<?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">2022-04-05T18:27:45.000</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="0.78296476"
                        xFract="0.00015699"
                        y3="1.3535773"
                        yFract="0.16618023"
                        z3="4.7343698"
                        zFract="0.23671849"/>
                  <atom elementType="Zn"
                        id="a26"
                        x3="7.84474702"
                        xFract="0.33474314"
                        y3="8.13437622"
                        yFract="0.99866665"
                        z3="4.735411"
                        zFract="0.23677055"/>
                  <atom elementType="Zn"
                        id="a27"
                        x3="3.14495494"
                        xFract="0.16753508"
                        y3="2.717996"
                        yFract="0.33369147"
                        z3="4.7341174"
                        zFract="0.23670587"/>
                  <atom elementType="Zn"
                        id="a28"
                        x3="5.49297227"
                        xFract="0.50100768"
                        y3="1.35245481"
                        yFract="0.16604242"
                        z3="4.7347032"
                        zFract="0.23673516"/>
                  <atom elementType="Zn"
                        id="a29"
                        x3="7.84385521"
                        xFract="0.83394918"
                        y3="0.00052887"
                        yFract="0.00006493"
                        z3="4.7373286"
                        zFract="0.23686643"/>
                  <atom elementType="Zn"
                        id="a30"
                        x3="7.83787992"
                        xFract="0.66658352"
                        y3="2.71664519"
                        yFract="0.33352563"
                        z3="4.74733"
                        zFract="0.2373665"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="3.14917548"
                        xFract="0.00212706"
                        y3="5.41988112"
                        yFract="0.66540499"
                        z3="4.7411042"
                        zFract="0.23705521"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="5.49538012"
                        xFract="0.33423725"
                        y3="4.07339457"
                        yFract="0.5000953"
                        z3="4.743902"
                        zFract="0.2371951"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="5.49140506"
                        xFract="0.1677525"
                        y3="6.77862495"
                        yFract="0.83221952"
                        z3="4.7378736"
                        zFract="0.23689368"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.83482922"
                        xFract="0.5000943"
                        y3="5.42354941"
                        yFract="0.66585535"
                        z3="4.740828"
                        zFract="0.2370414"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.19851955"
                        xFract="0.83481933"
                        y3="4.06475199"
                        yFract="0.49903424"
                        z3="4.7318746"
                        zFract="0.23659373"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="10.19206727"
                        xFract="0.66711327"
                        y3="6.78558742"
                        yFract="0.83307431"
                        z3="4.731028"
                        zFract="0.2365514"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.71675192"
                        xFract="0.00189864"
                        y3="8.13872422"
                        yFract="0.99920046"
                        z3="7.1418956"
                        zFract="0.35709478"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.36054816"
                        xFract="0.16784163"
                        y3="1.35436975"
                        yFract="0.16627752"
                        z3="7.1199476"
                        zFract="0.35599738"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.71936909"
                        xFract="0.33525319"
                        y3="2.71275389"
                        yFract="0.33304789"
                        z3="7.1416992"
                        zFract="0.35708496"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="9.42042867"
                        xFract="0.50209737"
                        y3="8.13725727"
                        yFract="0.99902036"
                        z3="7.132947"
                        zFract="0.35664735"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="7.06502625"
                        xFract="0.66838529"
                        y3="1.34867167"
                        yFract="0.16557796"
                        z3="7.1239854"
                        zFract="0.35619927"/>
                  <atom elementType="Zn"
                        id="a42"
                        x3="9.41752045"
                        xFract="0.83502888"
                        y3="2.7086082"
                        yFract="0.33253892"
                        z3="7.1235776"
                        zFract="0.35617888"/>
                  <atom elementType="Zn"
                        id="a43"
                        x3="2.36806846"
                        xFract="0.00214885"
                        y3="4.0666091"
                        yFract="0.49926224"
                        z3="7.1308666"
                        zFract="0.35654333"/>
                  <atom elementType="Zn"
                        id="a44"
                        x3="4.71631274"
                        xFract="0.16826485"
                        y3="5.42777923"
                        yFract="0.66637465"
                        z3="7.1803544"
                        zFract="0.35901772"/>
                  <atom elementType="Zn"
                        id="a45"
                        x3="7.06096414"
                        xFract="0.33447666"
                        y3="6.78116553"
                        yFract="0.83253143"
                        z3="7.1322132"
                        zFract="0.35661066"/>
                  <atom elementType="Zn"
                        id="a46"
                        x3="7.06013534"
                        xFract="0.5008104"
                        y3="4.07007466"
                        yFract="0.49968771"
                        z3="7.2373352"
                        zFract="0.36186676"/>
                  <atom elementType="Zn"
                        id="a47"
                        x3="9.41438759"
                        xFract="0.66774745"
                        y3="5.4282756"
                        yFract="0.66643559"
                        z3="7.1041198"
                        zFract="0.35520599"/>
                  <atom elementType="Zn"
                        id="a48"
                        x3="11.76586076"
                        xFract="0.83460062"
                        y3="6.78302949"
                        yFract="0.83276027"
                        z3="7.1341878"
                        zFract="0.35670939"/>
                  <atom elementType="H"
                        id="a49"
                        x3="7.42016574"
                        xFract="0.60464308"
                        y3="3.00218208"
                        yFract="0.36858132"
                        z3="10.1617958"
                        zFract="0.50808979"/>
                  <atom elementType="H"
                        id="a50"
                        x3="8.3928622"
                        xFract="0.58605018"
                        y3="4.98982892"
                        yFract="0.61260699"
                        z3="11.5745802"
                        zFract="0.57872901"/>
                  <atom elementType="H"
                        id="a51"
                        x3="7.79554841"
                        xFract="0.46288813"
                        y3="5.96161918"
                        yFract="0.73191479"
                        z3="10.197126"
                        zFract="0.5098563"/>
                  <atom elementType="H"
                        id="a52"
                        x3="9.07123207"
                        xFract="0.67343282"
                        y3="4.74129543"
                        yFract="0.58209425"
                        z3="9.9271152"
                        zFract="0.49635576"/>
                  <atom elementType="H"
                        id="a53"
                        x3="3.220257"
                        xFract="0.11185353"
                        y3="3.75550179"
                        yFract="0.46106724"
                        z3="9.895026"
                        zFract="0.4947513"/>
                  <atom elementType="H"
                        id="a54"
                        x3="3.57778661"
                        xFract="0.14887286"
                        y3="3.77169884"
                        yFract="0.46305577"
                        z3="11.6422568"
                        zFract="0.58211284"/>
                  <atom elementType="H"
                        id="a55"
                        x3="3.26150234"
                        xFract="0.27092939"
                        y3="1.23551975"
                        yFract="0.15168617"
                        z3="9.8929362"
                        zFract="0.49464681"/>
                  <atom elementType="H"
                        id="a56"
                        x3="2.05391359"
                        xFract="0.10526965"
                        y3="1.84259027"
                        yFract="0.22621691"
                        z3="11.0539784"
                        zFract="0.55269892"/>
                  <atom elementType="H"
                        id="a57"
                        x3="3.62454685"
                        xFract="0.30965656"
                        y3="1.23344736"
                        yFract="0.15143174"
                        z3="11.6430636"
                        zFract="0.58215318"/>
                  <atom elementType="C"
                        id="a58"
                        x3="5.82268484"
                        xFract="0.35956136"
                        y3="4.22776123"
                        yFract="0.51904707"
                        z3="10.4628474"
                        zFract="0.52314237"/>
                  <atom elementType="C"
                        id="a59"
                        x3="8.15936764"
                        xFract="0.56241406"
                        y3="4.97044806"
                        yFract="0.61022758"
                        z3="10.4965354"
                        zFract="0.52482677"/>
                  <atom elementType="C"
                        id="a60"
                        x3="3.69364408"
                        xFract="0.19690216"
                        y3="3.18994982"
                        yFract="0.39163378"
                        z3="10.7160416"
                        zFract="0.53580208"/>
                  <atom elementType="C"
                        id="a61"
                        x3="3.13035029"
                        xFract="0.22286331"
                        y3="1.79137693"
                        yFract="0.21992939"
                        z3="10.8347328"
                        zFract="0.54173664"/>
                  <atom elementType="N"
                        id="a62"
                        x3="7.14299687"
                        xFract="0.51514558"
                        y3="3.98006816"
                        yFract="0.48863751"
                        z3="10.1752104"
                        zFract="0.50876052"/>
                  <atom elementType="O"
                        id="a63"
                        x3="5.34570987"
                        xFract="0.24093852"
                        y3="5.33403856"
                        yFract="0.654866"
                        z3="10.6909054"
                        zFract="0.53454527"/>
                  <atom elementType="O"
                        id="a64"
                        x3="5.11182983"
                        xFract="0.35569303"
                        y3="3.05954116"
                        yFract="0.37562336"
                        z3="10.4233834"
                        zFract="0.52116917"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 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 a25" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a28" order="S"/>
                  <bond atomRefs2="a18 a35" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 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 a62" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a63" order="S"/>
                  <bond atomRefs2="a58 a64" order="S"/>
                  <bond atomRefs2="a59 a62" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
               </bondArray>
               <formula concise="C4H9NO2Zn48">
                  <atomArray count="4 9 1 2 48" elementType="C H N O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3233.6803000000027</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">618.0000</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="5">PAW_PBE Zn 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="5">Zn H C N O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="5">65.39 1.00 12.01 14.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="5">12.00 1.00 4.00 5.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="5">48 9 4 1 2</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">-24.0945 -21.7632 -19.7615 -15.6771 -14.0353 -12.0364 -10.9152 -10.1799 -10.1676 -9.2353 -8.6621 -8.5518 -8.4838 -8.4698 -8.4690 -8.4673 -8.4330 -8.4321 -8.4315 -8.3489 -8.3449 -8.3427 -8.3417 -8.3386 -8.3374 -8.3308 -8.3305 -8.3295 -8.3079 -8.1451 -8.1441 -8.1431 -8.1250 -8.1235 -8.1228 -8.1219 -8.1197 -8.1183 -8.1152 -8.1150 -8.1133 -8.1100 -8.1085 -8.0717 -8.0707 -8.0694 -8.0691 -8.0688 -8.0682 -8.0675 -8.0669 -8.0657 -8.0441 -8.0421 -8.0392 -8.0390 -8.0358 -8.0323 -8.0296 -8.0277 -8.0261 -8.0255 -7.9774 -7.9762 -7.9756 -7.9735 -7.9711 -7.9687 -7.9133 -7.9133 -7.8972 -7.8970 -7.8947 -7.8831 -7.8823 -7.8820 -7.8809 -7.8800 -7.8787 -7.8721 -7.8713 -7.8699 -7.8688 -7.8678 -7.8667 -7.8652 -7.8635 -7.8623 -7.8609 -7.8575 -7.8448 -7.8439 -7.8009 -7.8007 -7.7597 -7.7593 -7.7215 -7.7143 -7.7134 -7.7089 -7.7055 -7.7032 -7.7011 -7.7009 -7.7000 -7.6982 -7.6731 -7.6719 -7.6714 -7.6659 -7.6651 -7.6643 -7.6634 -7.6626 -7.6625 -7.6571 -7.6568 -7.6529 -7.6524 -7.6514 -7.6476 -7.6474 -7.6451 -7.6417 -7.6390 -7.6380 -7.6103 -7.6098 -7.6086 -7.6083 -7.6075 -7.6066 -7.5788 -7.5765 -7.5742 -7.5726 -7.5723 -7.5702 -7.5659 -7.5643 -7.5558 -7.5544 -7.5541 -7.5531 -7.5520 -7.5488 -7.5482 -7.5373 -7.5151 -7.5147 -7.4715 -7.4710 -7.4698 -7.4692 -7.4685 -7.4641 -7.4636 -7.4541 -7.4539 -7.4444 -7.4421 -7.4399 -7.4384 -7.4380 -7.4358 -7.4346 -7.4312 -7.4307 -7.4234 -7.4201 -7.4040 -7.4027 -7.3782 -7.3777 -7.3591 -7.3509 -7.3493 -7.3484 -7.3453 -7.3383 -7.3226 -7.2878 -7.2873 -7.2855 -7.2834 -7.2507 -7.2494 -7.2485 -7.2479 -7.2475 -7.2462 -7.2216 -7.2198 -7.2170 -7.2160 -7.2153 -7.2149 -7.2135 -7.2129 -7.2118 -7.2061 -7.2057 -7.2017 -7.2015 -7.1921 -7.1912 -7.1907 -7.1901 -7.1882 -7.1874 -7.1557 -7.1535 -7.1519 -7.1509 -7.1501 -7.1487 -7.1405 -7.1402 -7.1380 -7.1373 -7.1362 -7.1356 -7.1323 -7.1307 -7.1305 -7.1289 -7.1281 -7.1276 -7.1266 -7.1210 -7.1199 -7.1173 -7.1135 -7.1131 -7.1024 -7.1022 -7.0996 -7.0991 -7.0980 -7.0964 -7.0859 -7.0841 -7.0829 -7.0827 -7.0784 -7.0686 -7.0680 -7.0673 -6.8462 -6.8451 -6.8446 -6.8243 -6.8212 -6.8205 -6.7921 -6.7907 -6.7895 -6.7883 -6.7867 -6.7858 -6.6981 -6.5968 -6.4339 -6.1229 -6.1122 -6.1061 -6.0997 -6.0850 -6.0809 -5.9999 -5.9135 -5.2262 -4.9688 -4.6025 -4.5932 -4.5844 -4.5739 -4.5685 -4.5555 -4.3861 -3.5998 -3.0323 -2.8969 -2.8373 -2.8332 -2.8308 -2.4584 -2.4439 -2.4379 -2.4361 -2.4183 -2.4104 -2.4005 -2.3940 -2.3420 -2.2378 -1.8285 -1.8230 -1.8205 -1.6413 -1.6385 -1.6290 -0.2393 -0.2390 -0.2071 -0.2045 0.0961 0.0978 0.3512 0.3607 0.3696 0.4349 0.4483 0.4626 0.4730 0.4821 0.4894 0.4968 0.5042 0.5346 0.7524 0.7566 0.7922 0.7952 1.0069 1.1648 1.1684 1.8715 1.8842 1.8889 2.4442 2.4471 2.4786 2.5108 2.5182 2.5278 2.5331 2.6120 2.6413 2.6559 3.0351 3.0767 3.1390 3.1763 3.2041 3.2377 3.3848 3.7825 4.0042 4.1712 4.2498 4.2589 4.3973 4.4520 4.4640 4.4989 4.5184 4.5341 4.5478 4.5668 4.7278 4.7575 4.9102 5.0291 5.4281 5.6641 5.8047 5.8691 5.9421 5.9915 6.0775 6.5303 -24.0945 -21.7633 -19.7616 -15.6757 -14.0380 -12.0376 -10.9155 -10.1643 -9.9185 -9.1947 -9.0055 -8.6641 -8.6563 -8.6319 -8.4401 -8.4240 -8.4222 -8.4203 -8.3847 -8.3827 -8.3783 -8.3667 -8.3425 -8.3096 -8.3057 -8.3043 -8.2868 -8.2866 -8.2804 -8.2702 -8.2665 -8.2492 -8.2460 -8.2075 -8.2021 -8.1783 -8.1775 -8.1698 -8.1630 -8.1582 -8.1540 -8.1451 -8.1362 -8.1229 -8.1048 -8.1038 -8.0961 -8.0867 -8.0848 -8.0827 -8.0799 -8.0768 -8.0456 -8.0425 -8.0331 -8.0296 -8.0278 -8.0229 -8.0167 -8.0151 -7.9958 -7.9945 -7.9891 -7.9823 -7.9754 -7.9608 -7.9579 -7.9572 -7.9485 -7.9387 -7.9334 -7.9312 -7.8857 -7.8850 -7.8832 -7.8656 -7.8648 -7.8611 -7.8576 -7.8556 -7.8538 -7.8514 -7.8498 -7.8488 -7.8452 -7.8399 -7.8369 -7.8244 -7.8211 -7.8194 -7.7935 -7.7925 -7.7840 -7.7676 -7.7639 -7.7622 -7.7588 -7.7453 -7.7335 -7.7171 -7.7109 -7.7083 -7.7056 -7.7043 -7.7023 -7.6992 -7.6976 -7.6959 -7.6942 -7.6913 -7.6902 -7.6859 -7.6828 -7.6799 -7.6780 -7.6608 -7.6462 -7.6455 -7.6393 -7.6332 -7.6300 -7.6261 -7.6065 -7.5886 -7.5878 -7.5823 -7.5786 -7.5737 -7.5704 -7.5693 -7.5691 -7.5681 -7.5546 -7.5498 -7.5461 -7.5376 -7.5329 -7.5312 -7.5291 -7.5228 -7.5183 -7.5162 -7.5108 -7.5080 -7.5051 -7.4803 -7.4778 -7.4738 -7.4714 -7.4696 -7.4678 -7.4652 -7.4546 -7.4505 -7.4477 -7.4442 -7.4404 -7.4380 -7.4349 -7.4285 -7.4268 -7.4255 -7.4205 -7.4167 -7.4091 -7.3958 -7.3800 -7.3782 -7.3713 -7.3686 -7.3660 -7.3606 -7.3525 -7.3504 -7.3447 -7.3407 -7.3363 -7.3336 -7.3314 -7.3299 -7.3284 -7.3198 -7.3129 -7.3105 -7.3004 -7.2845 -7.2788 -7.2764 -7.2732 -7.2695 -7.2678 -7.2658 -7.2650 -7.2627 -7.2616 -7.2579 -7.2558 -7.2544 -7.2456 -7.2412 -7.2332 -7.2286 -7.2269 -7.2235 -7.2082 -7.2060 -7.1919 -7.1801 -7.1784 -7.1764 -7.1688 -7.1655 -7.1628 -7.1591 -7.1584 -7.1560 -7.1487 -7.1472 -7.1459 -7.1451 -7.1422 -7.1418 -7.1396 -7.1368 -7.1332 -7.1328 -7.1296 -7.1266 -7.1253 -7.1217 -7.1207 -7.1198 -7.1141 -7.1119 -7.1104 -7.1094 -7.1083 -7.1063 -7.1053 -7.1030 -7.0961 -7.0876 -7.0822 -7.0755 -7.0561 -7.0545 -7.0497 -7.0445 -7.0265 -7.0234 -7.0073 -6.9826 -6.9497 -6.9262 -6.9178 -6.9173 -6.8953 -6.8929 -6.6294 -6.5887 -6.5661 -6.4531 -6.3708 -6.0723 -6.0652 -6.0258 -5.9122 -5.7519 -5.2784 -5.2458 -5.1607 -5.1500 -5.0945 -5.0679 -4.9254 -4.6480 -4.6415 -4.3343 -4.1939 -3.7275 -3.6788 -3.6546 -3.6126 -3.5804 -3.4862 -3.0825 -2.9611 -2.9480 -2.8927 -2.8105 -2.6995 -2.4734 -2.1550 -2.1449 -2.1357 -1.9634 -1.9175 -1.5095 -1.4984 -1.4935 -1.4693 -1.3954 -1.3235 -0.9719 -0.7458 -0.5049 -0.5009 -0.4940 -0.4593 -0.4480 -0.0995 -0.0792 0.5947 0.6919 0.7130 0.7155 1.1735 1.2444 1.3202 1.3239 1.3649 1.3754 1.5346 1.5606 1.9006 1.9560 1.9779 2.1616 2.3271 2.5876 2.6057 2.6353 2.6672 2.6893 2.7081 2.8646 2.9391 2.9894 3.1619 3.2318 3.2667 3.3291 3.3345 3.3726 3.4481 3.5716 3.8637 3.8820 3.9892 4.0144 4.0642 4.2088 4.2160 4.2494 4.2979 4.3055 4.3687 4.4317 4.4779 4.5498 4.6003 4.7018 4.7318 4.7431 4.8194 4.9403 5.0128 5.1925 5.3595 5.4340 5.4912 5.6156 -24.0945 -21.7633 -19.7615 -15.6758 -14.0396 -12.0289 -10.9189 -10.1721 -9.9184 -9.1948 -9.0058 -8.6624 -8.6550 -8.6369 -8.4399 -8.4231 -8.4215 -8.4201 -8.3842 -8.3837 -8.3780 -8.3655 -8.3423 -8.3165 -8.3056 -8.3045 -8.2868 -8.2866 -8.2804 -8.2694 -8.2675 -8.2480 -8.2472 -8.2071 -8.2020 -8.1782 -8.1777 -8.1697 -8.1632 -8.1575 -8.1559 -8.1451 -8.1359 -8.1230 -8.1047 -8.1038 -8.0960 -8.0873 -8.0841 -8.0829 -8.0800 -8.0762 -8.0458 -8.0426 -8.0322 -8.0311 -8.0264 -8.0246 -8.0163 -8.0156 -7.9955 -7.9944 -7.9894 -7.9819 -7.9755 -7.9605 -7.9586 -7.9573 -7.9484 -7.9385 -7.9335 -7.9317 -7.8855 -7.8849 -7.8840 -7.8654 -7.8647 -7.8607 -7.8570 -7.8551 -7.8532 -7.8511 -7.8501 -7.8487 -7.8455 -7.8399 -7.8376 -7.8243 -7.8209 -7.8196 -7.7930 -7.7924 -7.7844 -7.7672 -7.7650 -7.7611 -7.7583 -7.7448 -7.7327 -7.7152 -7.7123 -7.7080 -7.7062 -7.7038 -7.7012 -7.7001 -7.6978 -7.6956 -7.6944 -7.6914 -7.6907 -7.6850 -7.6826 -7.6799 -7.6782 -7.6624 -7.6466 -7.6462 -7.6393 -7.6324 -7.6298 -7.6284 -7.6063 -7.5886 -7.5874 -7.5824 -7.5789 -7.5730 -7.5702 -7.5694 -7.5682 -7.5675 -7.5549 -7.5500 -7.5460 -7.5374 -7.5331 -7.5315 -7.5281 -7.5247 -7.5177 -7.5160 -7.5109 -7.5071 -7.5056 -7.4801 -7.4786 -7.4742 -7.4710 -7.4702 -7.4683 -7.4653 -7.4549 -7.4502 -7.4478 -7.4460 -7.4402 -7.4383 -7.4349 -7.4280 -7.4271 -7.4249 -7.4214 -7.4172 -7.4092 -7.3954 -7.3805 -7.3788 -7.3712 -7.3687 -7.3664 -7.3568 -7.3526 -7.3490 -7.3418 -7.3395 -7.3368 -7.3332 -7.3321 -7.3294 -7.3260 -7.3206 -7.3128 -7.3099 -7.2998 -7.2836 -7.2785 -7.2776 -7.2720 -7.2707 -7.2670 -7.2664 -7.2647 -7.2628 -7.2596 -7.2572 -7.2554 -7.2545 -7.2454 -7.2403 -7.2336 -7.2273 -7.2265 -7.2241 -7.2069 -7.2067 -7.1925 -7.1804 -7.1788 -7.1768 -7.1688 -7.1646 -7.1637 -7.1589 -7.1577 -7.1562 -7.1487 -7.1472 -7.1458 -7.1450 -7.1424 -7.1420 -7.1394 -7.1368 -7.1330 -7.1323 -7.1298 -7.1269 -7.1258 -7.1219 -7.1204 -7.1177 -7.1150 -7.1132 -7.1104 -7.1091 -7.1083 -7.1056 -7.1047 -7.1032 -7.0961 -7.0880 -7.0826 -7.0755 -7.0559 -7.0545 -7.0499 -7.0442 -7.0254 -7.0230 -7.0072 -6.9826 -6.9497 -6.9263 -6.9182 -6.9170 -6.8952 -6.8927 -6.6458 -6.5866 -6.5368 -6.4403 -6.3656 -6.0707 -6.0662 -6.0416 -5.9268 -5.7607 -5.2791 -5.2485 -5.1645 -5.1381 -5.0915 -5.0736 -4.9282 -4.6463 -4.6432 -4.3351 -4.1941 -3.7336 -3.6772 -3.6544 -3.6085 -3.5816 -3.4848 -3.0444 -2.9692 -2.9556 -2.9043 -2.8192 -2.6908 -2.4720 -2.1573 -2.1483 -2.1380 -1.9625 -1.9160 -1.5107 -1.5020 -1.4926 -1.4697 -1.3962 -1.3194 -0.9692 -0.7431 -0.5056 -0.5024 -0.4944 -0.4574 -0.4473 -0.0980 -0.0828 0.5863 0.6977 0.7132 0.7166 1.1759 1.2396 1.3158 1.3252 1.3681 1.3723 1.5384 1.5512 1.9009 1.9600 1.9707 2.1633 2.3371 2.5855 2.6058 2.6536 2.6590 2.6765 2.6987 2.8518 2.9406 2.9914 3.1584 3.2117 3.2835 3.3075 3.3349 3.3451 3.4363 3.5541 3.8648 3.9330 3.9650 4.0407 4.1438 4.1745 4.2164 4.2243 4.2497 4.2988 4.4344 4.4607 4.5251 4.5729 4.6277 4.6896 4.7228 4.7639 4.8026 4.9367 5.0175 5.1344 5.2979 5.3313 5.5045 5.7789 -24.0945 -21.7633 -19.7616 -15.6745 -14.0422 -12.0300 -10.9192 -10.1648 -9.9184 -9.1942 -9.0042 -8.6734 -8.6553 -8.6219 -8.4402 -8.4271 -8.4222 -8.4207 -8.3843 -8.3833 -8.3780 -8.3700 -8.3425 -8.3172 -8.3057 -8.3040 -8.2870 -8.2866 -8.2803 -8.2687 -8.2672 -8.2479 -8.2472 -8.2087 -8.2019 -8.1778 -8.1773 -8.1701 -8.1635 -8.1552 -8.1536 -8.1450 -8.1367 -8.1228 -8.1047 -8.1041 -8.0966 -8.0863 -8.0848 -8.0828 -8.0801 -8.0779 -8.0455 -8.0425 -8.0322 -8.0303 -8.0258 -8.0234 -8.0167 -8.0154 -7.9958 -7.9941 -7.9896 -7.9831 -7.9745 -7.9602 -7.9578 -7.9560 -7.9476 -7.9389 -7.9338 -7.9306 -7.8858 -7.8854 -7.8836 -7.8664 -7.8644 -7.8607 -7.8593 -7.8556 -7.8542 -7.8512 -7.8501 -7.8492 -7.8445 -7.8378 -7.8373 -7.8244 -7.8212 -7.8205 -7.7947 -7.7925 -7.7835 -7.7681 -7.7638 -7.7606 -7.7587 -7.7468 -7.7378 -7.7142 -7.7127 -7.7084 -7.7064 -7.7047 -7.7018 -7.6987 -7.6977 -7.6966 -7.6939 -7.6911 -7.6902 -7.6852 -7.6817 -7.6796 -7.6788 -7.6615 -7.6459 -7.6451 -7.6406 -7.6311 -7.6299 -7.6256 -7.6072 -7.5893 -7.5863 -7.5829 -7.5772 -7.5740 -7.5717 -7.5700 -7.5685 -7.5674 -7.5536 -7.5491 -7.5470 -7.5373 -7.5334 -7.5311 -7.5275 -7.5252 -7.5189 -7.5157 -7.5104 -7.5076 -7.5060 -7.4795 -7.4782 -7.4747 -7.4719 -7.4695 -7.4670 -7.4650 -7.4532 -7.4503 -7.4472 -7.4458 -7.4392 -7.4381 -7.4361 -7.4289 -7.4270 -7.4243 -7.4207 -7.4158 -7.4094 -7.3960 -7.3803 -7.3776 -7.3732 -7.3702 -7.3661 -7.3584 -7.3520 -7.3500 -7.3481 -7.3412 -7.3370 -7.3341 -7.3313 -7.3294 -7.3283 -7.3200 -7.3136 -7.3093 -7.3002 -7.2848 -7.2789 -7.2758 -7.2740 -7.2695 -7.2672 -7.2668 -7.2653 -7.2627 -7.2617 -7.2577 -7.2566 -7.2539 -7.2452 -7.2407 -7.2339 -7.2273 -7.2263 -7.2246 -7.2074 -7.2066 -7.1912 -7.1799 -7.1785 -7.1760 -7.1680 -7.1659 -7.1631 -7.1593 -7.1584 -7.1565 -7.1484 -7.1472 -7.1464 -7.1451 -7.1417 -7.1412 -7.1397 -7.1366 -7.1344 -7.1329 -7.1288 -7.1266 -7.1257 -7.1216 -7.1189 -7.1181 -7.1166 -7.1138 -7.1105 -7.1092 -7.1068 -7.1060 -7.1047 -7.1045 -7.0966 -7.0870 -7.0809 -7.0758 -7.0555 -7.0543 -7.0507 -7.0456 -7.0259 -7.0236 -7.0092 -6.9799 -6.9497 -6.9263 -6.9179 -6.9172 -6.8951 -6.8925 -6.6222 -6.5895 -6.5490 -6.4264 -6.3765 -6.0802 -6.0664 -6.0471 -5.9135 -5.7430 -5.2817 -5.2440 -5.1596 -5.1512 -5.0970 -5.0864 -4.9210 -4.6486 -4.6408 -4.3324 -4.1902 -3.6902 -3.6788 -3.6665 -3.6054 -3.5718 -3.5471 -3.0394 -2.9680 -2.9351 -2.9093 -2.8259 -2.6975 -2.4747 -2.1610 -2.1388 -2.1317 -1.9613 -1.9177 -1.5197 -1.4952 -1.4885 -1.4678 -1.3941 -1.3270 -0.9722 -0.7419 -0.5068 -0.4989 -0.4942 -0.4605 -0.4451 -0.1178 -0.0642 0.5986 0.6822 0.7105 0.7182 1.1762 1.2409 1.3116 1.3271 1.3673 1.3752 1.5260 1.5737 1.9017 1.9563 1.9671 2.1533 2.3393 2.5921 2.6036 2.6145 2.6708 2.6833 2.7345 2.8568 2.9392 2.9764 3.1647 3.2378 3.2937 3.3282 3.3333 3.3547 3.4330 3.5114 3.8622 3.9513 3.9909 4.0276 4.0935 4.1999 4.2131 4.2505 4.2518 4.3000 4.4079 4.4627 4.5151 4.5620 4.5863 4.6892 4.7239 4.7702 4.8352 4.9362 4.9689 5.1935 5.3298 5.4079 5.5009 5.7594 -24.0946 -21.7634 -19.7616 -15.6745 -14.0422 -12.0301 -10.9191 -10.1648 -9.4328 -9.4291 -9.4219 -8.6977 -8.6041 -8.5980 -8.5315 -8.4287 -8.4270 -8.4267 -8.3421 -8.3416 -8.3414 -8.3175 -8.2824 -8.2800 -8.2729 -8.2606 -8.2591 -8.2581 -8.2571 -8.2557 -8.2539 -8.2341 -8.2332 -8.2316 -8.2296 -8.2291 -8.2276 -8.2186 -8.2179 -8.2172 -8.1946 -8.1939 -8.1925 -8.1916 -8.1895 -8.1878 -8.1761 -8.1717 -8.1586 -8.0800 -8.0789 -8.0783 -8.0445 -8.0441 -8.0422 -8.0302 -8.0294 -8.0280 -8.0271 -8.0242 -8.0210 -7.9617 -7.9602 -7.9588 -7.9575 -7.9564 -7.9554 -7.9537 -7.9506 -7.9488 -7.9009 -7.8986 -7.8976 -7.8953 -7.8942 -7.8936 -7.8932 -7.8902 -7.8868 -7.8470 -7.8431 -7.8420 -7.8292 -7.8276 -7.8270 -7.8260 -7.8255 -7.8251 -7.8242 -7.8223 -7.8221 -7.8209 -7.8171 -7.8161 -7.7829 -7.7729 -7.7715 -7.7213 -7.7090 -7.7066 -7.7050 -7.7036 -7.7019 -7.6925 -7.6785 -7.6770 -7.6707 -7.6610 -7.6598 -7.6586 -7.6579 -7.6572 -7.6568 -7.6559 -7.6546 -7.6439 -7.6430 -7.6426 -7.6310 -7.6200 -7.6186 -7.6174 -7.6161 -7.6152 -7.6142 -7.6128 -7.6125 -7.6118 -7.6080 -7.6069 -7.6064 -7.5731 -7.5709 -7.5695 -7.5292 -7.5265 -7.5247 -7.5221 -7.5204 -7.5192 -7.5046 -7.5026 -7.5015 -7.4876 -7.4861 -7.4850 -7.4829 -7.4816 -7.4799 -7.4358 -7.4346 -7.4331 -7.4321 -7.4311 -7.4300 -7.4236 -7.4215 -7.4206 -7.3944 -7.3912 -7.3910 -7.3881 -7.3848 -7.3827 -7.3703 -7.3617 -7.3573 -7.3489 -7.3377 -7.3372 -7.3364 -7.3353 -7.3350 -7.3333 -7.3309 -7.3293 -7.3288 -7.3264 -7.3239 -7.3210 -7.2855 -7.2850 -7.2837 -7.2830 -7.2823 -7.2818 -7.2809 -7.2799 -7.2792 -7.2775 -7.2748 -7.2743 -7.2516 -7.2514 -7.2504 -7.2490 -7.2476 -7.2440 -7.2317 -7.2303 -7.2296 -7.2292 -7.2287 -7.2286 -7.2258 -7.2242 -7.2216 -7.2195 -7.2181 -7.2174 -7.2160 -7.2152 -7.2144 -7.2101 -7.2082 -7.2063 -7.2050 -7.2036 -7.2000 -7.1461 -7.1458 -7.1457 -7.1369 -7.1360 -7.1339 -7.1333 -7.1324 -7.1319 -7.1254 -7.1243 -7.1234 -7.1169 -7.1164 -7.1159 -7.1000 -7.0971 -7.0947 -7.0811 -7.0768 -7.0572 -7.0253 -7.0251 -7.0247 -7.0241 -7.0236 -7.0225 -7.0188 -7.0188 -7.0186 -7.0027 -7.0002 -6.9980 -6.9967 -6.9954 -6.9929 -6.9917 -6.9880 -6.9856 -6.5822 -6.4341 -6.4178 -6.4173 -6.3819 -6.0693 -5.9981 -5.9761 -5.9629 -5.8889 -5.4862 -5.4831 -5.4728 -5.2133 -4.9446 -4.0441 -4.0427 -4.0404 -4.0382 -4.0369 -4.0347 -3.9279 -3.8972 -3.8807 -3.8140 -3.7880 -3.7675 -3.5491 -3.1137 -3.0735 -3.0675 -3.0637 -3.0565 -3.0539 -2.9789 -2.7957 -1.7807 -1.7743 -1.7539 -1.5515 -1.5498 -1.5464 -1.5450 -1.5411 -1.5187 -1.2993 -1.2879 -1.2442 0.1295 0.1339 0.1423 0.1424 0.1508 0.1582 1.1023 1.1042 1.1071 1.1101 1.1128 1.1168 1.2546 1.2705 1.2866 1.6815 1.7239 1.7790 1.8273 1.8308 1.8321 1.8389 1.8422 1.8444 3.0273 3.0899 3.1001 3.1034 3.1165 3.1323 3.1380 3.1498 3.1611 3.1701 3.2612 3.3848 3.5150 3.6920 3.7096 3.7195 3.7403 3.7595 3.7775 3.7933 3.8108 3.8827 4.1989 4.2196 4.2366 4.4047 4.4938 4.5538 4.6280 4.7313 4.9530 4.9898 5.0653 5.1003 5.1111 5.1232 5.1674 5.1960 5.2634 5.3022 5.4534 5.7465</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 2.00000 2.00000 2.00000 2.00000 1.99999 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 2.00000 2.00000 2.00000 0.65612 0.16137 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 2.00000 2.00000 2.00000 0.60549 0.21736 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 2.00000 2.00000 2.00000 1.32467 0.03500 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="192"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="2"
                          units="nonsi2:ev.angstrom-1">-0.022518 0.008338 -0.072174 0.021313 -0.033943 -0.076324 -0.012040 0.038524 -0.071621 0.012153 -0.025183 -0.070699 0.001826 0.029911 -0.070476 0.009231 -0.028830 -0.067970 0.007348 -0.039416 -0.069304 -0.014974 0.015090 -0.067369 0.012700 -0.008328 -0.066901 -0.006973 0.030097 -0.069909 0.026614 -0.015703 -0.070077 -0.026703 0.022265 -0.075555 0.002803 0.008355 0.086991 -0.009973 0.007253 0.059222 0.004967 0.011721 0.058137 0.010176 -0.010896 0.082818 0.005462 -0.005921 0.065017 0.007203 -0.012237 0.062762 0.002866 -0.004625 0.083953 0.009823 -0.009518 0.062892 0.001637 -0.006972 0.058462 -0.009330 0.004315 0.085819 0.000387 0.009758 0.059738 -0.006522 0.003890 0.060835 0.000234 -0.000292 0.000620 0.000052 -0.001088 0.000630 -0.000402 0.001133 0.001417 0.000400 -0.000439 0.000592 -0.000043 0.000547 -0.000275 0.000263 -0.000299 -0.001638 -0.000495 -0.000438 -0.001605 -0.000199 0.000227 0.002161 0.000215 -0.000737 0.000957 -0.000468 0.001431 0.000244 0.000269 0.000399 -0.000556 0.000454 0.000027 0.000290 -0.000597 0.000885 0.000910 -0.000209 0.000106 -0.000595 0.001162 -0.001523 -0.002826 0.000437 0.000727 -0.002328 -0.000143 0.001465 0.001170 -0.001158 0.000216 -0.001786 -0.000316 -0.000645 -0.001820 -0.002020 0.000687 -0.002054 -0.000857 0.001570 0.000315 0.000977 0.000181 -0.010887 0.000618 -0.000146 0.000997 0.000701 0.000196 0.000543 -0.007222 0.002884 -0.011701 0.003888 0.001822 0.009569 -0.003695 -0.001109 0.000304 -0.000987 0.001169 -0.005324 -0.003391 0.000897 -0.000888 -0.003057 0.009011 0.010750 -0.002219 -0.000672 0.000801 -0.005456 0.004039 -0.001488 0.001707 0.000029 0.003012 0.018190 -0.015935 0.000062 -0.017267 -0.001614 0.000472 -0.004100 0.000934 -0.013033 -0.005354 -0.009551 0.001456 0.008236 0.000667 0.023264 -0.011046 0.022942 0.015156 0.005426 -0.007651 0.004847 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 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">-146.14661792</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-146.13263031</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-146.13962412</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-0.1090</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3107857E-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="0.78362444"
                        xFract="0.000253"
                        y3="1.35315586"
                        yFract="0.16612849"
                        z3="4.7344809"
                        zFract="0.23672405"/>
                  <atom elementType="Zn"
                        id="a26"
                        x3="7.84464577"
                        xFract="0.3347391"
                        y3="8.13426659"
                        yFract="0.99865319"
                        z3="4.73525217"
                        zFract="0.23676261"/>
                  <atom elementType="Zn"
                        id="a27"
                        x3="3.14462899"
                        xFract="0.16749368"
                        y3="2.71810581"
                        yFract="0.33370495"
                        z3="4.73487177"
                        zFract="0.23674359"/>
                  <atom elementType="Zn"
                        id="a28"
                        x3="5.49343807"
                        xFract="0.5010742"
                        y3="1.35217801"
                        yFract="0.16600844"
                        z3="4.7345477"
                        zFract="0.23672739"/>
                  <atom elementType="Zn"
                        id="a29"
                        x3="7.84386684"
                        xFract="0.8339388"
                        y3="0.00071814"
                        yFract="0.00008817"
                        z3="4.73703887"
                        zFract="0.23685194"/>
                  <atom elementType="Zn"
                        id="a30"
                        x3="7.8382562"
                        xFract="0.66665499"
                        y3="2.71613258"
                        yFract="0.3334627"
                        z3="4.74491427"
                        zFract="0.23724571"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="3.1485294"
                        xFract="0.00201549"
                        y3="5.42057961"
                        yFract="0.66549074"
                        z3="4.73947551"
                        zFract="0.23697378"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="5.49459428"
                        xFract="0.33414054"
                        y3="4.07360898"
                        yFract="0.50012162"
                        z3="4.74491297"
                        zFract="0.23724565"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="5.49114947"
                        xFract="0.16772797"
                        y3="6.77858183"
                        yFract="0.83221423"
                        z3="4.73845193"
                        zFract="0.2369226"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="7.8350168"
                        xFract="0.50004596"
                        y3="5.42466188"
                        yFract="0.66599193"
                        z3="4.74051472"
                        zFract="0.23702574"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="10.19842066"
                        xFract="0.83478177"
                        y3="4.06519258"
                        yFract="0.49908833"
                        z3="4.73101346"
                        zFract="0.23655067"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="10.19273657"
                        xFract="0.66718879"
                        y3="6.78551646"
                        yFract="0.8330656"
                        z3="4.73085643"
                        zFract="0.23654282"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="4.71581147"
                        xFract="0.00171721"
                        y3="8.14005093"
                        yFract="0.99936334"
                        z3="7.14316911"
                        zFract="0.35715846"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.36027029"
                        xFract="0.1678005"
                        y3="1.3545585"
                        yFract="0.16630069"
                        z3="7.1195104"
                        zFract="0.35597552"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.72034379"
                        xFract="0.33538264"
                        y3="2.71233332"
                        yFract="0.33299626"
                        z3="7.13991703"
                        zFract="0.35699585"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="9.42077082"
                        xFract="0.5021198"
                        y3="8.13748456"
                        yFract="0.99904826"
                        z3="7.13085251"
                        zFract="0.35654263"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="7.06513349"
                        xFract="0.66832136"
                        y3="1.34989892"
                        yFract="0.16572863"
                        z3="7.1254882"
                        zFract="0.35627441"/>
                  <atom elementType="Zn"
                        id="a42"
                        x3="9.41664177"
                        xFract="0.83490301"
                        y3="2.70913682"
                        yFract="0.33260382"
                        z3="7.12261186"
                        zFract="0.35613059"/>
                  <atom elementType="Zn"
                        id="a43"
                        x3="2.36824213"
                        xFract="0.00218525"
                        y3="4.06631692"
                        yFract="0.49922637"
                        z3="7.12946992"
                        zFract="0.3564735"/>
                  <atom elementType="Zn"
                        id="a44"
                        x3="4.71468473"
                        xFract="0.16806997"
                        y3="5.42813412"
                        yFract="0.66641822"
                        z3="7.17844597"
                        zFract="0.3589223"/>
                  <atom elementType="Zn"
                        id="a45"
                        x3="7.06015125"
                        xFract="0.33427879"
                        y3="6.78298093"
                        yFract="0.83275431"
                        z3="7.13309413"
                        zFract="0.35665471"/>
                  <atom elementType="Zn"
                        id="a46"
                        x3="7.05989871"
                        xFract="0.500696"
                        y3="4.07152845"
                        yFract="0.49986619"
                        z3="7.22349145"
                        zFract="0.36117457"/>
                  <atom elementType="Zn"
                        id="a47"
                        x3="9.41487005"
                        xFract="0.66778068"
                        y3="5.42856987"
                        yFract="0.66647172"
                        z3="7.10500368"
                        zFract="0.35525018"/>
                  <atom elementType="Zn"
                        id="a48"
                        x3="11.76623835"
                        xFract="0.83462267"
                        y3="6.78332433"
                        yFract="0.83279647"
                        z3="7.13481453"
                        zFract="0.35674073"/>
                  <atom elementType="H"
                        id="a49"
                        x3="7.41755273"
                        xFract="0.60436331"
                        y3="3.00221376"
                        yFract="0.36858521"
                        z3="10.15068977"
                        zFract="0.50753449"/>
                  <atom elementType="H"
                        id="a50"
                        x3="8.40123821"
                        xFract="0.58645735"
                        y3="4.99770362"
                        yFract="0.61357378"
                        z3="11.57855261"
                        zFract="0.57892763"/>
                  <atom elementType="H"
                        id="a51"
                        x3="7.7883337"
                        xFract="0.46219203"
                        y3="5.96046279"
                        yFract="0.73177282"
                        z3="10.20256022"
                        zFract="0.51012801"/>
                  <atom elementType="H"
                        id="a52"
                        x3="9.06485959"
                        xFract="0.67266649"
                        y3="4.74274186"
                        yFract="0.58227183"
                        z3="9.92660518"
                        zFract="0.49633026"/>
                  <atom elementType="H"
                        id="a53"
                        x3="3.21877867"
                        xFract="0.11173472"
                        y3="3.75487672"
                        yFract="0.4609905"
                        z3="9.89352019"
                        zFract="0.49467601"/>
                  <atom elementType="H"
                        id="a54"
                        x3="3.57291532"
                        xFract="0.14823318"
                        y3="3.77368217"
                        yFract="0.46329927"
                        z3="11.6417592"
                        zFract="0.58208796"/>
                  <atom elementType="H"
                        id="a55"
                        x3="3.2583119"
                        xFract="0.27065921"
                        y3="1.23439507"
                        yFract="0.15154809"
                        z3="9.89499226"
                        zFract="0.49474961"/>
                  <atom elementType="H"
                        id="a56"
                        x3="2.05011707"
                        xFract="0.10475449"
                        y3="1.84440673"
                        yFract="0.22643992"
                        z3="11.05434399"
                        zFract="0.5527172"/>
                  <atom elementType="H"
                        id="a57"
                        x3="3.62065297"
                        xFract="0.30916401"
                        y3="1.23472683"
                        yFract="0.15158882"
                        z3="11.6453339"
                        zFract="0.5822667"/>
                  <atom elementType="C"
                        id="a58"
                        x3="5.82157012"
                        xFract="0.35948965"
                        y3="4.22699869"
                        yFract="0.51895345"
                        z3="10.47481623"
                        zFract="0.52374081"/>
                  <atom elementType="C"
                        id="a59"
                        x3="8.1574073"
                        xFract="0.56213207"
                        y3="4.97164637"
                        yFract="0.6103747"
                        z3="10.5027672"
                        zFract="0.52513836"/>
                  <atom elementType="C"
                        id="a60"
                        x3="3.69085768"
                        xFract="0.1965682"
                        y3="3.19056399"
                        yFract="0.39170918"
                        z3="10.71620432"
                        zFract="0.53581022"/>
                  <atom elementType="C"
                        id="a61"
                        x3="3.12676498"
                        xFract="0.22245216"
                        y3="1.79186488"
                        yFract="0.2199893"
                        z3="10.83585353"
                        zFract="0.54179268"/>
                  <atom elementType="N"
                        id="a62"
                        x3="7.14104409"
                        xFract="0.51499595"
                        y3="3.97912332"
                        yFract="0.48852151"
                        z3="10.19374694"
                        zFract="0.50968735"/>
                  <atom elementType="O"
                        id="a63"
                        x3="5.34418437"
                        xFract="0.24084993"
                        y3="5.33283943"
                        yFract="0.65471878"
                        z3="10.70705767"
                        zFract="0.53535288"/>
                  <atom elementType="O"
                        id="a64"
                        x3="5.10894769"
                        xFract="0.35542327"
                        y3="3.05894362"
                        yFract="0.37555"
                        z3="10.42713076"
                        zFract="0.52135654"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a2" 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 a4" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a14" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a20" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a15" order="S"/>
                  <bond atomRefs2="a8 a22" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a20" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a25" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a28" order="S"/>
                  <bond atomRefs2="a18 a35" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a42 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 a62" order="S"/>
                  <bond atomRefs2="a50 a59" order="S"/>
                  <bond atomRefs2="a51 a59" order="S"/>
                  <bond atomRefs2="a52 a59" order="S"/>
                  <bond atomRefs2="a53 a60" order="S"/>
                  <bond atomRefs2="a54 a60" order="S"/>
                  <bond atomRefs2="a55 a61" order="S"/>
                  <bond atomRefs2="a56 a61" order="S"/>
                  <bond atomRefs2="a57 a61" order="S"/>
                  <bond atomRefs2="a58 a62" order="S"/>
                  <bond atomRefs2="a58 a63" order="S"/>
                  <bond atomRefs2="a58 a64" order="S"/>
                  <bond atomRefs2="a59 a62" order="S"/>
                  <bond atomRefs2="a60 a64" order="S"/>
                  <bond atomRefs2="a60 a61" order="S"/>
               </bondArray>
               <formula concise="C4H9NO2Zn48">
                  <atomArray count="4 9 1 2 48" elementType="C H N O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3233.6803000000027</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
