<?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 Oct 02 2019 15:04:02) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2020-11-11T02:11:16.000Z</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.477700786368178</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.105517126</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
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                        y3="0.0000"
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                        z3="10.99999997"
                        zFract="0.39138223"/>
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                        xFract="0.55290627"
                        y3="1.44331383"
                        yFract="0.22287536"
                        z3="15.10834192"
                        zFract="0.53755787"/>
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                        id="a3"
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                        xFract="0.88922681"
                        y3="3.61100781"
                        yFract="0.55760892"
                        z3="15.08027013"
                        zFract="0.53655907"/>
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                        z3="15.11461114"
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                        xFract="0.5559039"
                        y3="3.60003314"
                        yFract="0.55591422"
                        z3="15.06445853"
                        zFract="0.53599649"/>
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                        z3="15.10987086"
                        zFract="0.53761227"/>
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                        yFract="0.88994981"
                        z3="15.06531771"
                        zFract="0.53602706"/>
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                        xFract="0.22369613"
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                        yFract="0.22318499"
                        z3="15.080959"
                        zFract="0.53658358"/>
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                        y3="5.76136048"
                        yFract="0.88966465"
                        z3="15.07792726"
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                        yFract="0.00210617"
                        z3="17.1517631"
                        zFract="0.61026321"/>
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                        z3="17.19144275"
                        zFract="0.61167502"/>
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                        y3="2.15720914"
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                        z3="17.05940078"
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                        xFract="0.32382041"
                        y3="2.19608902"
                        yFract="0.3391183"
                        z3="17.40207505"
                        zFract="0.61916936"/>
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                        yFract="0.33298767"
                        z3="17.13732811"
                        zFract="0.60974961"/>
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                        zFract="0.61917994"/>
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                        xFract="0.99854606"
                        y3="0.00839261"
                        yFract="0.00129598"
                        z3="17.14097705"
                        zFract="0.60987944"/>
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                        xFract="0.88821109"
                        y3="1.43798029"
                        yFract="0.22205176"
                        z3="15.05059773"
                        zFract="0.53550332"/>
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                        id="a18"
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                        xFract="0.77777778"
                        y3="5.03679467"
                        yFract="0.77777778"
                        z3="13.03517246"
                        zFract="0.46379408"/>
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                        xFract="0.44444444"
                        y3="5.03679467"
                        yFract="0.77777778"
                        z3="13.03517246"
                        zFract="0.46379408"/>
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                        xFract="0.33333333"
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                        yFract="0.0000"
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                        zFract="0.39138223"/>
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                        yFract="0.0000"
                        z3="10.99999997"
                        zFract="0.39138223"/>
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                        id="a22"
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                        xFract="0.0000"
                        y3="2.15862626"
                        yFract="0.33333333"
                        z3="10.99999997"
                        zFract="0.39138223"/>
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                        id="a23"
                        x3="3.73885036"
                        xFract="0.33333333"
                        y3="2.15862626"
                        yFract="0.33333333"
                        z3="10.99999997"
                        zFract="0.39138223"/>
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                        id="a24"
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                        xFract="0.66666667"
                        y3="2.15862626"
                        yFract="0.33333333"
                        z3="10.99999997"
                        zFract="0.39138223"/>
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                        id="a25"
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                        xFract="0.0000"
                        y3="4.31725258"
                        yFract="0.66666667"
                        z3="10.99999997"
                        zFract="0.39138223"/>
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                        id="a26"
                        x3="4.98513385"
                        xFract="0.33333333"
                        y3="4.31725258"
                        yFract="0.66666667"
                        z3="10.99999997"
                        zFract="0.39138223"/>
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                        id="a27"
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                        xFract="0.66666667"
                        y3="4.31725258"
                        yFract="0.66666667"
                        z3="10.99999997"
                        zFract="0.39138223"/>
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                        id="a28"
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                        xFract="0.11111111"
                        y3="0.71954209"
                        yFract="0.11111111"
                        z3="13.03517246"
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                        xFract="0.11111111"
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                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a36 a41" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a46 a51" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
               </bondArray>
               <formula concise="CH12NNi36Na">
                  <atomArray count="1 12 1 36 1" elementType="C H N Ni Na"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2161.9695700000016</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/CH3N.Na.36Ni.9H/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H,2H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:45,46;47;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;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;49/CRV:1.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51NiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiH3H3H2H2HH3H3HCNNa3HH0HH/rB:;;s2;s2s3s4;s3;s4s5;s2s4;s3s5s6s7;s8;s2s10;s3;s10s11;s2s5s11s12s13;s13;s11s12s14;s2s3s5s12s14s16;s3s6s9;s5s7s9s18;s1;s20;s1s20;s20s21s22;s21s23;s22s23;s19s23s24s25;s18s19s24s26;s1s8s20s22;s2s8s20s21s23s28;s2s17s21s24s29;s4s8s22s23s25s28s29;s2s4s5s19s23s24s26s29s30s31;s3s5s17s18s19s24s27s30s32;s4s7s19s25s26s31s32;s4s5s7s13s14s15;s3s5s9s12s14s35;s13s14s35;s12s14s36;s15s35;s35s36;s36;s11s14s16;s10s11s13;s10;s13s15;s45;s23s25s26;s45;;s46;s46;/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">700</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">382.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</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">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</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="6">PAW_PBE Ni 06Sep2000|PAW_PBE H 15Jun2001|PAW_PBE C 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE Na 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="6">Ni H C N Na H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="6">58.690 1.000 12.011 14.001 22.990 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="6">10.000 1.000 4.000 5.000 1.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="6">36 8 1 1 1 4</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">7.477700787 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">3.738850393 6.475878843 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 28.105517126</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">5 5 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="13">1 2 3 4 5 6 7 8 9 10 11 12 13</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="3380">-21.9530 -13.6537 -11.7246 -11.5051 -9.5874 -8.5215 -8.1956 -7.0875 -7.0389 -6.9424 -6.8421 -6.7151 -6.6701 -6.3650 -5.7523 -5.7272 -5.5665 -5.5577 -5.5551 -5.5367 -5.5240 -5.5136 -5.3014 -4.8574 -4.8386 -4.8357 -4.8291 -4.8190 -4.7983 -4.2829 -4.2590 -4.2434 -4.2295 -4.2266 -4.2033 -4.1430 -4.1151 -4.1012 -4.0939 -4.0832 -4.0576 -3.8803 -3.8703 -3.8659 -3.8576 -3.8402 -3.8084 -3.7959 -3.7946 -3.7792 -3.7602 -3.7334 -3.7312 -3.7298 -3.7125 -3.6255 -3.6062 -3.5781 -3.5716 -3.5589 -3.4148 -3.3869 -3.3690 -3.3630 -3.3561 -3.3406 -3.3365 -3.2850 -3.1885 -3.0231 -3.0146 -2.9730 -2.9616 -2.9593 -2.9529 -2.9407 -2.9207 -2.9144 -2.9079 -2.9042 -2.8860 -2.8799 -2.8776 -2.8738 -2.8377 -2.8134 -2.7964 -2.7959 -2.7584 -2.7071 -2.6901 -2.6850 -2.6724 -2.6662 -2.6569 -2.6529 -2.6517 -2.6229 -2.6167 -2.5941 -2.5390 -2.5308 -2.5250 -2.5234 -2.5232 -2.5112 -2.5041 -2.4975 -2.4758 -2.4669 -2.4630 -2.4362 -2.3868 -2.3705 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3.9888 4.0713 4.1473 4.1855 4.2352 4.3627 4.6095 4.7534 4.8085 4.9336 4.9746 5.0242 5.1404 5.1962 5.3158 5.3916 5.4807 5.5049 5.6432 5.7392 5.8988 5.9773 6.0601 6.1328 6.2115 6.3056 -21.9530 -13.6533 -11.7240 -11.5051 -9.4727 -8.4895 -8.1423 -7.5759 -7.1329 -7.0064 -6.5916 -6.5142 -6.5002 -6.3351 -6.2330 -5.8450 -5.8247 -5.7848 -5.7703 -5.1923 -5.1600 -5.1503 -5.1267 -5.0186 -4.8893 -4.8708 -4.7377 -4.7077 -4.6867 -4.3014 -4.2649 -4.2453 -4.2174 -4.2070 -4.1675 -4.1493 -4.1388 -4.1245 -4.0624 -4.0530 -4.0303 -4.0169 -3.9927 -3.9717 -3.9339 -3.8903 -3.8641 -3.8420 -3.8177 -3.7736 -3.7303 -3.7086 -3.6760 -3.6469 -3.6329 -3.6032 -3.5675 -3.5252 -3.4802 -3.4657 -3.4344 -3.4001 -3.3865 -3.3800 -3.3555 -3.3447 -3.3192 -3.2773 -3.2619 -3.1539 -3.1386 -3.1193 -3.0154 -2.9927 -2.9757 -2.9524 -2.9502 -2.9355 -2.9225 -2.9117 -2.9023 -2.8782 -2.8623 -2.8368 -2.8257 -2.7980 -2.7893 -2.7602 -2.7479 -2.7259 -2.7052 -2.6718 -2.6608 -2.6405 -2.6334 -2.6240 -2.6135 -2.5921 -2.5797 -2.5670 -2.5602 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                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                        id="a51"
                        x3="2.20899"
                        xFract="0.17236756"
                        y3="1.59362"
                        yFract="0.24608552"
                        z3="20.1905"
                        zFract="0.71838209"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a20" order="S"/>
                  <bond atomRefs2="a1 a22" order="S"/>
                  <bond atomRefs2="a1 a28" order="S"/>
                  <bond atomRefs2="a2 a30" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a32" order="S"/>
                  <bond atomRefs2="a2 a29" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a3 a36" order="S"/>
                  <bond atomRefs2="a3 a17" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a18" order="S"/>
                  <bond atomRefs2="a3 a9" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a4 a34" order="S"/>
                  <bond atomRefs2="a4 a32" order="S"/>
                  <bond atomRefs2="a4 a31" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a35" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a36" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a35" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a9" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a32" order="S"/>
                  <bond atomRefs2="a5 a19" order="S"/>
                  <bond atomRefs2="a5 a33" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a34" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a8 a31" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a9 a36" order="S"/>
                  <bond atomRefs2="a9 a19" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a16" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a43" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a43" order="S"/>
                  <bond atomRefs2="a11 a42" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a44" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a45" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a13 a43" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a14 a35" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a14 a38" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a15 a35" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a15 a39" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a17 a33" order="S"/>
                  <bond atomRefs2="a17 a30" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a33" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a19 a26" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a33" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a20 a29" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a23 a47" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a29" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a25 a47" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a25 a31" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a47" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a27 a33" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a36 a41" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a48" order="S"/>
                  <bond atomRefs2="a46 a51" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
               </bondArray>
               <formula concise="CH12NNi36Na">
                  <atomArray count="1 12 1 36 1" elementType="C H N Ni Na"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2161.9695700000016</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/CH3N.Na.36Ni.9H/c1-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H,2H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:45,46;47;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;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;49/CRV:1.2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:51NiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiH3H2H2H2HH2H3H3CNNa3HH0HH/rB:;;s2;s2s3s4;s3;s4s5;s2s4;s3s5s6s7;s8;s2s10;s8s10;s10s11s12;s2s5s11s13;s12s13;s10s12;s2s3s5s14;s3s6s9;s5s7s9s18;s1;s20;s1s20;s20s21s22;s21s23;s22s23;s19s23s24s25;s18s19s24s26;s1s8s20s22;s2s8s20s21s23s28;s2s17s21s24s29;s4s8s22s23s25s28s29;s2s4s5s19s23s24s26s29s30s31;s3s5s17s18s19s24s27s30s32;s4s7s19s25s26s31s32;s4s5s7s13s14s15;s3s5s9s14s35;s13s14s35;s14s36;s15s35;s35s36;s36;s11s14;s10s11s13;s10s12s16;s13s15;s45;s23s25s26;s45;;s46;s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
