<?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">2022-04-12T20:40:03.000+02:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.236999989</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.236999988176948</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.340799332</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">120.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Zn"
                        id="a1"
                        x3="-0.46473445"
                        xFract="0.27260639"
                        y3="4.22202434"
                        yFract="0.67364568"
                        z3="9.60908641"
                        zFract="0.37919429"/>
                  <atom elementType="Zr"
                        id="a2"
                        x3="1.36073703"
                        xFract="0.27559501"
                        y3="1.0976769"
                        yFract="0.17513999"
                        z3="0.7386843"
                        zFract="0.02915"/>
                  <atom elementType="Zr"
                        id="a3"
                        x3="-0.44851297"
                        xFract="0.27559501"
                        y3="4.23138982"
                        yFract="0.67513999"
                        z3="0.7386843"
                        zFract="0.02915"/>
                  <atom elementType="Zr"
                        id="a4"
                        x3="4.97923703"
                        xFract="0.77559501"
                        y3="1.0976769"
                        yFract="0.17513999"
                        z3="0.7386843"
                        zFract="0.02915"/>
                  <atom elementType="Zr"
                        id="a5"
                        x3="3.16998703"
                        xFract="0.77559501"
                        y3="4.23138982"
                        yFract="0.67513999"
                        z3="0.7386843"
                        zFract="0.02915"/>
                  <atom elementType="Zr"
                        id="a6"
                        x3="-0.44849502"
                        xFract="0.10893"
                        y3="2.14223755"
                        yFract="0.34180501"
                        z3="3.69316809"
                        zFract="0.14574"/>
                  <atom elementType="Zr"
                        id="a7"
                        x3="-2.25774501"
                        xFract="0.10893"
                        y3="5.27595047"
                        yFract="0.84180501"
                        z3="3.69316809"
                        zFract="0.14574"/>
                  <atom elementType="Zr"
                        id="a8"
                        x3="3.17000498"
                        xFract="0.60893"
                        y3="2.14223755"
                        yFract="0.34180501"
                        z3="3.69316809"
                        zFract="0.14574"/>
                  <atom elementType="Zr"
                        id="a9"
                        x3="1.36075498"
                        xFract="0.60893"
                        y3="5.27595047"
                        yFract="0.84180501"
                        z3="3.69316809"
                        zFract="0.14574"/>
                  <atom elementType="Zr"
                        id="a10"
                        x3="3.16818777"
                        xFract="0.44136521"
                        y3="0.04498526"
                        yFract="0.00717763"
                        z3="6.69554347"
                        zFract="0.2642199"/>
                  <atom elementType="Zr"
                        id="a11"
                        x3="1.35278646"
                        xFract="0.44136521"
                        y3="3.18935256"
                        yFract="0.50887759"
                        z3="6.69554347"
                        zFract="0.2642199"/>
                  <atom elementType="Zr"
                        id="a12"
                        x3="6.78218005"
                        xFract="0.94110137"
                        y3="0.04948565"
                        yFract="0.00789569"
                        z3="6.63316557"
                        zFract="0.26175834"/>
                  <atom elementType="Zr"
                        id="a13"
                        x3="4.98139647"
                        xFract="0.94266121"
                        y3="3.18808666"
                        yFract="0.50867561"
                        z3="6.70477689"
                        zFract="0.26458427"/>
                  <atom elementType="Zr"
                        id="a14"
                        x3="1.35387581"
                        xFract="0.27433091"
                        y3="1.09371557"
                        yFract="0.17450794"
                        z3="9.63219443"
                        zFract="0.38010618"/>
                  <atom elementType="Zr"
                        id="a15"
                        x3="4.98300103"
                        xFract="0.77616169"
                        y3="1.09826071"
                        yFract="0.17523314"
                        z3="9.62810291"
                        zFract="0.37994472"/>
                  <atom elementType="Zr"
                        id="a16"
                        x3="3.17237462"
                        xFract="0.77616169"
                        y3="4.23435763"
                        yFract="0.67561352"
                        z3="9.62810291"
                        zFract="0.37994472"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.16996883"
                        xFract="0.44226"
                        y3="0.05311643"
                        yFract="0.008475"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a18"
                        x3="1.36071883"
                        xFract="0.44226"
                        y3="3.18682935"
                        yFract="0.508475"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a19"
                        x3="6.78846882"
                        xFract="0.94226"
                        y3="0.05311643"
                        yFract="0.008475"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a20"
                        x3="4.97921883"
                        xFract="0.94226"
                        y3="3.18682935"
                        yFract="0.508475"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a21"
                        x3="-0.44849502"
                        xFract="0.10893"
                        y3="2.14223755"
                        yFract="0.34180501"
                        z3="1.4773686"
                        zFract="0.0583"/>
                  <atom elementType="O"
                        id="a22"
                        x3="-2.25774501"
                        xFract="0.10893"
                        y3="5.27595047"
                        yFract="0.84180501"
                        z3="1.4773686"
                        zFract="0.0583"/>
                  <atom elementType="O"
                        id="a23"
                        x3="3.17000498"
                        xFract="0.60893"
                        y3="2.14223755"
                        yFract="0.34180501"
                        z3="1.4773686"
                        zFract="0.0583"/>
                  <atom elementType="O"
                        id="a24"
                        x3="1.36075498"
                        xFract="0.60893"
                        y3="5.27595047"
                        yFract="0.84180501"
                        z3="1.4773686"
                        zFract="0.0583"/>
                  <atom elementType="O"
                        id="a25"
                        x3="1.36073703"
                        xFract="0.27559501"
                        y3="1.0976769"
                        yFract="0.17513999"
                        z3="2.95448379"
                        zFract="0.11659"/>
                  <atom elementType="O"
                        id="a26"
                        x3="-0.44851297"
                        xFract="0.27559501"
                        y3="4.23138982"
                        yFract="0.67513999"
                        z3="2.95448379"
                        zFract="0.11659"/>
                  <atom elementType="O"
                        id="a27"
                        x3="4.97923703"
                        xFract="0.77559501"
                        y3="1.0976769"
                        yFract="0.17513999"
                        z3="2.95448379"
                        zFract="0.11659"/>
                  <atom elementType="O"
                        id="a28"
                        x3="3.16998703"
                        xFract="0.77559501"
                        y3="4.23138982"
                        yFract="0.67513999"
                        z3="2.95448379"
                        zFract="0.11659"/>
                  <atom elementType="O"
                        id="a29"
                        x3="3.16996883"
                        xFract="0.44226"
                        y3="0.05311643"
                        yFract="0.008475"
                        z3="4.4318524"
                        zFract="0.17489"/>
                  <atom elementType="O"
                        id="a30"
                        x3="1.36071883"
                        xFract="0.44226"
                        y3="3.18682935"
                        yFract="0.508475"
                        z3="4.4318524"
                        zFract="0.17489"/>
                  <atom elementType="O"
                        id="a31"
                        x3="6.78846882"
                        xFract="0.94226"
                        y3="0.05311643"
                        yFract="0.008475"
                        z3="4.4318524"
                        zFract="0.17489"/>
                  <atom elementType="O"
                        id="a32"
                        x3="4.97921883"
                        xFract="0.94226"
                        y3="3.18682935"
                        yFract="0.508475"
                        z3="4.4318524"
                        zFract="0.17489"/>
                  <atom elementType="O"
                        id="a33"
                        x3="-0.44663742"
                        xFract="0.09930902"
                        y3="2.01842255"
                        yFract="0.32204969"
                        z3="5.9664015"
                        zFract="0.23544646"/>
                  <atom elementType="O"
                        id="a34"
                        x3="-2.36404319"
                        xFract="0.09930902"
                        y3="5.33946676"
                        yFract="0.85193936"
                        z3="5.9664015"
                        zFract="0.23544646"/>
                  <atom elementType="O"
                        id="a35"
                        x3="3.17091478"
                        xFract="0.60909762"
                        y3="2.14276282"
                        yFract="0.34188882"
                        z3="5.82225771"
                        zFract="0.22975825"/>
                  <atom elementType="O"
                        id="a36"
                        x3="1.46323361"
                        xFract="0.6278105"
                        y3="5.33511654"
                        yFract="0.85124526"
                        z3="5.95793209"
                        zFract="0.23511224"/>
                  <atom elementType="O"
                        id="a37"
                        x3="1.55076495"
                        xFract="0.31060545"
                        y3="1.20738957"
                        yFract="0.19264521"
                        z3="7.52631344"
                        zFract="0.29700379"/>
                  <atom elementType="O"
                        id="a38"
                        x3="4.80206412"
                        xFract="0.75848336"
                        y3="1.19005738"
                        yFract="0.18987977"
                        z3="7.51657117"
                        zFract="0.29661934"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.16140438"
                        xFract="0.75848336"
                        y3="4.0317634"
                        yFract="0.64328857"
                        z3="7.51657117"
                        zFract="0.29661934"/>
                  <atom elementType="O"
                        id="a40"
                        x3="-0.44142849"
                        xFract="0.42607788"
                        y3="6.10539959"
                        yFract="0.97414788"
                        z3="9.01225078"
                        zFract="0.35564193"/>
                  <atom elementType="O"
                        id="a41"
                        x3="1.17795115"
                        xFract="0.42607788"
                        y3="3.30055179"
                        yFract="0.52662"
                        z3="9.01225078"
                        zFract="0.35564193"/>
                  <atom elementType="O"
                        id="a42"
                        x3="6.80237765"
                        xFract="0.94482254"
                        y3="0.0611467"
                        yFract="0.00975627"
                        z3="8.65717069"
                        zFract="0.34162974"/>
                  <atom elementType="O"
                        id="a43"
                        x3="5.15157594"
                        xFract="0.9740148"
                        y3="3.28633978"
                        yFract="0.5243524"
                        z3="8.97921626"
                        zFract="0.35433832"/>
                  <atom elementType="O"
                        id="a44"
                        x3="-0.45113084"
                        xFract="0.0791836"
                        y3="1.77393622"
                        yFract="0.28304064"
                        z3="10.54688832"
                        zFract="0.41620188"/>
                  <atom elementType="O"
                        id="a45"
                        x3="-2.57802124"
                        xFract="0.0791836"
                        y3="5.45781844"
                        yFract="0.87082298"
                        z3="10.54688832"
                        zFract="0.41620188"/>
                  <atom elementType="O"
                        id="a46"
                        x3="3.17234231"
                        xFract="0.60936063"
                        y3="2.14358705"
                        yFract="0.34202033"
                        z3="10.27447625"
                        zFract="0.40545194"/>
                  <atom elementType="O"
                        id="a47"
                        x3="1.71194466"
                        xFract="0.67363263"
                        y3="5.47870997"
                        yFract="0.87415633"
                        z3="10.55283885"
                        zFract="0.4164367"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a40" order="S"/>
                  <bond atomRefs2="a1 a41" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a23" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a25" order="S"/>
                  <bond atomRefs2="a3 a24" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a3 a18" order="S"/>
                  <bond atomRefs2="a3 a26" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a4 a23" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a24" order="S"/>
                  <bond atomRefs2="a5 a20" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a6 a33" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a30" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a7 a34" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a25" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a8 a27" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a8 a32" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a8 a35" order="S"/>
                  <bond atomRefs2="a9 a36" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a9 a28" order="S"/>
                  <bond atomRefs2="a9 a30" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a10 a29" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a10 a38" order="S"/>
                  <bond atomRefs2="a11 a41" order="S"/>
                  <bond atomRefs2="a11 a35" order="S"/>
                  <bond atomRefs2="a11 a36" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a30" order="S"/>
                  <bond atomRefs2="a11 a37" order="S"/>
                  <bond atomRefs2="a11 a39" order="S"/>
                  <bond atomRefs2="a12 a38" order="S"/>
                  <bond atomRefs2="a12 a31" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a13 a43" order="S"/>
                  <bond atomRefs2="a13 a32" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a46" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a46" order="S"/>
                  <bond atomRefs2="a15 a38" order="S"/>
                  <bond atomRefs2="a16 a43" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a47" order="S"/>
                  <bond atomRefs2="a16 a39" 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:47ZnZrZrZrZrZrZrZrZrZrZrZrZrZrZrZrOO3O1OO3OO4O3O3O4OO3OO4O1OOO1O4OO3O4O3O1O4OO3O1O0O3O1/rB:;;;;;;;;;;;;;;;s2s4;s2s3s5;s4;s4s5;s2s3s6;s3s7;s2s4s5s8;s3s5s9;s2s6s8;s3s6s7s9;s4s8;s5s8s9;s8s10;s6s8s9s11;s12;s8s13;s6s11;s7;s8s10s11s13;s9s11;s10s11s14;s10s12s13s15;s11s13s16;s1;s1s11s14s16;s12s15;s13s15s16;s14;;s14s15s16;s16;/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">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="7">1 2 3 4 5 6 7</array>
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                        yFract="0.00847557"
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                        zFract="0.0000"/>
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                        yFract="0.17514048"
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                        zFract="0.23511216"/>
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                        y3="0.06115"
                        yFract="0.0097568"
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                        zFract="0.35433847"/>
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                        yFract="0.3420208"
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                        zFract="0.40545209"/>
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                        yFract="0.87415634"
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                        zFract="0.41643675"/>
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               <bondArray>
                  <bond atomRefs2="a1 a40" order="S"/>
                  <bond atomRefs2="a1 a41" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a23" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a25" order="S"/>
                  <bond atomRefs2="a3 a21" order="S"/>
                  <bond atomRefs2="a3 a24" order="S"/>
                  <bond atomRefs2="a3 a22" order="S"/>
                  <bond atomRefs2="a3 a18" order="S"/>
                  <bond atomRefs2="a3 a26" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a20" order="S"/>
                  <bond atomRefs2="a4 a23" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a23" order="S"/>
                  <bond atomRefs2="a5 a24" order="S"/>
                  <bond atomRefs2="a5 a20" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a6 a33" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a30" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a7 a34" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a8 a25" order="S"/>
                  <bond atomRefs2="a8 a27" order="S"/>
                  <bond atomRefs2="a8 a32" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a8 a35" order="S"/>
                  <bond atomRefs2="a9 a36" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a9 a28" order="S"/>
                  <bond atomRefs2="a9 a30" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a10 a35" order="S"/>
                  <bond atomRefs2="a10 a29" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a10 a38" order="S"/>
                  <bond atomRefs2="a11 a41" order="S"/>
                  <bond atomRefs2="a11 a35" order="S"/>
                  <bond atomRefs2="a11 a36" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a11 a30" order="S"/>
                  <bond atomRefs2="a11 a37" order="S"/>
                  <bond atomRefs2="a11 a39" order="S"/>
                  <bond atomRefs2="a12 a38" order="S"/>
                  <bond atomRefs2="a12 a31" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a13 a43" order="S"/>
                  <bond atomRefs2="a13 a32" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a14 a46" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a46" order="S"/>
                  <bond atomRefs2="a15 a38" order="S"/>
                  <bond atomRefs2="a16 a43" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a47" order="S"/>
                  <bond atomRefs2="a16 a39" 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:47ZnZrZrZrZrZrZrZrZrZrZrZrZrZrZrZrOO3O1OO3OO4O3O3O4OO3OO4O1OOO1O4OO3O4O3O1O4OO3O1O0O3O1/rB:;;;;;;;;;;;;;;;s2s4;s2s3s5;s4;s4s5;s2s3s6;s3s7;s2s4s5s8;s3s5s9;s2s6s8;s3s6s7s9;s4s8;s5s8s9;s8s10;s6s8s9s11;s12;s8s13;s6s11;s7;s8s10s11s13;s9s11;s10s11s14;s10s12s13s15;s11s13s16;s1;s1s11s14s16;s12s15;s13s15s16;s14;;s14s15s16;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
