<?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">2018-07-15T17:22:04.000+02:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.9177339285804935</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.435458275235348</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">26.724349071106026</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">89.46</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">89.56</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">77.15</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="H"
                        id="a1"
                        x3="2.55201156"
                        xFract="0.28025465"
                        y3="3.51274248"
                        yFract="0.54041986"
                        z3="20.64899296"
                        zFract="0.77225987"/>
                  <atom elementType="H"
                        id="a2"
                        x3="3.96845337"
                        xFract="0.44218675"
                        y3="5.49627656"
                        yFract="0.85445668"
                        z3="22.58122101"
                        zFract="0.8443133"/>
                  <atom elementType="H"
                        id="a3"
                        x3="0.9628342"
                        xFract="0.09285902"
                        y3="1.31798522"
                        yFract="0.18783413"
                        z3="24.11650937"
                        zFract="0.90229967"/>
                  <atom elementType="H"
                        id="a4"
                        x3="2.45072247"
                        xFract="0.28056075"
                        y3="2.945393"
                        yFract="0.44515552"
                        z3="25.97984374"
                        zFract="0.9718008"/>
                  <atom elementType="H"
                        id="a5"
                        x3="3.78926223"
                        xFract="0.47641145"
                        y3="4.24910688"
                        yFract="0.67469118"
                        z3="1.78393596"
                        zFract="0.06616985"/>
                  <atom elementType="H"
                        id="a6"
                        x3="5.43402575"
                        xFract="0.74841635"
                        y3="4.02093746"
                        yFract="0.62120759"
                        z3="20.11104061"
                        zFract="0.75191254"/>
                  <atom elementType="H"
                        id="a7"
                        x3="6.83742057"
                        xFract="0.92695859"
                        y3="5.50295645"
                        yFract="0.85487492"
                        z3="22.52467431"
                        zFract="0.84202391"/>
                  <atom elementType="H"
                        id="a8"
                        x3="3.97485957"
                        xFract="0.60266318"
                        y3="1.30064609"
                        yFract="0.18430947"
                        z3="24.14749635"
                        zFract="0.90327931"/>
                  <atom elementType="H"
                        id="a9"
                        x3="5.42981772"
                        xFract="0.78476672"
                        y3="2.93011027"
                        yFract="0.44202005"
                        z3="25.95226635"
                        zFract="0.9705907"/>
                  <atom elementType="H"
                        id="a10"
                        x3="6.75267165"
                        xFract="0.97680085"
                        y3="4.26288592"
                        yFract="0.67613247"
                        z3="1.82108606"
                        zFract="0.06738042"/>
                  <atom elementType="H"
                        id="a11"
                        x3="4.71356038"
                        xFract="0.59905431"
                        y3="4.79688014"
                        yFract="0.74747818"
                        z3="17.45536493"
                        zFract="0.65251177"/>
                  <atom elementType="H"
                        id="a12"
                        x3="1.42386356"
                        xFract="0.06961657"
                        y3="4.09894835"
                        yFract="0.63697311"
                        z3="17.527913"
                        zFract="0.65548369"/>
                  <atom elementType="H"
                        id="a13"
                        x3="2.28486579"
                        xFract="0.1709206"
                        y3="5.26550632"
                        yFract="0.82317616"
                        z3="16.9998366"
                        zFract="0.63557202"/>
                  <atom elementType="H"
                        id="a14"
                        x3="4.74084448"
                        xFract="0.54995352"
                        y3="6.21232621"
                        yFract="0.97362143"
                        z3="16.85214447"
                        zFract="0.6298173"/>
                  <atom elementType="O"
                        id="a15"
                        x3="1.12026229"
                        xFract="0.14133098"
                        y3="0.8491041"
                        yFract="0.11748418"
                        z3="19.27012348"
                        zFract="0.72097217"/>
                  <atom elementType="O"
                        id="a16"
                        x3="0.84579705"
                        xFract="0.10317681"
                        y3="0.9926488"
                        yFract="0.15598015"
                        z3="2.22176643"
                        zFract="0.08300639"/>
                  <atom elementType="O"
                        id="a17"
                        x3="2.50028667"
                        xFract="0.29950095"
                        y3="2.76657816"
                        yFract="0.42084758"
                        z3="21.37048333"
                        zFract="0.79932507"/>
                  <atom elementType="O"
                        id="a18"
                        x3="3.95296041"
                        xFract="0.46766349"
                        y3="4.74720366"
                        yFract="0.73440552"
                        z3="23.30981955"
                        zFract="0.87164256"/>
                  <atom elementType="O"
                        id="a19"
                        x3="1.01891793"
                        xFract="0.145056"
                        y3="0.17725722"
                        yFract="0.004916"
                        z3="25.31207731"
                        zFract="0.94713227"/>
                  <atom elementType="O"
                        id="a20"
                        x3="2.56664331"
                        xFract="0.24068399"
                        y3="4.63008382"
                        yFract="0.71934067"
                        z3="19.73041238"
                        zFract="0.73779019"/>
                  <atom elementType="O"
                        id="a21"
                        x3="2.32614091"
                        xFract="0.33007402"
                        y3="1.64402406"
                        yFract="0.26124498"
                        z3="0.24169118"
                        zFract="0.00876539"/>
                  <atom elementType="O"
                        id="a22"
                        x3="0.84180253"
                        xFract="0.00907822"
                        y3="3.4288671"
                        yFract="0.54411995"
                        z3="2.39252085"
                        zFract="0.08919064"/>
                  <atom elementType="O"
                        id="a23"
                        x3="2.57966797"
                        xFract="0.40997341"
                        y3="0.22977167"
                        yFract="0.01640661"
                        z3="21.47453994"
                        zFract="0.80342854"/>
                  <atom elementType="O"
                        id="a24"
                        x3="0.95969126"
                        xFract="0.06720063"
                        y3="1.98977638"
                        yFract="0.29558301"
                        z3="23.37621074"
                        zFract="0.87454023"/>
                  <atom elementType="O"
                        id="a25"
                        x3="2.43800372"
                        xFract="0.24754637"
                        y3="3.76442516"
                        yFract="0.57626231"
                        z3="25.3626652"
                        zFract="0.9486368"/>
                  <atom elementType="O"
                        id="a26"
                        x3="3.75315434"
                        xFract="0.42367578"
                        y3="5.4916705"
                        yFract="0.87381723"
                        z3="0.60832239"
                        zFract="0.02207416"/>
                  <atom elementType="O"
                        id="a27"
                        x3="3.58884446"
                        xFract="0.54064013"
                        y3="1.31913641"
                        yFract="0.19180827"
                        z3="19.26027288"
                        zFract="0.72041517"/>
                  <atom elementType="O"
                        id="a28"
                        x3="3.80646035"
                        xFract="0.60379496"
                        y3="0.98850687"
                        yFract="0.15457343"
                        z3="2.25053947"
                        zFract="0.08390516"/>
                  <atom elementType="O"
                        id="a29"
                        x3="5.35381386"
                        xFract="0.77985899"
                        y3="2.82103017"
                        yFract="0.42891255"
                        z3="21.28230314"
                        zFract="0.79584881"/>
                  <atom elementType="O"
                        id="a30"
                        x3="6.86074574"
                        xFract="0.95813568"
                        y3="4.77617566"
                        yFract="0.73835823"
                        z3="23.2632445"
                        zFract="0.8697221"/>
                  <atom elementType="O"
                        id="a31"
                        x3="3.97811301"
                        xFract="0.64542454"
                        y3="0.17327848"
                        yFract="0.00354112"
                        z3="25.33485283"
                        zFract="0.94780668"/>
                  <atom elementType="O"
                        id="a32"
                        x3="5.42016559"
                        xFract="0.71716688"
                        y3="4.78973306"
                        yFract="0.7443465"
                        z3="19.45137406"
                        zFract="0.7271629"/>
                  <atom elementType="O"
                        id="a33"
                        x3="5.28908003"
                        xFract="0.83071984"
                        y3="1.64976971"
                        yFract="0.26143804"
                        z3="0.24370566"
                        zFract="0.00866185"/>
                  <atom elementType="O"
                        id="a34"
                        x3="3.79967373"
                        xFract="0.50894653"
                        y3="3.43285418"
                        yFract="0.54404737"
                        z3="2.37982727"
                        zFract="0.08853716"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.34918554"
                        xFract="0.87679282"
                        y3="0.26855026"
                        yFract="0.02206472"
                        z3="21.30874298"
                        zFract="0.79705415"/>
                  <atom elementType="O"
                        id="a36"
                        x3="3.95831921"
                        xFract="0.57431294"
                        y3="1.98343883"
                        yFract="0.29380849"
                        z3="23.41443245"
                        zFract="0.87579048"/>
                  <atom elementType="O"
                        id="a37"
                        x3="5.41271587"
                        xFract="0.75135703"
                        y3="3.74036343"
                        yFract="0.57173939"
                        z3="25.32333738"
                        zFract="0.94698799"/>
                  <atom elementType="O"
                        id="a38"
                        x3="6.71853472"
                        xFract="0.92467945"
                        y3="5.498854"
                        yFract="0.87423912"
                        z3="0.61005705"
                        zFract="0.02195988"/>
                  <atom elementType="O"
                        id="a39"
                        x3="4.6460018"
                        xFract="0.73100507"
                        y3="1.03038086"
                        yFract="0.14620927"
                        z3="18.5133906"
                        zFract="0.69242666"/>
                  <atom elementType="O"
                        id="a40"
                        x3="4.12252724"
                        xFract="0.47188478"
                        y3="5.51535186"
                        yFract="0.86242054"
                        z3="17.14229696"
                        zFract="0.64077128"/>
                  <atom elementType="O"
                        id="a41"
                        x3="1.35562499"
                        xFract="0.02272863"
                        y3="5.02837529"
                        yFract="0.78539305"
                        z3="17.23473822"
                        zFract="0.64443832"/>
                  <atom elementType="Ni"
                        id="a42"
                        x3="0.96966182"
                        xFract="0.090036"
                        y3="1.48037243"
                        yFract="0.21625066"
                        z3="21.33595807"
                        zFract="0.79823394"/>
                  <atom elementType="Ni"
                        id="a43"
                        x3="2.45488148"
                        xFract="0.2685006"
                        y3="3.33487889"
                        yFract="0.50966661"
                        z3="23.31113986"
                        zFract="0.87190151"/>
                  <atom elementType="Ni"
                        id="a44"
                        x3="7.05117838"
                        xFract="0.95137175"
                        y3="5.87570571"
                        yFract="0.91712133"
                        z3="19.35838337"
                        zFract="0.7234931"/>
                  <atom elementType="Ni"
                        id="a45"
                        x3="3.96229438"
                        xFract="0.5943062"
                        y3="1.52132813"
                        yFract="0.22199535"
                        z3="21.39615354"
                        zFract="0.80030284"/>
                  <atom elementType="Co"
                        id="a46"
                        x3="0.85106444"
                        xFract="0.12682022"
                        y3="0.4363902"
                        yFract="0.06896483"
                        z3="0.41856617"
                        zFract="0.01557513"/>
                  <atom elementType="Co"
                        id="a47"
                        x3="2.32215471"
                        xFract="0.30566111"
                        y3="2.22314133"
                        yFract="0.3517779"
                        z3="2.1823685"
                        zFract="0.0813392"/>
                  <atom elementType="Co"
                        id="a48"
                        x3="3.81142266"
                        xFract="0.62671556"
                        y3="0.44980118"
                        yFract="0.07035684"
                        z3="0.44624397"
                        zFract="0.01643145"/>
                  <atom elementType="Co"
                        id="a49"
                        x3="5.28462328"
                        xFract="0.80622471"
                        y3="2.22894153"
                        yFract="0.3519791"
                        z3="2.18511456"
                        zFract="0.08126306"/>
                  <atom elementType="Fe"
                        id="a50"
                        x3="5.41443094"
                        xFract="0.76934091"
                        y3="3.32369745"
                        yFract="0.50729765"
                        z3="23.16507806"
                        zFract="0.86625841"/>
                  <atom elementType="Fe"
                        id="a51"
                        x3="3.92222447"
                        xFract="0.44612377"
                        y3="5.13195246"
                        yFract="0.7939119"
                        z3="25.30947165"
                        zFract="0.94644131"/>
                  <atom elementType="Fe"
                        id="a52"
                        x3="6.88193246"
                        xFract="0.94591224"
                        y3="5.14617987"
                        yFract="0.79547303"
                        z3="25.29457359"
                        zFract="0.94570436"/>
                  <atom elementType="Fe"
                        id="a53"
                        x3="3.83756731"
                        xFract="0.40709444"
                        y3="5.89673915"
                        yFract="0.92099544"
                        z3="19.64358609"
                        zFract="0.73435749"/>
               </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="a16 a47" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a17 a45" order="S"/>
                  <bond atomRefs2="a18 a43" order="S"/>
                  <bond atomRefs2="a18 a50" order="S"/>
                  <bond atomRefs2="a18 a51" order="S"/>
                  <bond atomRefs2="a20 a53" order="S"/>
                  <bond atomRefs2="a21 a47" order="S"/>
                  <bond atomRefs2="a21 a48" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a24 a42" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a25 a51" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a47" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a29 a50" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a30 a52" order="S"/>
                  <bond atomRefs2="a30 a50" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a53" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a48" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a45" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a37 a52" 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:53HHHHHHHHHH0HHHHO0OO4O4O0O1O3O1OO3O3O0O1O3OO3O0O3OO3O1O4O3O0O1OONiNiNiNiCoCoCoCoFeFeFeFe/rB:;;;;;;;;;;;;;;;s1;s2;;;;;;s3;s4;;;;;s7;;s6;;s5;;s8;s9;;s27;s11s14;s12s13;s17s23s24;s17s18s24s25s36;s32;s17s23s29s35s36;s16s21;s16s21s22s28s34;s21s28s33;s28s33s34;s18s29s30s36;s18s25s37;s30s37;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>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
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                        y3="5.50296"
                        yFract="0.85487547"
                        z3="22.52469"
                        zFract="0.8420245"/>
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                        yFract="0.57173561"
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                        id="a38"
                        x3="6.71867"
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                        y3="5.49904"
                        yFract="0.87426881"
                        z3="0.60997"
                        zFract="0.0219566"/>
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                        id="a39"
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                        y3="1.03041"
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                        id="a40"
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                        id="a41"
                        x3="1.35552"
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                        y3="5.02831"
                        yFract="0.78538259"
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                        zFract="0.64444139"/>
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                        id="a42"
                        x3="0.96955"
                        xFract="0.09001413"
                        y3="1.48045"
                        yFract="0.21626306"
                        z3="21.33595"
                        zFract="0.79823364"/>
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                        id="a43"
                        x3="2.45486"
                        xFract="0.26849775"
                        y3="3.33486"
                        yFract="0.50966367"
                        z3="23.31107"
                        zFract="0.8718989"/>
                  <atom elementType="Ni"
                        id="a44"
                        x3="7.05104"
                        xFract="0.9513529"
                        y3="5.87559"
                        yFract="0.91710304"
                        z3="19.35825"
                        zFract="0.72348813"/>
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                        id="a45"
                        x3="3.9622"
                        xFract="0.59428826"
                        y3="1.52138"
                        yFract="0.22200364"
                        z3="21.39615"
                        zFract="0.80030271"/>
                  <atom elementType="Co"
                        id="a46"
                        x3="0.85095"
                        xFract="0.12679054"
                        y3="0.43665"
                        yFract="0.06900583"
                        z3="0.41905"
                        zFract="0.01559322"/>
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                        id="a47"
                        x3="2.32207"
                        xFract="0.30565521"
                        y3="2.22292"
                        yFract="0.35174258"
                        z3="2.18244"
                        zFract="0.0813419"/>
                  <atom elementType="Co"
                        id="a48"
                        x3="3.81142"
                        xFract="0.62671431"
                        y3="0.44982"
                        yFract="0.07035975"
                        z3="0.44634"
                        zFract="0.01643504"/>
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                        id="a49"
                        x3="5.28474"
                        xFract="0.80625368"
                        y3="2.2287"
                        yFract="0.35194056"
                        z3="2.18513"
                        zFract="0.08126365"/>
                  <atom elementType="Fe"
                        id="a50"
                        x3="5.41446"
                        xFract="0.76934655"
                        y3="3.32368"
                        yFract="0.50729493"
                        z3="23.1650"
                        zFract="0.86625549"/>
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                        id="a51"
                        x3="3.9223"
                        xFract="0.44613355"
                        y3="5.13203"
                        yFract="0.79392422"
                        z3="25.30949"
                        zFract="0.94644199"/>
                  <atom elementType="Fe"
                        id="a52"
                        x3="6.88188"
                        xFract="0.94590111"
                        y3="5.14624"
                        yFract="0.79548268"
                        z3="25.29452"
                        zFract="0.94570235"/>
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                        id="a53"
                        x3="3.83762"
                        xFract="0.40710444"
                        y3="5.89671"
                        yFract="0.92099075"
                        z3="19.64362"
                        zFract="0.73435876"/>
               </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="a16 a47" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a17 a45" order="S"/>
                  <bond atomRefs2="a18 a43" order="S"/>
                  <bond atomRefs2="a18 a50" order="S"/>
                  <bond atomRefs2="a18 a51" order="S"/>
                  <bond atomRefs2="a20 a53" order="S"/>
                  <bond atomRefs2="a21 a47" order="S"/>
                  <bond atomRefs2="a21 a48" order="S"/>
                  <bond atomRefs2="a21 a46" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a24 a42" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a25 a51" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a47" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a29 a50" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a30 a52" order="S"/>
                  <bond atomRefs2="a30 a50" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a32 a53" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a33 a48" order="S"/>
                  <bond atomRefs2="a34 a49" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a45" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a37 a52" 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:53HHHHHHHHHH0HHHHO0OO4O4O0O1O3O1OO3O3O0O1O3OO3O0O3OO3O1O4O3O0O1OONiNiNiNiCoCoCoCoFeFeFeFe/rB:;;;;;;;;;;;;;;;s1;s2;;;;;;s3;s4;;;;;s7;;s6;;s5;;s8;s9;;s27;s11s14;s12s13;s17s23s24;s17s18s24s25s36;s32;s17s23s29s35s36;s16s21;s16s21s22s28s34;s21s28s33;s28s33s34;s18s29s30s36;s18s25s37;s30s37;s20s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
