<?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">2022-10-24T11:02:11.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.013049400289608</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.013050090773081</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.516792</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ni"
                        id="a1"
                        x3="2.52698619"
                        xFract="0.337104"
                        y3="1.46259919"
                        yFract="0.337104"
                        z3="1.23219299"
                        zFract="0.049995"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="3.77322319"
                        xFract="0.337104"
                        y3="3.63195819"
                        yFract="0.837104"
                        z3="1.38530299"
                        zFract="0.049995"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="5.02883019"
                        xFract="0.837104"
                        y3="1.46259919"
                        yFract="0.337104"
                        z3="1.38530299"
                        zFract="0.049995"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.27506719"
                        xFract="0.837104"
                        y3="3.63195819"
                        yFract="0.837104"
                        z3="1.53841299"
                        zFract="0.049995"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="3.651403"
                        xFract="0.487103"
                        y3="2.11340255"
                        yFract="0.487103"
                        z3="3.37573758"
                        zFract="0.149995"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.897645"
                        xFract="0.487104"
                        y3="4.28276155"
                        yFract="0.987103"
                        z3="3.52884788"
                        zFract="0.149995"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.153252"
                        xFract="0.987104"
                        y3="2.11340255"
                        yFract="0.487103"
                        z3="3.52884788"
                        zFract="0.149995"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="7.399484"
                        xFract="0.987103"
                        y3="4.28276155"
                        yFract="0.987103"
                        z3="3.68195758"
                        zFract="0.149995"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="1.02874867"
                        xFract="0.13697253"
                        y3="0.59773251"
                        yFract="0.13776708"
                        z3="5.19206762"
                        zFract="0.24896372"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.27908602"
                        xFract="0.13687306"
                        y3="2.77509549"
                        yFract="0.63961186"
                        z3="5.34473445"
                        zFract="0.24891607"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="3.53198733"
                        xFract="0.63696426"
                        y3="0.60023226"
                        yFract="0.13834323"
                        z3="5.36019993"
                        zFract="0.24968744"/>
                  <atom elementType="Ni"
                        id="a12"
                        x3="4.79099786"
                        xFract="0.64037593"
                        y3="2.76211066"
                        yFract="0.63661908"
                        z3="5.50872908"
                        zFract="0.24943898"/>
                  <atom elementType="Ni"
                        id="a13"
                        x3="2.12606934"
                        xFract="0.27867745"
                        y3="1.2736108"
                        yFract="0.29354542"
                        z3="7.40239491"
                        zFract="0.35225628"/>
                  <atom elementType="Ni"
                        id="a14"
                        x3="3.42697797"
                        xFract="0.29315654"
                        y3="3.4120245"
                        yFract="0.78641306"
                        z3="7.5541289"
                        zFract="0.35207956"/>
                  <atom elementType="Ni"
                        id="a15"
                        x3="4.63626777"
                        xFract="0.78583891"
                        y3="1.22577687"
                        yFract="0.28252052"
                        z3="7.63436668"
                        zFract="0.35615771"/>
                  <atom elementType="Ni"
                        id="a16"
                        x3="5.91594397"
                        xFract="0.78597911"
                        y3="3.45212323"
                        yFract="0.79565513"
                        z3="7.7923201"
                        zFract="0.35619565"/>
                  <atom elementType="H"
                        id="a17"
                        x3="3.32206302"
                        xFract="0.45205188"
                        y3="1.84540866"
                        yFract="0.42533501"
                        z3="8.36786417"
                        zFract="0.39475912"/>
                  <atom elementType="H"
                        id="a18"
                        x3="4.67658266"
                        xFract="0.45242265"
                        y3="4.2000288"
                        yFract="0.96803452"
                        z3="8.53717276"
                        zFract="0.39490581"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.84080227"
                        xFract="0.94260921"
                        y3="1.95706488"
                        yFract="0.45106985"
                        z3="8.55364113"
                        zFract="0.39610816"/>
                  <atom elementType="H"
                        id="a20"
                        x3="3.98636052"
                        xFract="0.78255261"
                        y3="0.1230893"
                        yFract="0.02836997"
                        z3="8.59810377"
                        zFract="0.40697313"/>
                  <atom elementType="H"
                        id="a21"
                        x3="0.78245776"
                        xFract="0.1069124"
                        y3="0.43083261"
                        yFract="0.09929952"
                        z3="8.16418615"
                        zFract="0.39484925"/>
                  <atom elementType="H"
                        id="a22"
                        x3="2.12691235"
                        xFract="0.10658955"
                        y3="2.77397371"
                        yFract="0.63935331"
                        z3="8.33215641"
                        zFract="0.39498055"/>
                  <atom elementType="H"
                        id="a23"
                        x3="4.60870662"
                        xFract="0.61471999"
                        y3="2.66825599"
                        yFract="0.61498719"
                        z3="8.49815007"
                        zFract="0.39585083"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a21" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a23" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="H7Ni16">
                  <atomArray count="7 16" elementType="H Ni"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">939.0944</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/16Ni.7H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23/rA:23NiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiH3H2H2HHH2H3/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;s9s10s11;s10s12s13;s11s12s13s14;s12s14s15;s13s14s15;s14s16;s15s16;s15;s13;s13s14;s14s15s16;/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">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.1E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">167.0000</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">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</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="2">PAW_PBE Ni 06Sep2000|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="2">Ni H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">58.690 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">10.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">16 7</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points file</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">7 7 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="25">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</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2800">-12.5942 -8.7543 -8.1335 -7.7737 -7.7030 -7.0536 -6.9176 -6.6134 -5.6546 -5.5755 -5.0766 -5.0748 -5.0562 -4.9677 -4.9614 -4.9503 -4.5979 -4.5938 -4.5884 -4.5185 -4.5124 -4.5098 -4.4367 -3.9670 -3.9636 -3.9170 -3.3653 -3.3017 -3.2495 -3.2369 -3.2355 -3.2162 -3.1595 -3.1324 -3.1222 -3.0756 -3.0747 -3.0178 -2.9514 -2.9495 -2.9120 -2.9028 -2.8987 -2.8152 -2.8144 -2.8084 -2.7988 -2.7443 -2.7346 -2.5527 -2.5140 -2.5115 -2.3293 -2.3149 -2.2336 -2.0745 -2.0624 -2.0199 -2.0149 -1.9432 -1.9250 -1.9112 -1.8261 -1.8072 -1.7402 -1.6766 -1.6750 -1.5649 -1.4876 -1.4675 -1.4661 -1.4565 -1.4450 -1.4328 -1.4242 -1.4174 -1.4168 -1.4146 -1.2894 -1.2849 -1.2623 -1.2617 -1.2614 -1.2533 -1.2356 -1.2281 -1.2220 -0.8061 0.1902 0.2972 0.3590 0.5467 0.6694 1.4056 1.4676 1.4748 1.6385 1.9284 1.9308 1.9402 2.2080 3.4118 4.7065 4.8779 4.9462 4.9850 5.5269 5.6464 5.7045 5.7481 6.4681 6.5480 -12.4466 -8.6009 -8.4941 -8.2714 -7.3550 -6.8947 -6.6966 -6.4761 -5.5385 -5.4477 -5.1636 -5.0193 -5.0033 -4.9551 -4.9026 -4.8816 -4.5594 -4.5432 -4.5355 -4.4814 -4.4390 -4.4279 -4.3839 -3.9720 -3.9590 -3.9135 -3.4344 -3.4054 -3.3094 -3.2944 -3.2266 -3.1830 -3.1681 -3.1611 -3.1484 -3.1024 -3.0821 -3.0392 -3.0140 -2.9479 -2.9067 -2.8986 -2.8794 -2.8715 -2.8682 -2.8577 -2.8200 -2.8062 -2.7474 -2.6805 -2.5953 -2.4988 -2.4269 -2.3747 -2.3027 -2.1256 -2.1123 -2.0604 -2.0086 -1.9988 -1.9694 -1.9168 -1.9084 -1.8609 -1.8501 -1.8126 -1.6741 -1.6103 -1.5829 -1.5768 -1.5614 -1.5471 -1.5332 -1.4957 -1.4861 -1.4677 -1.4580 -1.4363 -1.4294 -1.4079 -1.3877 -1.3346 -1.3342 -1.3242 -1.3027 -1.0990 -1.0468 -0.5602 -0.2608 0.1960 0.3432 0.3721 0.8364 1.1375 1.3133 1.4000 1.8420 2.3717 2.5597 2.5711 2.6879 3.5675 4.8685 4.9976 5.0453 5.1595 5.6478 5.7282 5.7713 5.9392 6.7194 6.7544 -12.0139 -9.4568 -8.4952 -8.0977 -7.3922 -6.4827 -6.2500 -6.0357 -5.5796 -5.2802 -5.0999 -4.9839 -4.8646 -4.8392 -4.7330 -4.7072 -4.4735 -4.3875 -4.3838 -4.3784 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                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="69"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="1"
                          units="nonsi2:ev.angstrom-1">-0.014144 -0.005183 0.127045 -0.011998 -0.006586 0.131546 -0.011094 -0.004505 0.127196 -0.013216 -0.007931 0.126950 0.022922 0.000360 -0.125092 0.023547 0.002478 -0.123265 0.015204 0.007961 -0.145298 -0.014126 0.027941 -0.146786 0.003388 0.000016 -0.001353 0.000640 -0.003143 0.002012 0.001439 -0.005748 0.004493 0.001299 0.000345 -0.004402 -0.007261 0.004140 -0.000746 -0.000158 -0.001620 -0.003272 -0.003406 -0.001548 -0.003682 -0.004033 0.003637 -0.001202 0.003137 -0.000116 0.005205 0.001820 -0.004127 0.002199 0.004384 -0.004269 0.005603 -0.004085 0.000568 0.008708 -0.000007 -0.005705 0.005783 0.006584 0.002103 0.004949 -0.000835 0.000931 0.003406</matrix>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="23">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="23">-0.003 -0.002 -0.003 -0.003 -0.007 -0.007 -0.007 -0.007 -0.004 -0.004 -0.004 -0.004 -0.001 -0.001 -0.001 -0.001 -0.001 -0.001 -0.001 -0.000 0.001 0.001 0.001</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="23">-0.023 -0.023 -0.023 -0.023 -0.027 -0.027 -0.027 -0.027 -0.020 -0.020 -0.019 -0.020 -0.004 -0.004 -0.003 -0.003 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="23">0.732 0.733 0.733 0.733 0.726 0.726 0.729 0.730 0.621 0.621 0.623 0.620 0.032 0.042 0.020 0.020 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="23">0.707 0.708 0.707 0.707 0.692 0.692 0.695 0.696 0.598 0.598 0.600 0.596 0.027 0.037 0.017 0.017 -0.001 -0.001 -0.001 -0.000 0.001 0.001 0.001</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.057</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.289</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">8.443</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">8.096</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-75.63471044</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-75.58519366</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-75.61820485</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-0.7461</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.013049400289608</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.013050090773081</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.516792</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">86.5</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Ni"
                        id="a1"
                        x3="2.52699"
                        xFract="0.33710467"
                        y3="1.4626"
                        yFract="0.33710419"
                        z3="1.23219"
                        zFract="0.04999484"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="3.77322"
                        xFract="0.33710315"
                        y3="3.63196"
                        yFract="0.83710442"
                        z3="1.3853"
                        zFract="0.04999486"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="5.02883"
                        xFract="0.83710387"
                        y3="1.4626"
                        yFract="0.33710419"
                        z3="1.3853"
                        zFract="0.04999485"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.27507"
                        xFract="0.83710435"
                        y3="3.63196"
                        yFract="0.83710442"
                        z3="1.53841"
                        zFract="0.04999484"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="3.6514"
                        xFract="0.48710269"
                        y3="2.1134"
                        yFract="0.48710241"
                        z3="3.37574"
                        zFract="0.14999513"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.89765"
                        xFract="0.48710518"
                        y3="4.28276"
                        yFract="0.98710264"
                        z3="3.52885"
                        zFract="0.14999509"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.15325"
                        xFract="0.98710389"
                        y3="2.1134"
                        yFract="0.48710241"
                        z3="3.52885"
                        zFract="0.14999511"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="7.39948"
                        xFract="0.98710238"
                        y3="4.28276"
                        yFract="0.98710264"
                        z3="3.68196"
                        zFract="0.14999513"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="1.02875"
                        xFract="0.13697308"
                        y3="0.59773"
                        yFract="0.1377665"
                        z3="5.19207"
                        zFract="0.24896384"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.27909"
                        xFract="0.13687334"
                        y3="2.7751"
                        yFract="0.6396129"
                        z3="5.34473"
                        zFract="0.24891583"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="3.53199"
                        xFract="0.63696505"
                        y3="0.60023"
                        yFract="0.13834271"
                        z3="5.3602"
                        zFract="0.24968744"/>
                  <atom elementType="Ni"
                        id="a12"
                        x3="4.7910"
                        xFract="0.64037643"
                        y3="2.76211"
                        yFract="0.63661893"
                        z3="5.50873"
                        zFract="0.24943902"/>
                  <atom elementType="Ni"
                        id="a13"
                        x3="2.12607"
                        xFract="0.27867767"
                        y3="1.27361"
                        yFract="0.29354524"
                        z3="7.40239"
                        zFract="0.35225604"/>
                  <atom elementType="Ni"
                        id="a14"
                        x3="3.42698"
                        xFract="0.29315746"
                        y3="3.41202"
                        yFract="0.78641202"
                        z3="7.55413"
                        zFract="0.35207962"/>
                  <atom elementType="Ni"
                        id="a15"
                        x3="4.63627"
                        xFract="0.78583899"
                        y3="1.22578"
                        yFract="0.28252124"
                        z3="7.63437"
                        zFract="0.35615786"/>
                  <atom elementType="Ni"
                        id="a16"
                        x3="5.91594"
                        xFract="0.78597869"
                        y3="3.45212"
                        yFract="0.79565438"
                        z3="7.79232"
                        zFract="0.35619566"/>
                  <atom elementType="H"
                        id="a17"
                        x3="3.32206"
                        xFract="0.45205112"
                        y3="1.84541"
                        yFract="0.42533532"
                        z3="8.36786"
                        zFract="0.39475892"/>
                  <atom elementType="H"
                        id="a18"
                        x3="4.67658"
                        xFract="0.45242198"
                        y3="4.20003"
                        yFract="0.9680348"
                        z3="8.53717"
                        zFract="0.39490568"/>
                  <atom elementType="H"
                        id="a19"
                        x3="5.8408"
                        xFract="0.94260932"
                        y3="1.95706"
                        yFract="0.45106873"
                        z3="8.55364"
                        zFract="0.39610812"/>
                  <atom elementType="H"
                        id="a20"
                        x3="3.98636"
                        xFract="0.78255243"
                        y3="0.12309"
                        yFract="0.02837013"
                        z3="8.5981"
                        zFract="0.40697295"/>
                  <atom elementType="H"
                        id="a21"
                        x3="0.78246"
                        xFract="0.10691315"
                        y3="0.43083"
                        yFract="0.09929892"
                        z3="8.16419"
                        zFract="0.39484944"/>
                  <atom elementType="H"
                        id="a22"
                        x3="2.12691"
                        xFract="0.10658951"
                        y3="2.77397"
                        yFract="0.63935245"
                        z3="8.33216"
                        zFract="0.39498074"/>
                  <atom elementType="H"
                        id="a23"
                        x3="4.60871"
                        xFract="0.61472021"
                        y3="2.66826"
                        yFract="0.61498811"
                        z3="8.49815"
                        zFract="0.39585081"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a21" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a23" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="H7Ni16">
                  <atomArray count="7 16" elementType="H Ni"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">939.0944</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/16Ni.7H">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23/rA:23NiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiH3H2H2HHH2H3/rB:s1;s1s2;s2s3;s1s2s3;s2s4s5;s3s4s5s6;s4s6s7;;s5s9;s5s9s10;s5s6s7s10s11;s9s10s11;s10s12s13;s11s12s13s14;s12s14s15;s13s14s15;s14s16;s15s16;s15;s13;s13s14;s14s15s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
