<?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 Jan 17 2013 15:17:09) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2016-06-14T08:38:35.000+02:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.89</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</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">90.0</scalar>
               </crystal>
               <atomArray>
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                        xFract="0.99981597"
                        y3="7.86059634"
                        yFract="0.9962733"
                        z3="7.81245"
                        zFract="0.3906225"/>
                  <atom elementType="Pd"
                        id="a2"
                        x3="3.95451558"
                        xFract="0.50120603"
                        y3="7.86720816"
                        yFract="0.9971113"
                        z3="7.8263688"
                        zFract="0.39131844"/>
                  <atom elementType="Pd"
                        id="a3"
                        x3="7.88056648"
                        xFract="0.99880437"
                        y3="3.91487929"
                        yFract="0.49618242"
                        z3="7.831431"
                        zFract="0.39157155"/>
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                        id="a4"
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                        xFract="0.49752363"
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                        yFract="0.49761687"
                        z3="7.9585284"
                        zFract="0.39792642"/>
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                        xFract="0.2486355"
                        y3="1.93500435"
                        yFract="0.2452477"
                        z3="7.8317466"
                        zFract="0.39158733"/>
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                        xFract="0.75033746"
                        y3="1.94758275"
                        yFract="0.24684192"
                        z3="7.8147376"
                        zFract="0.39073688"/>
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                        x3="1.99008847"
                        xFract="0.25222921"
                        y3="5.8774401"
                        yFract="0.7449227"
                        z3="7.9452652"
                        zFract="0.39726326"/>
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                        id="a8"
                        x3="5.91428088"
                        xFract="0.749592"
                        y3="5.89759179"
                        yFract="0.74747678"
                        z3="7.8268794"
                        zFract="0.39134397"/>
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                        id="a9"
                        x3="0.00749613"
                        xFract="0.00095008"
                        y3="1.95909315"
                        yFract="0.24830078"
                        z3="5.8736952"
                        zFract="0.29368476"/>
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                        xFract="0.49919516"
                        y3="1.97117211"
                        yFract="0.2498317"
                        z3="5.9013844"
                        zFract="0.29506922"/>
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                        zFract="0.29499729"/>
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                        id="a12"
                        x3="3.94470294"
                        xFract="0.49996235"
                        y3="5.89481846"
                        yFract="0.74712528"
                        z3="5.8949944"
                        zFract="0.29474972"/>
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                        xFract="0.25124527"
                        y3="7.85414934"
                        yFract="0.99545619"
                        z3="5.8976654"
                        zFract="0.29488327"/>
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                        y3="7.86929498"
                        yFract="0.99737579"
                        z3="5.8743484"
                        zFract="0.29371742"/>
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                        zFract="0.2948698"/>
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                        xFract="0.74777485"
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                        yFract="0.49851176"
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                        xFract="0.00107722"
                        y3="7.87493389"
                        yFract="0.99809048"
                        z3="3.9389576"
                        zFract="0.19694788"/>
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                        xFract="0.49990363"
                        y3="7.87997528"
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                        z3="3.925424"
                        zFract="0.1962712"/>
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                        y3="3.93884036"
                        yFract="0.49921931"
                        z3="3.9250768"
                        zFract="0.19625384"/>
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                        id="a20"
                        x3="3.94302284"
                        xFract="0.49974941"
                        y3="3.93913142"
                        yFract="0.4992562"
                        z3="3.9313238"
                        zFract="0.19656619"/>
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                        id="a21"
                        x3="1.97879977"
                        xFract="0.25079845"
                        y3="1.96464093"
                        yFract="0.24900392"
                        z3="3.9249106"
                        zFract="0.19624553"/>
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                        id="a22"
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                        xFract="0.74948629"
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                        yFract="0.24964013"
                        z3="3.9394902"
                        zFract="0.19697451"/>
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                        id="a23"
                        x3="1.97968171"
                        xFract="0.25091023"
                        y3="5.90380296"
                        yFract="0.748264"
                        z3="3.9310016"
                        zFract="0.19655008"/>
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                        id="a24"
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                        xFract="0.7502308"
                        y3="5.90365297"
                        yFract="0.74824499"
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                        zFract="0.19629193"/>
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                        id="a25"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="1.9725"
                        yFract="0.2500"
                        z3="1.9725"
                        zFract="0.098625"/>
                  <atom elementType="Pd"
                        id="a26"
                        x3="3.9450"
                        xFract="0.5000"
                        y3="1.9725"
                        yFract="0.2500"
                        z3="1.9725"
                        zFract="0.098625"/>
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                        id="a27"
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                        xFract="0.0000"
                        y3="5.9175"
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                        zFract="0.098625"/>
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                        x3="3.9450"
                        xFract="0.5000"
                        y3="5.9175"
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                        xFract="0.2500"
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                        zFract="0.098625"/>
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                        xFract="0.2500"
                        y3="3.9450"
                        yFract="0.5000"
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                        zFract="0.098625"/>
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                        xFract="0.7500"
                        y3="3.9450"
                        yFract="0.5000"
                        z3="1.9725"
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                        xFract="0.5000"
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                        y3="3.9450"
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                        y3="1.9725"
                        yFract="0.2500"
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                        y3="5.91750079"
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                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a37" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a31" order="S"/>
                  <bond atomRefs2="a26 a37" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a31" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a36" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a31 a39" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a32 a40" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a38" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a48" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a49" order="S"/>
                  <bond atomRefs2="a44 a50" order="S"/>
                  <bond atomRefs2="a44 a51" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
               </bondArray>
               <formula concise="C 4 H 16 Pd 40">
                  <atomArray count="4 16 40" elementType="C H Pd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4304.842800000001</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C4H8.40Pd.8H/c1-3-4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-4H,1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:42,44,41,43;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;53;54;55;56;57;58;59;60/E:(1,2)(3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:3.3,4.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:60PdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdCCCCHHHHHHHHH2H0H0H0H0H0H0H/rB:;;;s4;s3s4;s2s4;s1s2s3s4;s5;s4s5s6;s7;s2s4s7s8;s2s7s11s12;s1s2s8s12;s4s5s7s9s10s11s12;s3s4s6s8s10s12;s11s13;s12s13s14;s9s11s15;s10s12s15s16;s9s10s15s19s20;s10s16s20;s11s12s13s15s17s18s19s20;s12s14s16s18s20;s19s21;s20s21s22;s17s19s23;s18s20s23s24;s21s25s26;s22s26;s19s20s21s23s25s26s27s28;s20s22s24s26s28;s25s29;s26s29s30;s25s27s31;s26s28s31s32;s25s26s29s31s33s34s35s36;s26s30s32s34s36;s27s28s31s35s36;s28s32s36;s4;s41;s7s41;s43;s41;s42;s42;s42;s43;s44;s44;s44;s4s7;;;;;;;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">400</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">0.1E-03</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</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">432.0000</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">--</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:lvdw">
                  <scalar>true</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="4">PAW_PBE Pd 04Jan2005|PAW_PBE Pd 04Jan2005|^PAW_PBE C_h 06Feb2004|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="4">Pd Pd C H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">106.420 106.420 12.011 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">10.000 10.000 4.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">8 32 4 16</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">7.890000000 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 7.890000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 20.000000000</array>
               </module>
               <module cmlx:templateRef="grimmes" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string" dictRef="cc:elementType" size="4">Pd Pd C H</array>
                  <array dataType="xsd:double" dictRef="v:grimmeC6" size="4">5.024 0.000 1.750 0.140</array>
                  <array dataType="xsd:double" dictRef="v:grimmeR0" size="4">1.374 1.374 1.452 1.001</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">-13.5176 -11.2776 -9.5339 -6.6204 -5.7613 -5.1344 -4.6186 -4.1354 -4.0231 -3.9579 -3.8420 -3.7878 -3.5845 -3.3736 -2.9776 -2.4902 -2.4504 -2.4073 -2.3756 -2.1799 -2.1246 -2.0990 -2.0863 -2.0456 -2.0327 -1.9446 -1.8823 -1.8669 -1.8637 -1.8383 -1.6773 -1.6219 -1.6199 -1.5996 -1.5952 -1.5926 -1.5760 -1.5582 -1.4852 -1.4792 -1.3804 -1.2935 -1.1960 -1.1229 -1.1075 -1.1063 -1.1029 -1.1025 -1.0973 -1.0949 -0.9995 -0.9980 -0.9952 -0.9914 -0.9256 -0.9207 -0.8794 -0.8634 -0.8492 -0.8367 -0.8266 -0.7826 -0.7342 -0.7292 -0.7231 -0.6803 -0.6783 -0.6674 -0.6627 -0.6573 -0.6532 -0.6489 -0.6193 -0.5323 -0.4631 -0.4557 -0.4395 -0.4348 -0.4222 -0.4027 -0.3997 -0.3957 -0.3923 -0.3908 -0.3254 -0.2969 -0.2832 -0.2700 -0.2310 -0.1821 -0.1250 -0.1156 -0.1132 -0.0993 -0.0777 -0.0291 -0.0237 -0.0138 -0.0019 0.0748 0.0806 0.0898 0.0931 0.0955 0.1159 0.1880 0.2003 0.2077 0.2214 0.2324 0.2399 0.2799 0.2967 0.3176 0.3473 0.3589 0.3924 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0.7880 0.7977 0.8123 0.8262 0.8551 0.8580 0.8663 0.8778 0.9196 0.9235 0.9588 0.9916 1.0071 1.0173 1.0617 1.0686 1.1031 1.1300 1.1418 1.1577 1.1745 1.1832 1.1877 1.2178 1.2507 1.2831 1.2993 1.3067 1.3260 1.3409 1.4044 1.4198 1.4501 1.4670 1.4862 1.5259 1.5559 1.6300 1.6350 1.6455 1.6543 1.6712 1.6944 1.7038 1.7227 1.7246 1.7280 1.7432 1.7791 1.7896 1.8285 1.8599 1.9377 1.9621 1.9748 1.9935 2.0285 2.0617 2.0765 2.0864 2.0920 2.1277 2.1360 2.1530 2.1890 2.1944 2.2028 2.2074 2.2148 2.2517 2.2781 2.2856 2.3096 2.3235 2.3364 2.4587 2.4632 2.4874 2.5145 2.5280 2.5741 2.5954 2.6335 2.6450 2.6652 2.6867 2.6980 2.7025 2.7193 2.7357 2.7451 2.7734 2.7882 2.8551 2.9063 3.0790 3.1312 3.2733 3.4822 3.8399 3.8918 3.9130 3.9468 4.0477 4.0484 4.4175 4.6827 4.9579 5.0458 5.0551 5.1650 5.6328 5.7617 5.8280 5.8650 5.9063 5.9129 6.4021 6.6093 6.7428 6.9488 7.0161 7.2757 7.3614 7.5767 7.6772 7.9753 8.0163 8.0333 8.0376 8.2149 8.3219 -13.5172 -11.2790 -9.5364 -6.6128 -5.3843 -5.1424 -4.8654 -4.3017 -4.0744 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                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a9 a19" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a20" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a16" order="S"/>
                  <bond atomRefs2="a11 a17" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a23" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a24" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a53" order="S"/>
                  <bond atomRefs2="a16 a24" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a18 a28" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a25" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a20 a26" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a25" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a26" order="S"/>
                  <bond atomRefs2="a23 a27" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a25 a31" order="S"/>
                  <bond atomRefs2="a25 a37" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a37" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a31" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a36" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a31 a39" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a31 a36" order="S"/>
                  <bond atomRefs2="a32 a40" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
                  <bond atomRefs2="a32 a38" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a35 a39" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a39" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
                  <bond atomRefs2="a41 a45" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a48" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a49" order="S"/>
                  <bond atomRefs2="a44 a50" order="S"/>
                  <bond atomRefs2="a44 a51" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
               </bondArray>
               <formula concise="C 4 H 16 Pd 40">
                  <atomArray count="4 16 40" elementType="C H Pd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4304.842800000001</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C4H8.40Pd.8H/c1-3-4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-4H,1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:42,44,41,43;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;53;54;55;56;57;58;59;60/E:(1,2)(3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:3.3,4.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:60PdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdCCCCHHHHHHHHH2H2HH2H0H0H0H/rB:;;;s4;s3s4;s2s4;s1s2s3s4;s5;s5s6;;s2s8;s2s11s12;s1s2s8s12;s5s9s10s11s12;s3s6s8s10s12;s11s13;s12s13s14;s9s11s15;s10s12s15s16;s9s10s15s19s20;s10s16s20;s11s12s13s15s17s18s19s20;s12s14s16s18s20;s19s21;s20s21s22;s17s19s23;s18s20s23s24;s21s25s26;s22s26;s19s20s21s23s25s26s27s28;s20s22s24s26s28;s25s29;s26s29s30;s25s27s31;s26s28s31s32;s25s26s29s31s33s34s35s36;s26s30s32s34s36;s27s28s31s35s36;s28s32s36;s4;s41;s7s41;s43;s41;s42;s42;s42;s43;s44;s44;s44;s5s15;s2s8;s6;s3s6;;;;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
