<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        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">5.3.3</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Dez12 (build Sep 16 2013 14:52:01) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2018-07-25T14:01:55.000+02:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.948304349156703</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.472464450442872</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.938109495395672</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">89.04</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">89.61</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">77.19</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="2.62658482"
                        xFract="0.29004257"
                        y3="3.67601874"
                        yFract="0.55102971"
                        z3="20.02535373"
                        zFract="0.77119434"/>
                  <atom elementType="H"
                        id="a2"
                        x3="4.07502247"
                        xFract="0.46127799"
                        y3="5.54815991"
                        yFract="0.84434696"
                        z3="22.0027193"
                        zFract="0.84695072"/>
                  <atom elementType="H"
                        id="a3"
                        x3="0.82961791"
                        xFract="0.07045909"
                        y3="1.44962371"
                        yFract="0.19333055"
                        z3="23.42767937"
                        zFract="0.90296465"/>
                  <atom elementType="H"
                        id="a4"
                        x3="2.37895875"
                        xFract="0.26418914"
                        y3="3.17825636"
                        yFract="0.46407562"
                        z3="25.28436011"
                        zFract="0.97409655"/>
                  <atom elementType="H"
                        id="a5"
                        x3="3.6993807"
                        xFract="0.45653067"
                        y3="4.33027165"
                        yFract="0.68292174"
                        z3="1.63387561"
                        zFract="0.06185816"/>
                  <atom elementType="H"
                        id="a6"
                        x3="5.40311631"
                        xFract="0.73768903"
                        y3="4.19093775"
                        yFract="0.63290127"
                        z3="19.50255358"
                        zFract="0.75080728"/>
                  <atom elementType="H"
                        id="a7"
                        x3="6.74767383"
                        xFract="0.91500669"
                        y3="5.43819644"
                        yFract="0.82670248"
                        z3="21.81665105"
                        zFract="0.83969501"/>
                  <atom elementType="H"
                        id="a8"
                        x3="4.08652201"
                        xFract="0.62115711"
                        y3="1.36960972"
                        yFract="0.17995369"
                        z3="23.47903658"
                        zFract="0.9048335"/>
                  <atom elementType="H"
                        id="a9"
                        x3="5.60335409"
                        xFract="0.81006536"
                        y3="3.08339353"
                        yFract="0.44856111"
                        z3="25.20047511"
                        zFract="0.9707554"/>
                  <atom elementType="H"
                        id="a10"
                        x3="6.86239745"
                        xFract="0.98776261"
                        y3="4.34359349"
                        yFract="0.68401437"
                        z3="1.90379124"
                        zFract="0.07213656"/>
                  <atom elementType="H"
                        id="a11"
                        x3="4.70002666"
                        xFract="0.59342932"
                        y3="4.91398699"
                        yFract="0.75138396"
                        z3="17.05773555"
                        zFract="0.65640143"/>
                  <atom elementType="H"
                        id="a12"
                        x3="1.35895972"
                        xFract="0.05843892"
                        y3="4.21049678"
                        yFract="0.6408349"
                        z3="16.87200722"
                        zFract="0.64953464"/>
                  <atom elementType="H"
                        id="a13"
                        x3="2.38401781"
                        xFract="0.18918577"
                        y3="5.31172408"
                        yFract="0.8157265"
                        z3="16.48886624"
                        zFract="0.63446781"/>
                  <atom elementType="H"
                        id="a14"
                        x3="4.7158532"
                        xFract="0.5508255"
                        y3="6.12028545"
                        yFract="0.94404385"
                        z3="16.07450531"
                        zFract="0.6182123"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.11402777"
                        xFract="0.1389973"
                        y3="0.97884059"
                        yFract="0.1259905"
                        z3="18.6972266"
                        zFract="0.72066337"/>
                  <atom elementType="O"
                        id="a16"
                        x3="0.86784993"
                        xFract="0.10983191"
                        y3="0.91417987"
                        yFract="0.14116119"
                        z3="2.28358656"
                        zFract="0.08780672"/>
                  <atom elementType="O"
                        id="a17"
                        x3="2.56862142"
                        xFract="0.31089397"
                        y3="2.86045944"
                        yFract="0.42077277"
                        z3="20.6976176"
                        zFract="0.79730515"/>
                  <atom elementType="O"
                        id="a18"
                        x3="4.01050437"
                        xFract="0.47972629"
                        y3="4.76662756"
                        yFract="0.71946351"
                        z3="22.68758122"
                        zFract="0.87353974"/>
                  <atom elementType="O"
                        id="a19"
                        x3="0.89666184"
                        xFract="0.12639544"
                        y3="0.25703591"
                        yFract="0.00261461"
                        z3="24.54859604"
                        zFract="0.94645628"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.57798754"
                        xFract="0.2398742"
                        y3="4.79380845"
                        yFract="0.72943046"
                        z3="19.20179254"
                        zFract="0.73918465"/>
                  <atom elementType="O"
                        id="a21"
                        x3="2.24451049"
                        xFract="0.31233337"
                        y3="1.70881401"
                        yFract="0.26993557"
                        z3="0.26320213"
                        zFract="0.009667"/>
                  <atom elementType="O"
                        id="a22"
                        x3="0.86089867"
                        xFract="0.01132916"
                        y3="3.47267233"
                        yFract="0.54634121"
                        z3="2.4294273"
                        zFract="0.09284316"/>
                  <atom elementType="O"
                        id="a23"
                        x3="2.61578453"
                        xFract="0.41438621"
                        y3="0.34271833"
                        yFract="0.02146179"
                        z3="20.92737672"
                        zFract="0.80674023"/>
                  <atom elementType="O"
                        id="a24"
                        x3="0.89004873"
                        xFract="0.05476986"
                        y3="2.14121844"
                        yFract="0.30403622"
                        z3="22.69594696"
                        zFract="0.87458919"/>
                  <atom elementType="O"
                        id="a25"
                        x3="2.42919467"
                        xFract="0.24287465"
                        y3="3.97164311"
                        yFract="0.59080411"
                        z3="24.62282502"
                        zFract="0.94840482"/>
                  <atom elementType="O"
                        id="a26"
                        x3="3.65716746"
                        xFract="0.40682168"
                        y3="5.46888358"
                        yFract="0.86508074"
                        z3="0.51264335"
                        zFract="0.01836576"/>
                  <atom elementType="O"
                        id="a27"
                        x3="3.59659253"
                        xFract="0.54011178"
                        y3="1.41047627"
                        yFract="0.19403737"
                        z3="18.61692895"
                        zFract="0.71736926"/>
                  <atom elementType="O"
                        id="a28"
                        x3="3.8064261"
                        xFract="0.60072321"
                        y3="0.99765706"
                        yFract="0.15359014"
                        z3="2.43882374"
                        zFract="0.09365616"/>
                  <atom elementType="O"
                        id="a29"
                        x3="5.32473731"
                        xFract="0.76796182"
                        y3="3.02754364"
                        yFract="0.44658105"
                        z3="20.79024872"
                        zFract="0.80072869"/>
                  <atom elementType="O"
                        id="a30"
                        x3="6.84118529"
                        xFract="0.95700874"
                        y3="4.73578701"
                        yFract="0.71429162"
                        z3="22.52399157"
                        zFract="0.86712631"/>
                  <atom elementType="O"
                        id="a31"
                        x3="5.44733593"
                        xFract="0.65630544"
                        y3="6.44920368"
                        yFract="0.98297959"
                        z3="24.51354005"
                        zFract="0.94350211"/>
                  <atom elementType="O"
                        id="a32"
                        x3="5.39099949"
                        xFract="0.70775078"
                        y3="4.93563189"
                        yFract="0.75195413"
                        z3="18.82285507"
                        zFract="0.72442886"/>
                  <atom elementType="O"
                        id="a33"
                        x3="5.39553744"
                        xFract="0.84221637"
                        y3="1.70828076"
                        yFract="0.26920017"
                        z3="0.29691236"
                        zFract="0.01084139"/>
                  <atom elementType="O"
                        id="a34"
                        x3="3.78397483"
                        xFract="0.50228884"
                        y3="3.49175777"
                        yFract="0.54916015"
                        z3="2.20282208"
                        zFract="0.08398482"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.27895297"
                        xFract="0.85943865"
                        y3="0.42050517"
                        yFract="0.03371092"
                        z3="20.64945947"
                        zFract="0.79590027"/>
                  <atom elementType="O"
                        id="a36"
                        x3="4.03592451"
                        xFract="0.58388436"
                        y3="2.1368206"
                        yFract="0.30256184"
                        z3="22.81221015"
                        zFract="0.87894777"/>
                  <atom elementType="O"
                        id="a37"
                        x3="5.5205754"
                        xFract="0.76642103"
                        y3="3.87561035"
                        yFract="0.57511311"
                        z3="24.54954221"
                        zFract="0.94547804"/>
                  <atom elementType="O"
                        id="a38"
                        x3="6.85486229"
                        xFract="0.94438739"
                        y3="5.47049495"
                        yFract="0.86445948"
                        z3="0.6866289"
                        zFract="0.02494657"/>
                  <atom elementType="O"
                        id="a39"
                        x3="4.62408441"
                        xFract="0.72446864"
                        y3="1.11814097"
                        yFract="0.14871507"
                        z3="17.8439565"
                        zFract="0.68759095"/>
                  <atom elementType="O"
                        id="a40"
                        x3="4.12431279"
                        xFract="0.47661946"
                        y3="5.44944017"
                        yFract="0.83726116"
                        z3="16.46061346"
                        zFract="0.63327749"/>
                  <atom elementType="O"
                        id="a41"
                        x3="1.41913057"
                        xFract="0.03227387"
                        y3="5.16796861"
                        yFract="0.79282321"
                        z3="16.68812175"
                        zFract="0.64222219"/>
                  <atom elementType="Ni"
                        id="a42"
                        x3="0.9614374"
                        xFract="0.08757753"
                        y3="1.62503088"
                        yFract="0.22530041"
                        z3="20.70979254"
                        zFract="0.79812217"/>
                  <atom elementType="Ni"
                        id="a43"
                        x3="2.45113544"
                        xFract="0.26849909"
                        y3="3.42554373"
                        yFract="0.5073253"
                        z3="22.64491331"
                        zFract="0.87226446"/>
                  <atom elementType="Ni"
                        id="a44"
                        x3="0.83195559"
                        xFract="0.1233888"
                        y3="0.42785275"
                        yFract="0.06698293"
                        z3="0.42317328"
                        zFract="0.01618548"/>
                  <atom elementType="Ni"
                        id="a45"
                        x3="7.07785538"
                        xFract="0.95168373"
                        y3="5.98320168"
                        yFract="0.9178476"
                        z3="18.67916326"
                        zFract="0.71858072"/>
                  <atom elementType="Co"
                        id="a46"
                        x3="4.03596303"
                        xFract="0.60406303"
                        y3="1.63690587"
                        yFract="0.22638669"
                        z3="20.84637049"
                        zFract="0.80326316"/>
                  <atom elementType="Co"
                        id="a47"
                        x3="5.43508736"
                        xFract="0.76988993"
                        y3="3.4358551"
                        yFract="0.50838077"
                        z3="22.65226245"
                        zFract="0.87242658"/>
                  <atom elementType="Co"
                        id="a48"
                        x3="3.92136401"
                        xFract="0.44373226"
                        y3="5.28971455"
                        yFract="0.79945437"
                        z3="24.5712335"
                        zFract="0.94605358"/>
                  <atom elementType="Co"
                        id="a49"
                        x3="6.91013398"
                        xFract="0.94834079"
                        y3="5.23633831"
                        yFract="0.79038295"
                        z3="24.60083896"
                        zFract="0.94708829"/>
                  <atom elementType="Fe"
                        id="a50"
                        x3="2.32177704"
                        xFract="0.30602159"
                        y3="2.18689289"
                        yFract="0.34273247"
                        z3="2.16665769"
                        zFract="0.08294812"/>
                  <atom elementType="Fe"
                        id="a51"
                        x3="3.84542711"
                        xFract="0.63297076"
                        y3="0.35209521"
                        yFract="0.0542796"
                        z3="0.50505698"
                        zFract="0.0192401"/>
                  <atom elementType="Fe"
                        id="a52"
                        x3="5.30983756"
                        xFract="0.80725824"
                        y3="2.21934479"
                        yFract="0.34728621"
                        z3="2.1799673"
                        zFract="0.08333482"/>
                  <atom elementType="Fe"
                        id="a53"
                        x3="3.83268386"
                        xFract="0.40235982"
                        y3="6.07124377"
                        yFract="0.93173198"
                        z3="19.12102263"
                        zFract="0.73572713"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a3 a24" order="S"/>
                  <bond atomRefs2="a4 a25" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a6 a32" order="S"/>
                  <bond atomRefs2="a7 a30" order="S"/>
                  <bond atomRefs2="a8 a36" order="S"/>
                  <bond atomRefs2="a9 a37" order="S"/>
                  <bond atomRefs2="a11 a40" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a13 a41" order="S"/>
                  <bond atomRefs2="a14 a40" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a50" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a17 a46" order="S"/>
                  <bond atomRefs2="a18 a43" order="S"/>
                  <bond atomRefs2="a18 a48" order="S"/>
                  <bond atomRefs2="a18 a47" order="S"/>
                  <bond atomRefs2="a20 a53" order="S"/>
                  <bond atomRefs2="a21 a51" order="S"/>
                  <bond atomRefs2="a21 a50" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a24 a42" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a25 a48" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a51" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a29 a47" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a30 a49" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a32 a45" order="S"/>
                  <bond atomRefs2="a32 a53" order="S"/>
                  <bond atomRefs2="a33 a51" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a50" order="S"/>
                  <bond atomRefs2="a35 a46" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
               </bondArray>
               <formula concise="H14Co4Fe4Ni4O27">
                  <atomArray count="14 4 4 4 27" elementType="H Co Fe Ni O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1125.8701999999998</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/4Co.4Fe.4Ni.O2.2H2O.9HO.14O.H/c;;;;;;;;;;;;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;2*1H2;9*1H;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:46;47;48;49;50;51;52;53;42;43;44;45;27,39;40;41;17;18;24;25;34;32;30;36;37;15;16;19;20;21;22;23;26;28;29;31;33;35;38;10/E:;;;;;;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;;;;;;1.1,2.1;;;9*1.1;;;;;;;;;;;;;;;/rA:53HHHHHHHHHH0HHHHO1OO4O4O0O1O3O1OO3O3O0O1O3OO3OO3OO3O1O4O4O0O1OONiNiNiNiCoCoCoCoFeFeFeFe/rB:;;;;;;;;;;;;;;;s1;s2;;;;;;s3;s4;;;;;s7;;s6;;s5;;s8;s9;;s27;s11s14;s12s13;s15s17s23s24;s17s18s24s25s36;s16s21;s32;s17s23s29s35s36;s18s29s30s36s37;s18s25s31s37;s30s31s37;s16s21s22s28s34;s21s28s33;s28s33s34;s20s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">600</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-03</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.5E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.0820</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">284.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">-5</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.00</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ldau">
                  <scalar>true</scalar>
               </parameter>
               <parameter dictRef="v:ldautype">
                  <scalar dataType="xsd:integer">2</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>
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                        zFract="0.83969497"/>
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                        x3="4.08652"
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                        yFract="0.17995373"
                        z3="23.47904"
                        zFract="0.90483363"/>
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                        yFract="0.86508018"
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                        zFract="0.01836563"/>
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                        yFract="0.19403796"
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                        zFract="0.7173693"/>
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                        yFract="0.7142921"
                        z3="22.52399"
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                        yFract="0.75195382"
                        z3="18.82286"
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                        z3="0.29691"
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                        z3="2.20282"
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                        yFract="0.30256175"
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                        yFract="0.57511306"
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                        id="a38"
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                        y3="5.4705"
                        yFract="0.86446028"
                        z3="0.68663"
                        zFract="0.02494661"/>
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                        id="a39"
                        x3="4.62408"
                        xFract="0.72446793"
                        y3="1.11814"
                        yFract="0.14871491"
                        z3="17.84396"
                        zFract="0.68759109"/>
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                        id="a40"
                        x3="4.12431"
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                        yFract="0.83726114"
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                        zFract="0.63327736"/>
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                        id="a41"
                        x3="1.41913"
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                        y3="5.16797"
                        yFract="0.79282343"
                        z3="16.68812"
                        zFract="0.64222212"/>
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                        id="a42"
                        x3="0.96144"
                        xFract="0.087578"
                        y3="1.62503"
                        yFract="0.22530027"
                        z3="20.70979"
                        zFract="0.79812207"/>
                  <atom elementType="Ni"
                        id="a43"
                        x3="2.45114"
                        xFract="0.2685"
                        y3="3.42554"
                        yFract="0.50732471"
                        z3="22.64491"
                        zFract="0.87226433"/>
                  <atom elementType="Ni"
                        id="a44"
                        x3="0.83196"
                        xFract="0.12338965"
                        y3="0.42785"
                        yFract="0.0669825"
                        z3="0.42317"
                        zFract="0.01618535"/>
                  <atom elementType="Ni"
                        id="a45"
                        x3="7.07786"
                        xFract="0.95168457"
                        y3="5.9832"
                        yFract="0.91784734"
                        z3="18.67916"
                        zFract="0.71858059"/>
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                        id="a46"
                        x3="4.03596"
                        xFract="0.60406236"
                        y3="1.63691"
                        yFract="0.22638735"
                        z3="20.84637"
                        zFract="0.80326314"/>
                  <atom elementType="Co"
                        id="a47"
                        x3="5.43509"
                        xFract="0.76989057"
                        y3="3.43585"
                        yFract="0.50837997"
                        z3="22.65226"
                        zFract="0.87242649"/>
                  <atom elementType="Co"
                        id="a48"
                        x3="3.92137"
                        xFract="0.44373344"
                        y3="5.28971"
                        yFract="0.79945365"
                        z3="24.57123"
                        zFract="0.94605345"/>
                  <atom elementType="Co"
                        id="a49"
                        x3="6.91013"
                        xFract="0.94834006"
                        y3="5.23634"
                        yFract="0.79038322"
                        z3="24.60084"
                        zFract="0.94708833"/>
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                        id="a50"
                        x3="2.32178"
                        xFract="0.3060222"
                        y3="2.18689"
                        yFract="0.34273201"
                        z3="2.16666"
                        zFract="0.08294821"/>
                  <atom elementType="Fe"
                        id="a51"
                        x3="3.84543"
                        xFract="0.63297144"
                        y3="0.35209"
                        yFract="0.05427877"
                        z3="0.50506"
                        zFract="0.01924022"/>
                  <atom elementType="Fe"
                        id="a52"
                        x3="5.30984"
                        xFract="0.80725883"
                        y3="2.21934"
                        yFract="0.34728545"
                        z3="2.17997"
                        zFract="0.08333493"/>
                  <atom elementType="Fe"
                        id="a53"
                        x3="3.83268"
                        xFract="0.40235932"
                        y3="6.07124"
                        yFract="0.93173139"
                        z3="19.12102"
                        zFract="0.73572703"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a17" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a3 a24" order="S"/>
                  <bond atomRefs2="a4 a25" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a6 a32" order="S"/>
                  <bond atomRefs2="a7 a30" order="S"/>
                  <bond atomRefs2="a8 a36" order="S"/>
                  <bond atomRefs2="a9 a37" order="S"/>
                  <bond atomRefs2="a11 a40" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a13 a41" order="S"/>
                  <bond atomRefs2="a14 a40" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a50" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a17 a46" order="S"/>
                  <bond atomRefs2="a18 a43" order="S"/>
                  <bond atomRefs2="a18 a48" order="S"/>
                  <bond atomRefs2="a18 a47" order="S"/>
                  <bond atomRefs2="a20 a53" order="S"/>
                  <bond atomRefs2="a21 a51" order="S"/>
                  <bond atomRefs2="a21 a50" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a24 a42" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a25 a48" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a51" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a28 a50" order="S"/>
                  <bond atomRefs2="a29 a47" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a30 a49" order="S"/>
                  <bond atomRefs2="a30 a47" order="S"/>
                  <bond atomRefs2="a31 a48" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a32 a45" order="S"/>
                  <bond atomRefs2="a32 a53" order="S"/>
                  <bond atomRefs2="a33 a51" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a50" order="S"/>
                  <bond atomRefs2="a35 a46" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
               </bondArray>
               <formula concise="H14Co4Fe4Ni4O27">
                  <atomArray count="14 4 4 4 27" elementType="H Co Fe Ni O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1125.8701999999998</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/4Co.4Fe.4Ni.O2.2H2O.9HO.14O.H/c;;;;;;;;;;;;1-2;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;;;;;;;;;;;2*1H2;9*1H;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:46;47;48;49;50;51;52;53;42;43;44;45;27,39;40;41;17;18;24;25;34;32;30;36;37;15;16;19;20;21;22;23;26;28;29;31;33;35;38;10/E:;;;;;;;;;;;;(1,2);;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:;;;;;;;;;;;;1.1,2.1;;;9*1.1;;;;;;;;;;;;;;;/rA:53HHHHHHHHHH0HHHHO1OO4O4O0O1O3O1OO3O3O0O1O3OO3OO3OO3O1O4O4O0O1OONiNiNiNiCoCoCoCoFeFeFeFe/rB:;;;;;;;;;;;;;;;s1;s2;;;;;;s3;s4;;;;;s7;;s6;;s5;;s8;s9;;s27;s11s14;s12s13;s15s17s23s24;s17s18s24s25s36;s16s21;s32;s17s23s29s35s36;s18s29s30s36s37;s18s25s31s37;s30s31s37;s16s21s22s28s34;s21s28s33;s28s33s34;s20s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
