523"
                        y3="4.08092946"
                        yFract="0.50102037"
                        z3="7.33268033"
                        zFract="0.36663402"/>
                  <atom elementType="Zn"
                        id="a47"
                        x3="9.40048766"
                        xFract="0.66588589"
                        y3="5.43452598"
                        yFract="0.66720296"
                        z3="7.11481177"
                        zFract="0.35574059"/>
                  <atom elementType="Zn"
                        id="a48"
                        x3="11.75912411"
                        xFract="0.83344386"
                        y3="6.7902054"
                        yFract="0.83364126"
                        z3="7.12710623"
                        zFract="0.35635531"/>
                  <atom elementType="H"
                        id="a49"
                        x3="10.46443099"
                        xFract="0.84808244"
                        y3="4.30926179"
                        yFract="0.52905299"
                        z3="11.53510345"
                        zFract="0.57675517"/>
                  <atom elementType="H"
                        id="a50"
                        x3="9.14669198"
                        xFract="0.64006365"
                        y3="5.41559534"
                        yFract="0.66487882"
                        z3="10.97881052"
                        zFract="0.54894053"/>
                  <atom elementType="H"
                        id="a51"
                        x3="9.8064654"
                        xFract="0.78609473"
                        y3="4.179441"
                        yFract="0.51311474"
                        z3="9.85750177"
                        zFract="0.49287509"/>
                  <atom elementType="H"
                        id="a52"
                        x3="4.82934766"
                        xFract="0.41182734"
                        y3="1.65581315"
                        yFract="0.20328607"
                        z3="11.56207025"
                        zFract="0.57810351"/>
                  <atom elementType="H"
                        id="a53"
                        x3="5.34383745"
                        xFract="0.4421171"
                        y3="2.05350115"
                        yFract="0.25211068"
                        z3="9.87759773"
                        zFract="0.49387989"/>
                  <atom elementType="H"
                        id="a54"
                        x3="4.81711087"
                        xFract="0.30536801"
                        y3="3.36889135"
                        yFract="0.41360263"
                        z3="10.97936533"
                        zFract="0.54896827"/>
                  <atom elementType="C"
                        id="a55"
                        x3="7.42375273"
                        xFract="0.57760414"
                        y3="3.44887207"
                        yFract="0.42342196"
                        z3="10.85943968"
                        zFract="0.54297198"/>
                  <atom elementType="C"
                        id="a56"
                        x3="9.57044231"
                        xFract="0.74720414"
                        y3="4.40418319"
                        yFract="0.5407066"
                        z3="10.90920969"
                        zFract="0.54546048"/>
                  <atom elementType="C"
                        id="a57"
                        x3="5.32432212"
                        xFract="0.41903091"
                        y3="2.39578461"
                        yFract="0.29413321"
                        z3="10.92395777"
                        zFract="0.54619789"/>
                  <atom elementType="O"
                        id="a58"
                        x3="7.0604731"
                        xFract="0.49226311"
                        y3="4.2098991"
                        yFract="0.51685412"
                        z3="9.96747603"
                        zFract="0.4983738"/>
                  <atom elementType="O"
                        id="a59"
                        x3="8.63769526"
                        xFract="0.70790468"
                        y3="3.42882479"
                        yFract="0.42096073"
                        z3="11.4341223"
                        zFract="0.57170611"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.67261119"
                        xFract="0.55601468"
                        y3="2.49955924"
                        yFract="0.30687374"
                        z3="11.44218354"
                        zFract="0.57210918"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a15" 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 a17" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a6" 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 a22" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a17" 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 a21" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a11" 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 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a28" 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 a33" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a26" 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 a36" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a30" 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 a31" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" 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 a41" 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 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="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a40" 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 a56" order="S"/>
                  <bond atomRefs2="a50 a56" order="S"/>
                  <bond atomRefs2="a51 a56" order="S"/>
                  <bond atomRefs2="a52 a57" order="S"/>
                  <bond atomRefs2="a53 a57" order="S"/>
                  <bond atomRefs2="a54 a57" order="S"/>
                  <bond atomRefs2="a55 a59" order="S"/>
                  <bond atomRefs2="a55 a58" order="S"/>
                  <bond atomRefs2="a55 a60" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
                  <bond atomRefs2="a57 a60" order="S"/>
               </bondArray>
               <formula concise="C3H6O3Zn48">
                  <atomArray count="3 6 3 48" elementType="C H O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3223.662300000003</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
