<?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">2016-06-21T16:34:13.000+02:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.379214703432655</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">22.0</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">60.0</scalar>
               </crystal>
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                        y3="1.57605332"
                        yFract="0.21718853"
                        z3="9.043197"
                        zFract="0.41105438"/>
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                        xFract="0.2138387"
                        y3="3.98946798"
                        yFract="0.54976995"
                        z3="9.34859661"
                        zFract="0.42493615"/>
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                        y3="6.43216227"
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                        zFract="0.41404239"/>
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                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a24" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a28" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a29" order="S"/>
                  <bond atomRefs2="a20 a28" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a29" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a29" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a31" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a33" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a38" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a47 a51" order="S"/>
                  <bond atomRefs2="a47 a53" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
                  <bond atomRefs2="a48 a54" order="S"/>
                  <bond atomRefs2="a49 a55" order="S"/>
                  <bond atomRefs2="a49 a56" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
               </bondArray>
               <formula concise="C 4 H 17 Pd 45">
                  <atomArray count="4 17 45" elementType="C H Pd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4836.942800000002</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C4H8.45Pd.9H/c1-3-4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-4H,1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:47,49,46,48;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;45;58;59;60;61;62;63;64;65;66/E:(1,2)(3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:3.3,4.3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:66PdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdPdC3CC3CHHHHHHHHHH2H2H2H3H3H2H3H3/rB:s1;s2;s1s2;s2s3s4;s3s5;s4s5;s5s6s7;s6s8;s9;s7s8;s8s9s10s11;s3s6;s1;s3s5s13s14;s14;s5s7s11s14s15s16;s5s6s8s11s12s13s15s17;;s14s19;s15s20;s14s16s19s20;s14s15s17s20s21s22;s13s15s18s21s23;s16s17s22s23;s11s17s18s23s24s25;s12s18s24s26;s19s20s22;s20s21s23s28;s21s24s29;s22s23s25s28s29;s23s24s26s29s30s31;s24s27s30s32;s25s26s31s32;s26s27s32s33s34;s27s33s35;;s28s37;;;s39;s29s30s32;s31;s41;s40s44;;s46;s46;s48;s46;s47;s47;s47;s48;s49;s49;s49;s1;s1s2;s2s3;s1s4;s2s4s5;s3s5s6;s4s7;s5s7s8;s6s8s9;/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">483.0000</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">9 36 4 17</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">8.379213000 0.000001000 0.000001000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">4.189607000 7.256613000 0.000002000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 22.000000000</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="3770">-12.2112 -10.1554 -8.3919 -5.1762 -5.1319 -3.8834 -3.7839 -3.7564 -3.7367 -3.7322 -3.7317 -3.7293 -3.7130 -3.2011 -3.1954 -2.7958 -2.4603 -2.2596 -2.1942 -2.0158 -1.9821 -1.9816 -1.9720 -1.9707 -1.9664 -1.9655 -1.8606 -1.8519 -1.8514 -1.8510 -1.8509 -1.8505 -1.8112 -1.6582 -1.6578 -1.6574 -1.6566 -1.6540 -1.6335 -1.5284 -1.5279 -1.5262 -1.5260 -1.5207 -1.5205 -1.5054 -1.2665 -1.2657 -1.2653 -1.2646 -1.2644 -1.2619 -1.2586 -1.2442 -1.2208 -1.2206 -1.1987 -1.1985 -1.1475 -1.1455 -1.1382 -1.1364 -1.1336 -1.1245 -0.9526 -0.9525 -0.9271 -0.9265 -0.8175 -0.8078 -0.8076 -0.8033 -0.8019 -0.8010 -0.7987 -0.7821 -0.7213 -0.6917 -0.6916 -0.4453 -0.4440 -0.4245 -0.4244 -0.2641 -0.2568 -0.2561 -0.2545 -0.2536 -0.2503 -0.2046 -0.2017 -0.1726 -0.1415 -0.0819 -0.0780 -0.0761 -0.0746 -0.0737 -0.0699 -0.0658 -0.0564 -0.0553 -0.0409 -0.0300 0.0614 0.0616 0.0874 0.0908 0.1241 0.1301 0.1308 0.1325 0.1336 0.1609 0.1640 0.1651 0.1767 0.1774 0.1775 0.2681 0.2707 0.3184 0.3192 0.3566 0.3568 0.3593 0.3612 0.4322 0.4340 0.4358 0.4370 0.4395 0.4421 0.4795 0.4818 0.5648 0.5650 0.5914 0.5915 0.5936 0.5943 0.5949 0.5958 0.5972 0.5978 0.7316 0.7325 0.7387 0.7399 0.7413 0.7444 0.7772 1.2208 1.2213 1.2278 1.2288 1.2358 1.2401 1.2443 1.2527 1.2814 1.2834 1.2845 1.2857 1.2893 1.2897 1.3212 1.3219 1.3574 1.3575 1.4484 1.4818 1.5056 1.5669 1.5670 1.5779 1.5785 1.5947 1.5966 1.5971 1.5986 1.6031 1.6100 1.6114 1.6145 1.6147 1.6162 1.6175 1.7789 1.7883 1.8138 1.8146 1.8171 1.8177 1.8181 1.8191 1.8984 1.9132 1.9141 1.9148 1.9155 1.9179 1.9202 1.9207 2.0071 2.0443 2.0450 2.0470 2.0480 2.0539 2.0542 2.2147 2.2150 2.2157 2.2161 2.2165 2.2166 2.2227 2.2231 2.2232 2.2277 2.2278 2.2306 2.2307 2.2322 2.2325 2.2427 2.2550 2.2560 2.2590 2.2598 2.2628 2.2702 2.2905 2.3471 2.3474 2.3519 2.3521 2.3538 2.3541 2.4362 2.4364 2.4508 2.4514 2.4802 2.4803 2.5716 2.6087 2.6752 2.6754 2.6778 2.6781 2.6868 2.6870 2.8906 2.8934 2.8969 2.9046 2.9108 2.9266 3.8997 4.6427 4.6487 4.6490 4.6522 4.6629 4.6706 6.0280 6.0317 6.6370 6.6744 6.6801 6.6855 6.6942 6.7161 6.8344 7.1275 7.8716 8.5555 8.5677 8.5879 8.6195 8.6220 8.6350 8.6432 8.6503 8.6997 8.7323 8.9007 8.9288 -12.2105 -10.1569 -8.3894 -5.1389 -5.0537 -3.9229 -3.8614 -3.7600 -3.7470 -3.7274 -3.6829 -3.6778 -3.5834 -3.2568 -3.2521 -2.6734 -2.4498 -2.1911 -2.1821 -2.1487 -2.0544 -1.9782 -1.9602 -1.9497 -1.9103 -1.9064 -1.8995 -1.8622 -1.8603 -1.8231 -1.7817 -1.7701 -1.7084 -1.7030 -1.6955 -1.6647 -1.6597 -1.5661 -1.5646 -1.5432 -1.5372 -1.5283 -1.5213 -1.4753 -1.4616 -1.3869 -1.3465 -1.3422 -1.3414 -1.3060 -1.2942 -1.2738 -1.2687 -1.2409 -1.1933 -1.1904 -1.1681 -1.1641 -1.1513 -1.1414 -1.1333 -1.0249 -1.0128 -0.9601 -0.9558 -0.9524 -0.9430 -0.8795 -0.8528 -0.8344 -0.8280 -0.7981 -0.7958 -0.7811 -0.7761 -0.7141 -0.7100 -0.7084 -0.6870 -0.5920 -0.5793 -0.3997 -0.3930 -0.3925 -0.3832 -0.3160 -0.3104 -0.3061 -0.2975 -0.2709 -0.2173 -0.2036 -0.1987 -0.1965 -0.1949 -0.1860 -0.1635 -0.1177 -0.1019 -0.0473 -0.0463 -0.0125 -0.0046 0.0128 0.0133 0.0644 0.0703 0.0786 0.0912 0.1097 0.1354 0.1581 0.1630 0.1711 0.1745 0.1758 0.1880 0.1958 0.2274 0.2379 0.2537 0.2635 0.2698 0.2716 0.2879 0.2992 0.3116 0.3133 0.3508 0.4051 0.4309 0.4381 0.4417 0.4478 0.4623 0.4671 0.5523 0.5527 0.5604 0.5958 0.6288 0.6767 0.6791 0.6797 0.7220 0.7325 0.7580 0.7807 0.7870 0.7913 0.8285 0.8307 0.8793 0.8847 0.9902 1.0281 1.0470 1.0679 1.0703 1.1326 1.1625 1.1633 1.1814 1.1836 1.2294 1.2332 1.2795 1.2927 1.2943 1.3221 1.3519 1.3868 1.3879 1.3915 1.4001 1.4024 1.4057 1.4814 1.4887 1.5109 1.5130 1.5192 1.5689 1.5724 1.6074 1.6216 1.6378 1.6453 1.6471 1.6583 1.6660 1.6671 1.6794 1.7718 1.7783 1.8014 1.8078 1.8163 1.8196 1.8898 1.8972 1.9218 1.9296 1.9416 1.9883 1.9904 2.0029 2.0294 2.0363 2.0947 2.0986 2.1290 2.1354 2.1376 2.1466 2.1486 2.1549 2.1939 2.1994 2.2297 2.2595 2.2666 2.2680 2.2883 2.2988 2.3017 2.4169 2.4239 2.4250 2.4251 2.4267 2.4352 2.4402 2.4406 2.4431 2.5137 2.5140 2.5649 2.5829 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                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a29" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a32" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a31" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a32" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a33" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a28 a38" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a29 a31" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a43" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a44" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a48" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
                  <bond atomRefs2="a47 a51" order="S"/>
                  <bond atomRefs2="a47 a53" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
                  <bond atomRefs2="a48 a54" order="S"/>
                  <bond atomRefs2="a49 a55" order="S"/>
                  <bond atomRefs2="a49 a56" order="S"/>
                  <bond atomRefs2="a49 a57" order="S"/>
               </bondArray>
               <formula concise="C 4 H 17 Pd 45">
                  <atomArray count="4 17 45" elementType="C H Pd"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4836.942800000002</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C4H8.45Pd.9H/c1-3-4-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-4H,1-2H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
