<?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">2022-04-14T08:54:48.000+02:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.812900066</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.3786001206263405</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">27.086000443</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">63.77</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Zn"
                        id="a1"
                        x3="2.54068058"
                        xFract="0.1047458"
                        y3="3.70758178"
                        yFract="0.56017621"
                        z3="7.9927193"
                        zFract="0.29508673"/>
                  <atom elementType="Zr"
                        id="a2"
                        x3="2.27354248"
                        xFract="0.18932"
                        y3="1.99623562"
                        yFract="0.30160999"
                        z3="0.89546317"
                        zFract="0.03306"/>
                  <atom elementType="Zr"
                        id="a3"
                        x3="7.31076545"
                        xFract="0.66315001"
                        y3="5.66730801"
                        yFract="0.85627002"
                        z3="1.1736364"
                        zFract="0.04333"/>
                  <atom elementType="Zr"
                        id="a4"
                        x3="4.02049204"
                        xFract="0.2299"
                        y3="4.9802311"
                        yFract="0.75246"
                        z3="1.31881736"
                        zFract="0.04869"/>
                  <atom elementType="Zr"
                        id="a5"
                        x3="5.79617031"
                        xFract="0.70372999"
                        y3="2.03277042"
                        yFract="0.30713001"
                        z3="1.59671973"
                        zFract="0.05895"/>
                  <atom elementType="Zr"
                        id="a6"
                        x3="9.08645798"
                        xFract="0.88836998"
                        y3="6.15695177"
                        yFract="0.93024999"
                        z3="4.09350752"
                        zFract="0.15113001"/>
                  <atom elementType="Zr"
                        id="a7"
                        x3="4.04916829"
                        xFract="0.36219001"
                        y3="3.20949102"
                        yFract="0.48491999"
                        z3="4.37140988"
                        zFract="0.16139001"/>
                  <atom elementType="Zr"
                        id="a8"
                        x3="7.57179508"
                        xFract="0.92894"
                        y3="2.52241438"
                        yFract="0.38111001"
                        z3="4.51659057"
                        zFract="0.16675"/>
                  <atom elementType="Zr"
                        id="a9"
                        x3="5.79615043"
                        xFract="0.40277001"
                        y3="6.19355263"
                        yFract="0.93577999"
                        z3="4.7947638"
                        zFract="0.17702"/>
                  <atom elementType="Zr"
                        id="a10"
                        x3="5.83001175"
                        xFract="0.58808053"
                        y3="3.70031694"
                        yFract="0.55907857"
                        z3="7.27950915"
                        zFract="0.26875541"/>
                  <atom elementType="Zr"
                        id="a11"
                        x3="0.78719789"
                        xFract="0.06183322"
                        y3="0.74257717"
                        yFract="0.11219552"
                        z3="7.56154511"
                        zFract="0.27916802"/>
                  <atom elementType="Zr"
                        id="a12"
                        x3="4.29314083"
                        xFract="0.62253667"
                        y3="0.10523904"
                        yFract="0.0159005"
                        z3="7.74375047"
                        zFract="0.28589494"/>
                  <atom elementType="Zr"
                        id="a13"
                        x3="2.5060859"
                        xFract="0.27655529"
                        y3="1.26208485"
                        yFract="0.19068761"
                        z3="10.65873907"
                        zFract="0.39351469"/>
                  <atom elementType="Zr"
                        id="a14"
                        x3="7.6424737"
                        xFract="0.76558239"
                        y3="4.92428646"
                        yFract="0.74400736"
                        z3="10.63364497"
                        zFract="0.39258823"/>
                  <atom elementType="Zr"
                        id="a15"
                        x3="4.28944721"
                        xFract="0.32615885"
                        y3="4.19521713"
                        yFract="0.63385273"
                        z3="10.91200888"
                        zFract="0.40286527"/>
                  <atom elementType="Zr"
                        id="a16"
                        x3="6.16017542"
                        xFract="0.81274926"
                        y3="1.26422286"
                        yFract="0.19101064"
                        z3="11.18830667"
                        zFract="0.41306603"/>
                  <atom elementType="O"
                        id="a17"
                        x3="7.1168869"
                        xFract="0.91154998"
                        y3="1.83970581"
                        yFract="0.27796"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a18"
                        x3="4.27955617"
                        xFract="0.55093002"
                        y3="1.06764623"
                        yFract="0.16131"
                        z3="0.38624637"
                        zFract="0.01426"/>
                  <atom elementType="O"
                        id="a19"
                        x3="8.8273913"
                        xFract="0.98833001"
                        y3="4.24927295"
                        yFract="0.64201999"
                        z3="0.55228355"
                        zFract="0.02039"/>
                  <atom elementType="O"
                        id="a20"
                        x3="5.34119252"
                        xFract="0.30855"
                        y3="6.57293073"
                        yFract="0.99309999"
                        z3="1.09454528"
                        zFract="0.04041"/>
                  <atom elementType="O"
                        id="a21"
                        x3="5.99009753"
                        xFract="0.58450002"
                        y3="4.0746743"
                        yFract="0.61563999"
                        z3="1.39790848"
                        zFract="0.05161"/>
                  <atom elementType="O"
                        id="a22"
                        x3="9.31679878"
                        xFract="0.90472001"
                        y3="6.39833202"
                        yFract="0.96671998"
                        z3="1.93989935"
                        zFract="0.07162"/>
                  <atom elementType="O"
                        id="a23"
                        x3="3.79015682"
                        xFract="0.34211999"
                        y3="2.96135994"
                        yFract="0.44743002"
                        z3="2.10593653"
                        zFract="0.07775"/>
                  <atom elementType="O"
                        id="a24"
                        x3="7.7657261"
                        xFract="0.98150003"
                        y3="2.18930022"
                        yFract="0.33078"
                        z3="2.4921829"
                        zFract="0.09201"/>
                  <atom elementType="O"
                        id="a25"
                        x3="7.11683433"
                        xFract="0.61058998"
                        y3="6.00042197"
                        yFract="0.9066"
                        z3="3.19777321"
                        zFract="0.11806"/>
                  <atom elementType="O"
                        id="a26"
                        x3="4.27960432"
                        xFract="0.24998"
                        y3="5.22842877"
                        yFract="0.78996003"
                        z3="3.58429044"
                        zFract="0.13233"/>
                  <atom elementType="O"
                        id="a27"
                        x3="5.5657942"
                        xFract="0.68737"
                        y3="1.79145623"
                        yFract="0.27067"
                        z3="3.75032735"
                        zFract="0.13845999"/>
                  <atom elementType="O"
                        id="a28"
                        x3="2.07959549"
                        xFract="0.00759"
                        y3="4.11511401"
                        yFract="0.62175"
                        z3="4.29231876"
                        zFract="0.15847001"/>
                  <atom elementType="O"
                        id="a29"
                        x3="2.72846781"
                        xFract="0.28354001"
                        y3="1.6167914"
                        yFract="0.24428"
                        z3="4.5956817"
                        zFract="0.16967"/>
                  <atom elementType="O"
                        id="a30"
                        x3="6.05526995"
                        xFract="0.60377002"
                        y3="3.9405153"
                        yFract="0.59536999"
                        z3="5.13767229"
                        zFract="0.18967999"/>
                  <atom elementType="O"
                        id="a31"
                        x3="0.52855975"
                        xFract="0.04116"
                        y3="0.50354302"
                        yFract="0.07608"
                        z3="5.30398061"
                        zFract="0.19582"/>
                  <atom elementType="O"
                        id="a32"
                        x3="7.76570609"
                        xFract="0.68054003"
                        y3="6.35008243"
                        yFract="0.95942998"
                        z3="5.69022697"
                        zFract="0.21008"/>
                  <atom elementType="O"
                        id="a33"
                        x3="3.86917641"
                        xFract="0.3121209"
                        y3="3.53645399"
                        yFract="0.53432062"
                        z3="6.40800924"
                        zFract="0.23658012"/>
                  <atom elementType="O"
                        id="a34"
                        x3="7.8195331"
                        xFract="0.94625496"
                        y3="2.78575785"
                        yFract="0.42089841"
                        z3="6.78331692"
                        zFract="0.25043627"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.56932778"
                        xFract="0.38792418"
                        y3="5.93851583"
                        yFract="0.89724664"
                        z3="6.94814634"
                        zFract="0.25652168"/>
                  <atom elementType="O"
                        id="a36"
                        x3="5.62415863"
                        xFract="0.70485685"
                        y3="1.66813438"
                        yFract="0.25203738"
                        z3="7.47096655"
                        zFract="0.27582391"/>
                  <atom elementType="O"
                        id="a37"
                        x3="9.53901277"
                        xFract="0.98276055"
                        y3="5.77033908"
                        yFract="0.87183692"
                        z3="7.80319937"
                        zFract="0.28808976"/>
                  <atom elementType="O"
                        id="a38"
                        x3="2.75615224"
                        xFract="0.29743975"
                        y3="1.48080414"
                        yFract="0.22373377"
                        z3="8.32569942"
                        zFract="0.30738017"/>
                  <atom elementType="O"
                        id="a39"
                        x3="7.34112089"
                        xFract="0.74092109"
                        y3="4.65370887"
                        yFract="0.70312596"
                        z3="8.53325646"
                        zFract="0.31504306"/>
                  <atom elementType="O"
                        id="a40"
                        x3="7.35839528"
                        xFract="0.99945313"
                        y3="1.11451405"
                        yFract="0.16839123"
                        z3="9.57786464"
                        zFract="0.35360941"/>
                  <atom elementType="O"
                        id="a41"
                        x3="4.52122414"
                        xFract="0.64158045"
                        y3="0.30479668"
                        yFract="0.04605154"
                        z3="9.92552645"
                        zFract="0.36644489"/>
                  <atom elementType="O"
                        id="a42"
                        x3="2.30245244"
                        xFract="0.0878207"
                        y3="3.4581465"
                        yFract="0.52248919"
                        z3="10.10982529"
                        zFract="0.3732491"/>
                  <atom elementType="O"
                        id="a43"
                        x3="5.68447933"
                        xFract="0.41443289"
                        y3="5.80570126"
                        yFract="0.87717977"
                        z3="10.97177441"
                        zFract="0.40507178"/>
                  <atom elementType="O"
                        id="a44"
                        x3="6.31339611"
                        xFract="0.68073724"
                        y3="3.40023647"
                        yFract="0.5137396"
                        z3="11.141485"
                        zFract="0.4113374"/>
                  <atom elementType="O"
                        id="a45"
                        x3="9.43292954"
                        xFract="0.97890478"
                        y3="5.60837494"
                        yFract="0.84736586"
                        z3="11.53670333"
                        zFract="0.42592864"/>
                  <atom elementType="O"
                        id="a46"
                        x3="4.12201235"
                        xFract="0.44311272"
                        y3="2.23854068"
                        yFract="0.33821971"
                        z3="11.64134657"
                        zFract="0.42979201"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.11534901"
                        xFract="0.06562727"
                        y3="1.35602885"
                        yFract="0.20488155"
                        z3="12.08706838"
                        zFract="0.44624781"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a1 a33" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a23" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a3 a20" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a23" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a27" order="S"/>
                  <bond atomRefs2="a5 a24" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a32" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a30" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a28" order="S"/>
                  <bond atomRefs2="a7 a27" order="S"/>
                  <bond atomRefs2="a7 a29" order="S"/>
                  <bond atomRefs2="a7 a33" order="S"/>
                  <bond atomRefs2="a8 a34" order="S"/>
                  <bond atomRefs2="a8 a27" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a9 a30" order="S"/>
                  <bond atomRefs2="a9 a35" order="S"/>
                  <bond atomRefs2="a9 a32" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a9 a25" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a10 a34" order="S"/>
                  <bond atomRefs2="a10 a39" order="S"/>
                  <bond atomRefs2="a10 a30" order="S"/>
                  <bond atomRefs2="a10 a33" order="S"/>
                  <bond atomRefs2="a10 a36" order="S"/>
                  <bond atomRefs2="a11 a31" order="S"/>
                  <bond atomRefs2="a11 a38" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a38" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a41" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a46" order="S"/>
                  <bond atomRefs2="a13 a47" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a15 a44" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a46" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a40" order="S"/>
               </bondArray>
               <formula concise="O31ZnZr15">
                  <atomArray count="31 1 15" elementType="O Zn Zr"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1929.7503999999976</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/31O.Zn.15Zr">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16/rA:47ZnZrZrZrZrZrZrZrZrZrZrZrZrZrZrZrO1OO1OO3OO4OO3O3O3O1O1O4O1OO3OOOO0O3OO1O3O3OO3O1O3O1/rB:;;;;;;;;;;;;;;;s5;s2s5;s3;s3s4;s3s4s5;s3s6;s2s4s5s7;s5s8;s3s6s9;s4s7s9;s5s7s8;s7;s7;s7s8s9s10;s11;s6s9;s1s7s10;s8s10;s9s10;s10s12;;s11s12s13;s10s14;s16;s12s13s16;s1s13s15;s14s15;s14s15s16;s14;s13s15s16;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</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">378.0000</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">0.05</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>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE Zn 06Sep2000|PAW_PBE Zr_sv 04Jan2005|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="3">Zn Zr O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">65.39 91.22 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">12.00 12.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">1 15 31</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
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                        zFract="0.15847006"/>
                  <atom elementType="O"
                        id="a29"
                        x3="2.72847"
                        xFract="0.28354043"
                        y3="1.61679"
                        yFract="0.24427979"
                        z3="4.59568"
                        zFract="0.16966994"/>
                  <atom elementType="O"
                        id="a30"
                        x3="6.05527"
                        xFract="0.60376969"
                        y3="3.94052"
                        yFract="0.5953707"
                        z3="5.13767"
                        zFract="0.18967991"/>
                  <atom elementType="O"
                        id="a31"
                        x3="0.52856"
                        xFract="0.04116025"
                        y3="0.50354"
                        yFract="0.07607954"
                        z3="5.30398"
                        zFract="0.19581998"/>
                  <atom elementType="O"
                        id="a32"
                        x3="7.76571"
                        xFract="0.68054078"
                        y3="6.35008"
                        yFract="0.95942961"
                        z3="5.69023"
                        zFract="0.21008011"/>
                  <atom elementType="O"
                        id="a33"
                        x3="3.86918"
                        xFract="0.31212172"
                        y3="3.53645"
                        yFract="0.53432002"
                        z3="6.40801"
                        zFract="0.23658015"/>
                  <atom elementType="O"
                        id="a34"
                        x3="7.81953"
                        xFract="0.94625435"
                        y3="2.78576"
                        yFract="0.42089873"
                        z3="6.78332"
                        zFract="0.25043638"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.56933"
                        xFract="0.3879242"
                        y3="5.93852"
                        yFract="0.89724727"
                        z3="6.94815"
                        zFract="0.25652182"/>
                  <atom elementType="O"
                        id="a36"
                        x3="5.62416"
                        xFract="0.70485737"
                        y3="1.66813"
                        yFract="0.25203672"
                        z3="7.47097"
                        zFract="0.27582404"/>
                  <atom elementType="O"
                        id="a37"
                        x3="9.53901"
                        xFract="0.98276008"
                        y3="5.77034"
                        yFract="0.87183706"
                        z3="7.8032"
                        zFract="0.28808978"/>
                  <atom elementType="O"
                        id="a38"
                        x3="2.75615"
                        xFract="0.29743972"
                        y3="1.4808"
                        yFract="0.22373315"
                        z3="8.3257"
                        zFract="0.30738019"/>
                  <atom elementType="O"
                        id="a39"
                        x3="7.34112"
                        xFract="0.74092088"
                        y3="4.65371"
                        yFract="0.70312613"
                        z3="8.53326"
                        zFract="0.31504319"/>
                  <atom elementType="O"
                        id="a40"
                        x3="7.3584"
                        xFract="0.99945412"
                        y3="1.11451"
                        yFract="0.16839062"
                        z3="9.57786"
                        zFract="0.35360924"/>
                  <atom elementType="O"
                        id="a41"
                        x3="4.52122"
                        xFract="0.6415796"
                        y3="0.3048"
                        yFract="0.04605204"
                        z3="9.92553"
                        zFract="0.36644502"/>
                  <atom elementType="O"
                        id="a42"
                        x3="2.30245"
                        xFract="0.08782009"
                        y3="3.45815"
                        yFract="0.52248972"
                        z3="10.10983"
                        zFract="0.37324927"/>
                  <atom elementType="O"
                        id="a43"
                        x3="5.68448"
                        xFract="0.41443308"
                        y3="5.8057"
                        yFract="0.87717958"
                        z3="10.97177"
                        zFract="0.40507162"/>
                  <atom elementType="O"
                        id="a44"
                        x3="6.3134"
                        xFract="0.68073756"
                        y3="3.40024"
                        yFract="0.51374013"
                        z3="11.14149"
                        zFract="0.41133758"/>
                  <atom elementType="O"
                        id="a45"
                        x3="9.43293"
                        xFract="0.9789052"
                        y3="5.60837"
                        yFract="0.84736511"
                        z3="11.5367"
                        zFract="0.42592852"/>
                  <atom elementType="O"
                        id="a46"
                        x3="4.12201"
                        xFract="0.44311242"
                        y3="2.23854"
                        yFract="0.33821961"
                        z3="11.64135"
                        zFract="0.42979214"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.11535"
                        xFract="0.06562733"
                        y3="1.35603"
                        yFract="0.20488172"
                        z3="12.08707"
                        zFract="0.44624787"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a1 a33" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a23" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a3 a20" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a23" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a27" order="S"/>
                  <bond atomRefs2="a5 a24" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a32" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a30" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a28" order="S"/>
                  <bond atomRefs2="a7 a27" order="S"/>
                  <bond atomRefs2="a7 a29" order="S"/>
                  <bond atomRefs2="a7 a33" order="S"/>
                  <bond atomRefs2="a8 a34" order="S"/>
                  <bond atomRefs2="a8 a27" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a24" order="S"/>
                  <bond atomRefs2="a9 a30" order="S"/>
                  <bond atomRefs2="a9 a35" order="S"/>
                  <bond atomRefs2="a9 a32" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a9 a25" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a10 a34" order="S"/>
                  <bond atomRefs2="a10 a39" order="S"/>
                  <bond atomRefs2="a10 a30" order="S"/>
                  <bond atomRefs2="a10 a33" order="S"/>
                  <bond atomRefs2="a10 a36" order="S"/>
                  <bond atomRefs2="a11 a31" order="S"/>
                  <bond atomRefs2="a11 a38" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a12 a38" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a41" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a46" order="S"/>
                  <bond atomRefs2="a13 a47" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a14 a45" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a15 a44" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a46" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a40" order="S"/>
               </bondArray>
               <formula concise="O31ZnZr15">
                  <atomArray count="31 1 15" elementType="O Zn Zr"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1929.7503999999976</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/31O.Zn.15Zr">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16/rA:47ZnZrZrZrZrZrZrZrZrZrZrZrZrZrZrZrO1OO1OO3OO4OO3O3O3O1O1O4O1OO3OOOO0O3OO1O3O3OO3O1O3O1/rB:;;;;;;;;;;;;;;;s5;s2s5;s3;s3s4;s3s4s5;s3s6;s2s4s5s7;s5s8;s3s6s9;s4s7s9;s5s7s8;s7;s7;s7s8s9s10;s11;s6s9;s1s7s10;s8s10;s9s10;s10s12;;s11s12s13;s10s14;s16;s12s13s16;s1s13s15;s14s15;s14s15s16;s14;s13s15s16;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
