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        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">
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         <module dictRef="cc:environment" id="environment">
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               </parameter>
               <parameter dictRef="cc:programVersion">
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                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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               <parameter dictRef="v:ediff">
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               <parameter dictRef="v:ediffg">
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               <parameter dictRef="v:potim">
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               <parameter dictRef="v:nelect">
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               <parameter dictRef="v:nupdown">
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               <parameter dictRef="v:ldipol">
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               <parameter dictRef="v:idipol">
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               <parameter dictRef="v:voskown">
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         <module dictRef="cc:calculation" id="calculation">
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                          units="nonsi2:ev.angstrom-1">0.000023 -0.000025 1.127053 0.002645 -0.000613 -1.191844 -0.000044 -0.000120 1.117762 0.002604 0.000506 -1.191913 0.000038 -0.000006 1.147754 -0.002599 -0.000568 -1.191913 0.000041 -0.000121 1.104634 -0.002555 0.000472 -1.191959 0.000040 -0.007949 0.104223 0.021665 0.000033 -0.260426 0.000051 0.007770 0.104248 0.002974 0.000255 -0.241565 -0.000064 0.000061 0.099054 -0.021030 0.000032 -0.260425 -0.000081 -0.000353 0.099149 -0.002863 0.000258 -0.241651 0.001842 0.000144 0.606639 -0.043006 -0.022088 -0.009652 0.000268 0.000912 0.295002 -0.042643 0.022270 -0.012089 0.002818 0.000799 0.273724 0.041856 -0.021986 -0.009447 0.000994 0.001107 0.254802 0.041465 0.022199 -0.012053 -0.001543 -0.044493 -0.014952 0.316924 0.003287 -0.108448 0.002115 0.045190 -0.014316 -0.036881 -0.000927 -0.045175 0.000699 -0.052991 -0.042517 -0.313621 0.002188 -0.111828 -0.002973 0.053674 -0.040523 0.036092 0.000228 -0.044052 0.003667 -0.000221 -0.930193 -0.103128 0.247740 -0.195157 -0.023716 -0.000008 -1.290310 -0.099652 -0.245749 -0.192532 -0.008582 0.001282 1.532742 0.098502 0.243283 -0.187854 0.022080 0.001481 -1.143735 0.095216 -0.241606 -0.185275 -0.000022 0.000041 1.132895 -0.000011 -0.000094 1.132888 0.000021 -0.000252 1.126077 0.000009 0.000317 1.125953 0.000587 -0.241546 -0.542206 0.000574 0.241466 -0.542166 -0.000124 -0.241778 -0.536849 -0.000089 0.241758 -0.536794 -0.000593 -0.241617 -0.542229 -0.000572 0.241533 -0.542189 0.000163 -0.241761 -0.536866 0.000141 0.241723 -0.536838 0.000024 0.008990 0.311842 0.000034 -0.009025 0.311954 0.000050 -0.000381 0.290145 0.000041 0.000418 0.290298 -0.000142 0.000010 -0.070575 -0.000023 0.000001 -0.065147 -0.000178 -0.000001 -0.103630 -0.000057 -0.000007 -0.063205 0.002904 -0.033013 -0.023360 0.002861 0.032915 -0.023396 0.000423 -0.043548 -0.023580 0.000427 0.043412 -0.023583 -0.002842 -0.033044 -0.023409 -0.002811 0.032941 -0.023457 -0.000336 -0.043525 -0.023532 -0.000339 0.043395 -0.023515 -0.000603 0.000020 0.230430 -0.000036 -0.000309 0.225371 -0.000891 -0.000188 0.224829 -0.000302 -0.000435 0.208316 0.000455 0.010283 -0.047983 0.000511 -0.010511 -0.048021 0.000420 0.010979 -0.064074 0.000373 -0.011216 -0.064118 -0.004069 0.041526 0.032216 -0.003906 -0.041627 0.032787 0.009070 0.030071 0.044346 0.009137 -0.029717 0.045876 0.005267 0.041615 0.032126 0.005113 -0.041673 0.032595 -0.008614 0.030065 0.044072 -0.008661 -0.029748 0.045622 0.001592 0.020642 -0.118365 0.001373 -0.023584 -0.126645 0.002479 0.026364 -0.249261 0.002719 -0.029738 -0.256268 -0.001380 0.000028 0.084696 0.001267 -0.000151 -0.030360 -0.000402 -0.000338 -0.228449 0.000340 -0.000856 0.003501 0.014643 -0.001969 -0.006897 0.014798 0.002821 -0.007268 0.020493 -0.014735 -0.021520 0.020512 0.014037 -0.023791 -0.015261 -0.006223 -0.007543 -0.015396 0.005552 -0.007991 -0.019654 -0.017255 -0.022875 -0.019643 0.017949 -0.025284 -0.002073 0.002776 0.368872 0.002489 0.001465 0.477493 -0.001471 0.002930 0.390905 -0.000250 0.001184 0.506121 -0.000499 -0.035944 -0.256714 -0.001048 0.032502 -0.256328 0.000480 -0.015352 -0.234609 0.000940 0.013338 -0.233790 -0.445325 0.382831 0.158297 -0.441813 -0.383084 0.153786 0.067429 0.012409 0.352167 0.067386 -0.012939 0.353136 0.440449 0.372408 0.163903 0.437151 -0.372913 0.159745 -0.064470 0.035862 0.358620 -0.064434 -0.036736 0.359918 0.003556 -0.007091 -1.172094</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="117">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 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="117">-0.001 0.016 -0.000 0.016 0.001 0.016 0.001 0.016 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 -0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.001 -0.000 0.001 0.001 0.001 -0.000 0.001 0.003 0.003 0.003 0.003 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.001 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 -0.000 0.002</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="117">-0.000 0.021 -0.000 0.021 -0.001 0.021 -0.001 0.021 0.002 0.000 0.002 0.000 0.002 0.000 0.002 0.000 0.000 0.001 -0.000 0.001 -0.000 0.001 -0.000 0.001 -0.000 0.001 -0.000 0.000 0.000 0.001 0.000 0.000 -0.000 0.003 0.000 0.003 0.002 0.003 -0.001 0.003 0.163 0.163 0.156 0.156 -0.011 -0.011 -0.012 -0.012 -0.011 -0.011 -0.012 -0.012 0.032 0.032 0.030 0.030 -0.012 -0.006 0.010 0.004 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 -0.002 -0.001 0.002 0.003 0.005 0.005 0.006 0.006 -0.000 -0.000 -0.001 -0.001 -0.000 -0.000 -0.001 -0.001 -0.001 -0.001 0.000 0.000 0.010 0.001 0.002 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 -0.001 -0.001 -0.012 -0.003 0.005 0.005 0.005 0.005 -0.013 -0.013 -0.001 -0.001 -0.013 -0.013 -0.001 -0.001 0.179</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="117">-0.312 0.556 -0.286 0.556 0.020 0.556 -0.033 0.556 -0.032 0.033 -0.032 0.043 -0.055 0.033 -0.055 0.043 0.027 0.025 -0.017 0.025 -0.025 0.025 -0.021 0.025 -0.019 0.004 -0.019 0.022 -0.007 0.004 -0.006 0.022 -0.070 0.043 -0.004 0.042 0.243 0.043 -0.060 0.042 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="117">-0.312 0.593 -0.287 0.593 0.021 0.593 -0.033 0.593 -0.030 0.033 -0.030 0.044 -0.053 0.033 -0.053 0.044 0.028 0.026 -0.018 0.026 -0.026 0.026 -0.022 0.026 -0.019 0.005 -0.019 0.022 -0.006 0.005 -0.006 0.022 -0.070 0.046 -0.004 0.046 0.246 0.046 -0.061 0.045 0.166 0.166 0.159 0.159 -0.011 -0.011 -0.012 -0.012 -0.011 -0.011 -0.012 -0.012 0.032 0.032 0.030 0.030 -0.013 -0.006 0.010 0.004 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 -0.002 -0.001 0.002 0.003 0.005 0.005 0.006 0.006 -0.000 -0.000 -0.001 -0.001 -0.000 -0.000 -0.001 -0.001 -0.001 -0.001 0.000 0.000 0.010 0.001 0.002 0.000 0.001 0.001 0.001 0.001 0.001 0.001 0.001 0.001 -0.001 -0.001 -0.012 -0.003 0.005 0.005 0.005 0.005 -0.013 -0.013 -0.001 -0.001 -0.013 -0.013 -0.001 -0.001 0.181</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.088</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">0.950</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">1.934</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">2.973</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:frequencies">
                  <module cmlx:templateRef="vibrations" dictRef="cc:vibrations">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="3">1 2 3</array>
                     <array dataType="xsd:string" dictRef="v:freqtype" size="3">f f f</array>
                     <array dataType="xsd:double" dictRef="cc:frequency" size="3">767.348589 211.215955 168.183263</array>
                     <array dataType="xsd:double" dictRef="cc:displacement" size="1053">0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.026156 0.003885 0.999650 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 -0.999655 0.002290 -0.026165 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.002391 0.999990 -0.003823</array>
                     <array dataType="xsd:double" dictRef="cc:coords" size="351">0.000000 3.184050 1.237124 1.556500 0.000000 1.237124 0.000000 9.552150 1.237124 1.556500 6.368100 1.237124 3.113000 3.184050 1.237124 4.669500 0.000000 1.237124 3.113000 9.552150 1.237124 4.669500 6.368100 1.237124 0.000000 0.000000 4.421321 1.556500 3.184050 4.421321 0.000000 6.368100 4.421321 1.556500 9.552150 4.421321 3.113000 0.000000 4.421321 4.669500 3.184050 4.421321 3.113000 6.368100 4.421321 4.669500 9.552150 4.421321 0.000000 3.184050 7.605217 1.556500 0.000000 7.605217 0.000000 9.552150 7.605217 1.556500 6.368100 7.605217 3.113000 3.184050 7.605217 4.669500 0.000000 7.605217 3.113000 9.552150 7.605217 4.669500 6.368100 7.605217 0.000927 0.005960 10.765182 1.586452 3.184032 10.838599 0.000846 6.362897 10.764531 1.556931 9.552520 10.831619 3.113645 0.002591 10.751965 4.641546 3.184050 10.838658 3.113736 6.366229 10.751519 4.669862 9.552488 10.831685 0.002764 3.186047 13.916172 1.580148 12.735834 13.860269 0.000098 9.554447 13.993653 1.579719 6.373318 13.858904 3.115927 3.187328 14.233862 4.649133 0.000320 13.858634 3.114034 9.554379 13.977987 4.649571 6.372675 13.857305 0.000000 0.000000 0.000000 0.000000 6.368100 0.000000 3.113000 0.000000 0.000000 3.113000 6.368100 0.000000 1.556500 4.421181 1.237124 1.556500 1.946919 1.237124 1.556500 10.789281 1.237124 1.556500 8.315019 1.237124 4.669500 4.421181 1.237124 4.669500 1.946919 1.237124 4.669500 10.789281 1.237124 4.669500 8.315019 1.237124 0.000000 0.000000 2.474248 0.000000 6.368100 2.474248 3.113000 0.000000 2.474248 3.113000 6.368100 2.474248 0.000000 3.184050 3.184197 0.000000 9.552150 3.184197 3.113000 3.184050 3.184197 3.113000 9.552150 3.184197 1.556500 1.237131 4.421321 1.556500 5.130969 4.421321 1.556500 7.605231 4.421321 1.556500 11.499069 4.421321 4.669500 1.237131 4.421321 4.669500 5.130969 4.421321 4.669500 7.605231 4.421321 4.669500 11.499069 4.421321 0.000000 3.184050 5.658445 0.000000 9.552150 5.658445 3.113000 3.184050 5.658445 3.113000 9.552150 5.658445 0.000000 0.000000 6.368092 0.000000 6.368100 6.368092 3.113000 0.000000 6.368092 3.113000 6.368100 6.368092 1.556500 4.421181 7.605217 1.556500 1.946919 7.605217 1.556500 10.789281 7.605217 1.556500 8.315019 7.605217 4.669500 4.421181 7.605217 4.669500 1.946919 7.605217 4.669500 10.789281 7.605217 4.669500 8.315019 7.605217 0.000000 0.000000 8.842341 0.000000 6.368100 8.842341 3.113000 0.000000 8.842341 3.113000 6.368100 8.842341 0.000754 3.184231 9.578677 0.000235 9.552727 9.571235 3.113789 3.184443 9.565984 3.113374 9.552875 9.568599 1.560526 1.239497 10.793210 1.560476 5.129036 10.794075 1.555052 7.604261 10.793736 1.554988 11.500897 10.795688 4.667103 1.239485 10.793465 4.667163 5.129061 10.794334 4.672372 7.604138 10.794033 4.672428 11.500997 10.795995 0.001425 3.183336 12.018697 0.000450 9.552412 12.067871 3.114018 3.183532 12.170869 3.113343 9.552465 12.068114 0.002030 12.735890 12.744246 0.002043 6.374319 12.742885 3.114007 12.735854 12.720212 3.114011 6.373955 12.719322 1.527849 4.453380 14.064062 1.528681 1.919598 14.069914 1.548304 10.816362 14.106070 1.548183 8.292358 14.107394 4.703408 4.453208 14.062158 4.702532 1.919817 14.067866 4.678942 10.817628 14.103692 4.679059 8.291136 14.104903 3.115284 3.194202 15.961263</array>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-875.69362458</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-875.59979167</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-875.64670813</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">1.0114</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4246514E-01</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.225999832</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.736200333</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">30.210599899</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>
                  <atom elementType="Ru"
                        id="a1"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="3.18405"
                        yFract="0.24999999"
                        z3="1.23712"
                        zFract="0.04094987"/>
                  <atom elementType="Ru"
                        id="a2"
                        x3="1.5565"
                        xFract="0.25000001"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.23712"
                        zFract="0.04094987"/>
                  <atom elementType="Ru"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="9.55215"
                        yFract="0.74999998"
                        z3="1.23712"
                        zFract="0.04094987"/>
                  <atom elementType="Ru"
                        id="a4"
                        x3="1.5565"
                        xFract="0.25000001"
                        y3="6.3681"
                        yFract="0.49999999"
                        z3="1.23712"
                        zFract="0.04094987"/>
                  <atom elementType="Ru"
                        id="a5"
                        x3="3.1130"
                        xFract="0.50000001"
                        y3="3.18405"
                        yFract="0.24999999"
                        z3="1.23712"
                        zFract="0.04094987"/>
                  <atom elementType="Ru"
                        id="a6"
                        x3="4.6695"
                        xFract="0.75000002"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.23712"
                        zFract="0.04094987"/>
                  <atom elementType="Ru"
                        id="a7"
                        x3="3.1130"
                        xFract="0.50000001"
                        y3="9.55215"
                        yFract="0.74999998"
                        z3="1.23712"
                        zFract="0.04094987"/>
                  <atom elementType="Ru"
                        id="a8"
                        x3="4.6695"
                        xFract="0.75000002"
                        y3="6.3681"
                        yFract="0.49999999"
                        z3="1.23712"
                        zFract="0.04094987"/>
                  <atom elementType="Ru"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.42132"
                        zFract="0.14634996"/>
                  <atom elementType="Ru"
                        id="a10"
                        x3="1.5565"
                        xFract="0.25000001"
                        y3="3.18405"
                        yFract="0.24999999"
                        z3="4.42132"
                        zFract="0.14634996"/>
                  <atom elementType="Ru"
                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3681"
                        yFract="0.49999999"
                        z3="4.42132"
                        zFract="0.14634996"/>
                  <atom elementType="Ru"
                        id="a12"
                        x3="1.5565"
                        xFract="0.25000001"
                        y3="9.55215"
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         </module>
      </module>
   </module>
</module>
