<?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">
         <dummy/>
         <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">6.4.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">20Jul23 (build May 01 2024 18:10:19) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-04-08T13:05:15.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">24.471748</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">24.47174800415406</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.47174794015642</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">7.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">7.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">7.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Au"
                        id="a1"
                        x3="-1.07824608"
                        xFract="0.336419"
                        y3="-0.12939248"
                        yFract="0.336419"
                        z3="17.61868535"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a2"
                        x3="-2.57030458"
                        xFract="0.336419"
                        y3="-0.12939248"
                        yFract="0.836419"
                        z3="29.76324685"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a3"
                        x3="-1.07824608"
                        xFract="0.836419"
                        y3="-0.12939248"
                        yFract="0.336419"
                        z3="29.85455935"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a4"
                        x3="-2.57030458"
                        xFract="0.836419"
                        y3="-0.12939248"
                        yFract="0.836419"
                        z3="41.99912085"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a5"
                        x3="-1.67451063"
                        xFract="0.486419"
                        y3="-0.38814638"
                        yFract="0.486419"
                        z3="27.3617283"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a6"
                        x3="-3.16656913"
                        xFract="0.486419"
                        y3="-0.38814638"
                        yFract="0.986419"
                        z3="39.5062898"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a7"
                        x3="-1.67451063"
                        xFract="0.986419"
                        y3="-0.38814638"
                        yFract="0.486419"
                        z3="39.5976023"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a8"
                        x3="-3.16656913"
                        xFract="0.986419"
                        y3="-0.38814638"
                        yFract="0.986419"
                        z3="51.7421638"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a9"
                        x3="-0.77756831"
                        xFract="0.13697128"
                        y3="-0.64203244"
                        yFract="0.13697128"
                        z3="12.70557124"
                        zFract="0.24812474"/>
                  <atom elementType="Au"
                        id="a10"
                        x3="-2.26962681"
                        xFract="0.13697128"
                        y3="-0.64203244"
                        yFract="0.63697128"
                        z3="24.85013274"
                        zFract="0.24812474"/>
                  <atom elementType="Au"
                        id="a11"
                        x3="-0.77756831"
                        xFract="0.63697128"
                        y3="-0.64203244"
                        yFract="0.13697128"
                        z3="24.94144524"
                        zFract="0.24812474"/>
                  <atom elementType="Au"
                        id="a12"
                        x3="-2.26962681"
                        xFract="0.63697128"
                        y3="-0.64203244"
                        yFract="0.63697128"
                        z3="37.08600674"
                        zFract="0.24812474"/>
                  <atom elementType="Au"
                        id="a13"
                        x3="-1.37408131"
                        xFract="0.28696648"
                        y3="-0.90124377"
                        yFract="0.28696648"
                        z3="22.45267397"
                        zFract="0.34830152"/>
                  <atom elementType="Au"
                        id="a14"
                        x3="-2.86613981"
                        xFract="0.28696648"
                        y3="-0.90124377"
                        yFract="0.78696648"
                        z3="34.59723547"
                        zFract="0.34830152"/>
                  <atom elementType="Au"
                        id="a15"
                        x3="-1.37408131"
                        xFract="0.78696648"
                        y3="-0.90124377"
                        yFract="0.28696648"
                        z3="34.68854797"
                        zFract="0.34830152"/>
                  <atom elementType="Au"
                        id="a16"
                        x3="-2.86613981"
                        xFract="0.78696648"
                        y3="-0.90124377"
                        yFract="0.78696648"
                        z3="46.83310947"
                        zFract="0.34830152"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
               </bondArray>
               <formula concise="Au16">
                  <atomArray count="16" elementType="Au"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3151.464800000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="">
                  <scalar dataType="xsd:integer" id="auxInfo"/>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <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">177.0560</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:libxc">
                  <scalar dataType="xsd:string">F</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="3">PAW_PBE|Au|06Sep2000</array>
                  <array dictRef="cc:atomType" size="1">Au</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="1">196.966</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="1">11.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="1">16</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="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1856">-13.9426 -12.9184 -12.0866 -11.9954 -11.8126 -11.8115 -11.8115 -11.6755 -11.6755 -11.6752 -11.4280 -11.4280 -11.4277 -11.2714 -11.2713 -11.2713 -11.2275 -11.2275 -11.2273 -10.6993 -10.6993 -10.6991 -10.1189 -10.1182 -10.1182 -10.0067 -10.0067 -10.0046 -9.9461 -9.9305 -9.8728 -9.8726 -9.8136 -9.8130 -9.7544 -9.7530 -9.7530 -9.6394 -9.6392 -9.5775 -9.5775 -9.2021 -9.2021 -9.2008 -9.1929 -9.1067 -9.1067 -9.1066 -8.8591 -8.8588 -8.8588 -8.7042 -8.6998 -8.5546 -8.5537 -8.4317 -8.4314 -8.4314 -8.1936 -8.1932 -8.1680 -8.1666 -8.1666 -7.8868 -7.8868 -7.8865 -7.8286 -7.8257 -7.8155 -7.8155 -7.8152 -7.6886 -7.6886 -7.6875 -7.6034 -7.6031 -7.6031 -7.5300 -7.5300 -7.5299 -7.4850 -7.4848 -7.4848 -7.2322 -5.7905 -5.4742 -5.4718 -5.4718 -4.7995 -4.7995 -4.7969 -4.4637 -4.4637 -4.4633 -4.2426 -4.2426 -4.2386 -3.8533 -3.7708 -2.7457 -2.7421 -2.7421 -2.5405 -2.5403 -2.5403 -2.4104 -1.6862 -1.5990 -1.5938 -1.5938 -0.3414 -0.3412 -0.3412 0.0070 0.1468 1.2288 -13.8005 -12.7784 -11.9497 -11.8767 -11.8098 -11.7265 -11.7253 -11.6330 -11.5861 -11.5858 -11.3746 -11.3684 -11.3682 -11.2628 -11.1763 -11.1763 -11.1669 -11.1147 -11.1146 -10.6664 -10.6663 -10.6575 -10.1638 -10.1626 -10.0983 -10.0666 -9.9609 -9.9596 -9.9573 -9.9551 -9.9255 -9.7899 -9.7538 -9.7406 -9.7397 -9.7385 -9.7266 -9.6847 -9.6225 -9.5591 -9.4978 -9.3177 -9.3045 -9.2947 -9.2940 -9.2221 -9.2219 -9.0922 -8.9377 -8.8505 -8.8501 -8.7619 -8.7587 -8.5395 -8.5175 -8.4917 -8.4914 -8.4359 -8.3696 -8.2553 -8.2546 -8.2541 -8.1923 -8.0068 -8.0061 -7.9659 -7.9333 -7.9321 -7.9317 -7.9276 -7.8662 -7.8649 -7.8211 -7.8013 -7.7197 -7.7195 -7.6937 -7.6937 -7.6934 -7.6430 -7.5843 -7.5781 -7.5776 -6.9306 -6.7547 -6.2186 -5.7005 -5.6996 -5.4203 -5.1533 -5.1518 -4.9983 -4.1855 -4.1847 -3.7483 -3.6358 -3.5655 -3.5637 -3.0297 -2.6318 -2.6302 -2.5640 -2.2905 -2.2054 -2.2052 -1.8800 -1.5964 -1.5081 -1.5030 -0.9210 -0.0403 0.0465 0.0856 0.1506 0.1510 0.2768 -13.3930 -12.3892 -11.8685 -11.5899 -11.5471 -11.5438 -11.4920 -11.4910 -11.3725 -11.3716 -11.2837 -11.1676 -11.1674 -11.1614 -11.0305 -10.9218 -10.9216 -10.8095 -10.8095 -10.5798 -10.5797 -10.5431 -10.2826 -10.2674 -10.2661 -10.0935 -10.0569 -10.0316 -9.8858 -9.8836 -9.8260 -9.7956 -9.7438 -9.7166 -9.7147 -9.6541 -9.6128 -9.5979 -9.5773 -9.5530 -9.5186 -9.5172 -9.5116 -9.4248 -9.4247 -9.3317 -9.2722 -9.1724 -9.0578 -8.9457 -8.9444 -8.9341 -8.8421 -8.7637 -8.7597 -8.7596 -8.6015 -8.5760 -8.5760 -8.5539 -8.5340 -8.5233 -8.5227 -8.4898 -8.2571 -8.2568 -8.2372 -8.1916 -8.1907 -8.1907 -8.1137 -8.0917 -8.0862 -7.9689 -7.9642 -7.9638 -7.9256 -7.8297 -7.8039 -7.7794 -7.7789 -7.7160 -7.6626 -7.5868 -7.5865 -6.3613 -6.1990 -5.8791 -5.8791 -5.3351 -5.3345 -4.6277 -4.1763 -4.1761 -4.1011 -3.4335 -3.2253 -2.4332 -2.4320 -2.3553 -2.3544 -1.9297 -1.7546 -1.6053 -1.6052 -1.3222 -1.1907 -0.7253 -0.5695 -0.5654 -0.1958 0.2349 0.2400 0.3555 0.3633 0.3670 -12.7935 -12.1907 -11.8867 -11.5670 -11.2705 -11.2262 -11.2254 -11.2237 -11.1768 -11.1758 -11.0914 -10.9377 -10.8818 -10.8815 -10.8692 -10.6957 -10.6950 -10.5626 -10.4913 -10.4909 -10.4041 -10.4040 -10.3838 -10.2858 -10.2856 -10.2340 -10.2002 -10.0352 -10.0351 -10.0141 -9.8848 -9.8288 -9.8285 -9.8163 -9.7116 -9.6909 -9.6869 -9.5931 -9.5925 -9.5613 -9.5179 -9.4276 -9.4268 -9.4268 -9.3663 -9.3486 -9.3486 -9.2360 -9.2359 -9.2169 -9.2137 -9.2097 -9.0800 -9.0500 -9.0440 -8.9871 -8.9858 -8.9392 -8.9333 -8.7572 -8.7455 -8.6735 -8.6732 -8.6650 -8.5779 -8.5763 -8.5342 -8.5079 -8.4934 -8.4756 -8.4752 -8.3915 -8.3503 -8.3210 -8.1916 -8.1498 -7.9949 -7.9948 -7.7832 -7.7754 -7.7752 -7.7603 -7.5773 -7.5772 -7.4643 -6.9757 -5.9280 -5.9280 -5.7212 -5.3741 -5.3740 -5.0025 -4.2375 -4.2374 -3.7134 -2.9086 -2.7475 -2.5357 -2.5357 -2.5354 -2.1653 -1.6202 -1.3268 -1.0913 -1.0908 -0.8490 -0.4941 -0.4564 -0.4555 -0.1956 -0.1868 -0.1643 0.2247 0.2440 0.3501 0.3501 -13.8005 -12.7785 -11.9497 -11.8768 -11.8111 -11.7254 -11.7254 -11.6327 -11.5861 -11.5861 -11.3743 -11.3685 -11.3685 -11.2629 -11.1763 -11.1763 -11.1669 -11.1147 -11.1147 -10.6664 -10.6664 -10.6574 -10.1634 -10.1634 -10.0986 -10.0659 -9.9608 -9.9589 -9.9589 -9.9534 -9.9255 -9.7900 -9.7535 -9.7412 -9.7383 -9.7383 -9.7280 -9.6847 -9.6226 -9.5592 -9.4978 -9.3178 -9.3033 -9.2952 -9.2952 -9.2215 -9.2215 -9.0920 -8.9376 -8.8504 -8.8504 -8.7623 -8.7578 -8.5397 -8.5181 -8.4915 -8.4915 -8.4362 -8.3686 -8.2551 -8.2546 -8.2546 -8.1928 -8.0070 -8.0070 -7.9679 -7.9332 -7.9319 -7.9319 -7.9275 -7.8651 -7.8651 -7.8190 -7.8004 -7.7191 -7.7191 -7.6938 -7.6933 -7.6933 -7.6431 -7.5843 -7.5790 -7.5790 -6.9309 -6.7559 -6.2168 -5.6995 -5.6995 -5.4206 -5.1534 -5.1534 -4.9985 -4.1853 -4.1853 -3.7514 -3.6320 -3.5654 -3.5654 -3.0285 -2.6302 -2.6302 -2.5654 -2.2949 -2.2052 -2.2052 -1.8807 -1.5892 -1.5033 -1.5033 -0.9253 -0.0074 0.0035 0.0427 0.1511 0.1511 0.3210 -13.5249 -12.5118 -11.7341 -11.7328 -11.6920 -11.6549 -11.5059 -11.5053 -11.4963 -11.4171 -11.2752 -11.2745 -11.2121 -11.1486 -11.1485 -11.0085 -11.0085 -10.9201 -10.8682 -10.6038 -10.5948 -10.5947 -10.2978 -10.2100 -10.1249 -10.1245 -10.0563 -10.0263 -9.9022 -9.8651 -9.8646 -9.7905 -9.7138 -9.7084 -9.7069 -9.7061 -9.6611 -9.6475 -9.6165 -9.4895 -9.4817 -9.4806 -9.4405 -9.4244 -9.3701 -9.3336 -9.2439 -9.2436 -8.9649 -8.9641 -8.8971 -8.8743 -8.7859 -8.7744 -8.6440 -8.5735 -8.5734 -8.5261 -8.4817 -8.4817 -8.4620 -8.3739 -8.3711 -8.3095 -8.2713 -8.2711 -8.2024 -8.2016 -8.0991 -8.0555 -8.0548 -8.0271 -7.9272 -7.9268 -7.9109 -7.8512 -7.8444 -7.8397 -7.8392 -7.7948 -7.6599 -7.6586 -7.6417 -7.0334 -7.0330 -6.6521 -6.6509 -6.5221 -5.4178 -5.4170 -4.8585 -4.4973 -4.2570 -3.8289 -3.5431 -3.5156 -3.4093 -3.4084 -3.3561 -2.3668 -2.3392 -2.0609 -1.6324 -1.6324 -1.3980 -1.1417 -1.0799 -1.0792 -0.5873 -0.5625 -0.4991 -0.4873 -0.0719 0.0979 0.1513 0.1978 -13.0130 -12.0466 -11.8891 -11.5324 -11.4418 -11.3106 -11.2791 -11.2384 -11.2253 -11.1958 -11.1810 -11.0536 -10.9971 -10.9102 -10.8901 -10.8530 -10.6727 -10.6687 -10.5782 -10.5048 -10.4693 -10.4348 -10.4081 -10.3565 -10.2431 -10.1955 -10.1888 -10.0423 -9.9457 -9.9418 -9.8950 -9.8806 -9.7842 -9.7752 -9.7258 -9.7232 -9.6806 -9.6668 -9.6550 -9.6347 -9.5728 -9.4895 -9.4813 -9.4160 -9.3613 -9.3192 -9.2300 -9.1239 -9.1099 -9.0988 -9.0783 -9.0528 -9.0384 -9.0305 -8.9947 -8.9433 -8.9267 -8.9258 -8.8962 -8.8319 -8.6482 -8.6378 -8.6344 -8.5725 -8.5366 -8.5168 -8.4261 -8.4029 -8.3961 -8.3672 -8.2477 -8.2472 -8.1289 -8.0820 -8.0047 -7.9908 -7.8605 -7.8533 -7.8411 -7.8317 -7.7820 -7.7151 -7.6686 -7.6675 -7.5588 -6.9759 -6.6591 -6.4847 -5.9482 -5.5344 -4.6348 -4.4731 -4.0386 -3.8963 -3.6339 -3.1238 -3.0717 -2.8002 -2.7085 -2.2323 -2.1370 -1.6225 -1.5885 -1.3270 -1.1736 -1.0208 -1.0116 -0.9006 -0.8826 -0.2652 -0.0064 0.0976 0.1712 0.2836 0.4447 0.5754 -12.3807 -12.3806 -11.6008 -11.6008 -11.3817 -11.1858 -11.1196 -11.1195 -11.0866 -11.0401 -10.8864 -10.8476 -10.8475 -10.7916 -10.6937 -10.6936 -10.6268 -10.5670 -10.5294 -10.4752 -10.3810 -10.3316 -10.3310 -10.3243 -10.3015 -10.2588 -10.2584 -10.2309 -10.0011 -9.9915 -9.9325 -9.8988 -9.8976 -9.7908 -9.7758 -9.7751 -9.7008 -9.6654 -9.6645 -9.6543 -9.6054 -9.5717 -9.5692 -9.4798 -9.4607 -9.4603 -9.4525 -9.3823 -9.3763 -9.2815 -9.2722 -9.2716 -9.0865 -9.0419 -9.0417 -8.9818 -8.9806 -8.9306 -8.8238 -8.8230 -8.7742 -8.7148 -8.6582 -8.5850 -8.5761 -8.5759 -8.5357 -8.4609 -8.4603 -8.4185 -8.4183 -8.3578 -8.2832 -8.2826 -8.1824 -8.1817 -8.0205 -8.0180 -7.8555 -7.8349 -7.8337 -7.8291 -7.6723 -7.6651 -7.1425 -7.1414 -6.9463 -6.6385 -5.5530 -5.2843 -5.2838 -4.7236 -3.9705 -3.6984 -3.1252 -3.1246 -2.8978 -2.4896 -2.4824 -2.1090 -1.9977 -1.9835 -1.4752 -1.3719 -1.0581 -0.9914 -0.8804 -0.8267 -0.4775 -0.4138 -0.4073 -0.1730 0.2376 0.3995 0.4600 0.8893 -13.0129 -12.0466 -11.8891 -11.5311 -11.4418 -11.3104 -11.2807 -11.2382 -11.2242 -11.1963 -11.1809 -11.0533 -10.9969 -10.9096 -10.8904 -10.8530 -10.6736 -10.6686 -10.5781 -10.5050 -10.4698 -10.4349 -10.4081 -10.3564 -10.2442 -10.1953 -10.1876 -10.0406 -9.9456 -9.9416 -9.8951 -9.8809 -9.7846 -9.7774 -9.7262 -9.7254 -9.6800 -9.6682 -9.6545 -9.6343 -9.5750 -9.4895 -9.4775 -9.4169 -9.3612 -9.3194 -9.2298 -9.1238 -9.1100 -9.0996 -9.0788 -9.0522 -9.0384 -9.0310 -8.9936 -8.9443 -8.9270 -8.9258 -8.8955 -8.8322 -8.6474 -8.6379 -8.6335 -8.5723 -8.5348 -8.5164 -8.4264 -8.4041 -8.3964 -8.3675 -8.2477 -8.2475 -8.1295 -8.0816 -8.0048 -7.9908 -7.8623 -7.8534 -7.8410 -7.8318 -7.7808 -7.7151 -7.6681 -7.6676 -7.5573 -6.9759 -6.6594 -6.4854 -5.9477 -5.5341 -4.6346 -4.4734 -4.0385 -3.8960 -3.6334 -3.1161 -3.0726 -2.8127 -2.7071 -2.2325 -2.1358 -1.6286 -1.5572 -1.3308 -1.1717 -1.0536 -1.0082 -0.8863 -0.8744 -0.3392 0.0051 0.0367 0.1707 0.3431 0.6587 0.6966 -13.5248 -12.5117 -11.7328 -11.7328 -11.6919 -11.6547 -11.5060 -11.5060 -11.4971 -11.4163 -11.2749 -11.2749 -11.2122 -11.1484 -11.1484 -11.0085 -11.0085 -10.9202 -10.8681 -10.6038 -10.5949 -10.5949 -10.2987 -10.2103 -10.1233 -10.1233 -10.0571 -10.0265 -9.9010 -9.8672 -9.8672 -9.7907 -9.7148 -9.7069 -9.7069 -9.7062 -9.6628 -9.6449 -9.6161 -9.4891 -9.4818 -9.4818 -9.4411 -9.4235 -9.3702 -9.3336 -9.2440 -9.2440 -8.9649 -8.9649 -8.8960 -8.8766 -8.7849 -8.7738 -8.6440 -8.5736 -8.5736 -8.5252 -8.4810 -8.4810 -8.4619 -8.3752 -8.3713 -8.3085 -8.2710 -8.2710 -8.2020 -8.2020 -8.0996 -8.0556 -8.0556 -8.0265 -7.9273 -7.9273 -7.9115 -7.8523 -7.8438 -7.8397 -7.8397 -7.7953 -7.6579 -7.6579 -7.6412 -7.0332 -7.0332 -6.6520 -6.6520 -6.5217 -5.4174 -5.4174 -4.8580 -4.4983 -4.2554 -3.8288 -3.5362 -3.5133 -3.4086 -3.4086 -3.3656 -2.3691 -2.3388 -2.0457 -1.6322 -1.6322 -1.4209 -1.1455 -1.0792 -1.0792 -0.5560 -0.5560 -0.5108 -0.5108 -0.0718 0.1085 0.1085 0.2997 -13.3932 -12.3892 -11.8699 -11.5900 -11.5475 -11.5431 -11.4911 -11.4911 -11.3725 -11.3725 -11.2832 -11.1676 -11.1676 -11.1617 -11.0306 -10.9219 -10.9219 -10.8094 -10.8094 -10.5794 -10.5794 -10.5432 -10.2810 -10.2670 -10.2670 -10.0929 -10.0575 -10.0313 -9.8829 -9.8829 -9.8251 -9.7954 -9.7433 -9.7170 -9.7170 -9.6557 -9.6132 -9.5992 -9.5765 -9.5530 -9.5182 -9.5182 -9.5116 -9.4238 -9.4238 -9.3317 -9.2722 -9.1715 -9.0575 -8.9454 -8.9454 -8.9325 -8.8427 -8.7642 -8.7595 -8.7595 -8.6016 -8.5763 -8.5763 -8.5523 -8.5346 -8.5232 -8.5232 -8.4898 -8.2566 -8.2566 -8.2371 -8.1924 -8.1912 -8.1912 -8.1142 -8.0911 -8.0877 -7.9689 -7.9633 -7.9633 -7.9258 -7.8312 -7.8021 -7.7783 -7.7783 -7.7153 -7.6608 -7.5882 -7.5882 -6.3618 -6.2002 -5.8791 -5.8791 -5.3351 -5.3351 -4.6283 -4.1757 -4.1757 -4.1020 -3.4429 -3.2115 -2.4327 -2.4327 -2.3550 -2.3550 -1.9555 -1.7513 -1.6056 -1.6055 -1.2840 -1.2278 -0.6387 -0.5660 -0.5660 -0.2052 0.1663 0.2274 0.2274 0.2391 0.3869 -13.0132 -12.0466 -11.8904 -11.5313 -11.4406 -11.3108 -11.2809 -11.2388 -11.2256 -11.1961 -11.1810 -11.0534 -10.9972 -10.9100 -10.8899 -10.8532 -10.6735 -10.6686 -10.5771 -10.5043 -10.4698 -10.4346 -10.4067 -10.3569 -10.2437 -10.1953 -10.1888 -10.0414 -9.9443 -9.9413 -9.8947 -9.8808 -9.7840 -9.7753 -9.7265 -9.7238 -9.6800 -9.6675 -9.6561 -9.6351 -9.5733 -9.4894 -9.4807 -9.4160 -9.3604 -9.3193 -9.2297 -9.1240 -9.1100 -9.0990 -9.0779 -9.0532 -9.0382 -9.0306 -8.9940 -8.9439 -8.9270 -8.9251 -8.8961 -8.8320 -8.6483 -8.6380 -8.6349 -8.5724 -8.5354 -8.5167 -8.4261 -8.4028 -8.3960 -8.3670 -8.2484 -8.2481 -8.1293 -8.0821 -8.0042 -7.9906 -7.8603 -7.8526 -7.8402 -7.8319 -7.7807 -7.7145 -7.6702 -7.6686 -7.5591 -6.9758 -6.6595 -6.4863 -5.9485 -5.5334 -4.6347 -4.4741 -4.0388 -3.8962 -3.6330 -3.1304 -3.0721 -2.7886 -2.7079 -2.2328 -2.1323 -1.6543 -1.6165 -1.3331 -1.1740 -0.9722 -0.9315 -0.8839 -0.8659 -0.3392 -0.2092 -0.0187 0.1740 0.4974 0.6012 0.6716 -12.4446 -11.8490 -11.8482 -11.5954 -11.3093 -11.3078 -11.0399 -10.9619 -10.9355 -10.9123 -10.9113 -10.8672 -10.7923 -10.7758 -10.7757 -10.5337 -10.5127 -10.5120 -10.5032 -10.4972 -10.4540 -10.4537 -10.4473 -10.3114 -10.2829 -10.2809 -10.2807 -10.2446 -10.0814 -10.0813 -10.0573 -9.9048 -9.8976 -9.8664 -9.8178 -9.8177 -9.7954 -9.7953 -9.7687 -9.7152 -9.7147 -9.6415 -9.6114 -9.5241 -9.4890 -9.4885 -9.4310 -9.3284 -9.3125 -9.3120 -9.2665 -9.2633 -9.0902 -9.0563 -9.0551 -9.0237 -8.9188 -8.9172 -8.9133 -8.8600 -8.7181 -8.6227 -8.6136 -8.6128 -8.5648 -8.4541 -8.4535 -8.4132 -8.3975 -8.2701 -8.2563 -8.2281 -8.1075 -8.1072 -8.0980 -8.0980 -8.0321 -7.9064 -7.9059 -7.8427 -7.8410 -7.8156 -7.7384 -7.7382 -7.6630 -7.6627 -7.1706 -6.5460 -6.5446 -5.3722 -4.6261 -4.6252 -3.4379 -3.3498 -3.2514 -2.8145 -2.6026 -2.5017 -2.3378 -2.3338 -2.0928 -1.8603 -1.8365 -1.7976 -1.2122 -1.1500 -1.0449 -0.7360 -0.6618 -0.4486 -0.3311 -0.3016 -0.0916 0.1041 0.3911 0.6477 -12.4443 -11.8484 -11.8484 -11.5957 -11.3087 -11.3087 -11.0382 -10.9622 -10.9350 -10.9118 -10.9118 -10.8663 -10.7938 -10.7751 -10.7751 -10.5339 -10.5127 -10.5127 -10.5036 -10.4984 -10.4544 -10.4544 -10.4472 -10.3115 -10.2831 -10.2806 -10.2806 -10.2433 -10.0809 -10.0809 -10.0576 -9.9042 -9.8981 -9.8661 -9.8179 -9.8179 -9.7955 -9.7955 -9.7703 -9.7156 -9.7156 -9.6426 -9.6114 -9.5240 -9.4894 -9.4894 -9.4279 -9.3283 -9.3124 -9.3124 -9.2664 -9.2643 -9.0899 -9.0554 -9.0554 -9.0249 -8.9173 -8.9173 -8.9116 -8.8610 -8.7177 -8.6243 -8.6128 -8.6128 -8.5647 -8.4544 -8.4544 -8.4132 -8.3964 -8.2698 -8.2558 -8.2291 -8.1073 -8.1073 -8.0980 -8.0980 -8.0327 -7.9076 -7.9063 -7.8409 -7.8409 -7.8153 -7.7383 -7.7383 -7.6629 -7.6629 -7.1690 -6.5458 -6.5458 -5.3713 -4.6259 -4.6259 -3.4366 -3.3521 -3.2524 -2.8140 -2.5872 -2.4998 -2.3353 -2.3353 -2.1240 -1.8508 -1.8508 -1.7983 -1.1783 -1.1783 -0.9399 -0.7344 -0.6626 -0.5790 -0.3034 -0.2445 -0.2445 0.2760 0.2760 0.6458 -12.7938 -12.1917 -11.8865 -11.5662 -11.2710 -11.2263 -11.2263 -11.2241 -11.1774 -11.1774 -11.0922 -10.9388 -10.8806 -10.8806 -10.8684 -10.6956 -10.6956 -10.5611 -10.4907 -10.4907 -10.4036 -10.4036 -10.3841 -10.2860 -10.2860 -10.2334 -10.2003 -10.0346 -10.0346 -10.0123 -9.8854 -9.8277 -9.8277 -9.8159 -9.7127 -9.6895 -9.6868 -9.5936 -9.5936 -9.5631 -9.5195 -9.4271 -9.4269 -9.4269 -9.3644 -9.3486 -9.3486 -9.2360 -9.2360 -9.2161 -9.2123 -9.2096 -9.0795 -9.0502 -9.0431 -8.9868 -8.9868 -8.9399 -8.9333 -8.7571 -8.7457 -8.6731 -8.6731 -8.6662 -8.5771 -8.5771 -8.5326 -8.5078 -8.4936 -8.4761 -8.4761 -8.3915 -8.3488 -8.3206 -8.1927 -8.1509 -7.9944 -7.9944 -7.7816 -7.7743 -7.7743 -7.7591 -7.5789 -7.5789 -7.4659 -6.9774 -5.9281 -5.9281 -5.7219 -5.3742 -5.3742 -5.0034 -4.2367 -4.2367 -3.7133 -2.9259 -2.7449 -2.5354 -2.5354 -2.5032 -2.1915 -1.5546 -1.4155 -1.0924 -1.0924 -0.7286 -0.7046 -0.4570 -0.4570 -0.1970 -0.1970 0.1123 0.2619 0.2619 0.3506 0.3506 -12.3813 -12.3813 -11.6003 -11.6003 -11.3816 -11.1873 -11.1201 -11.1201 -11.0878 -11.0413 -10.8852 -10.8487 -10.8487 -10.7895 -10.6926 -10.6926 -10.6276 -10.5666 -10.5282 -10.4754 -10.3806 -10.3312 -10.3312 -10.3257 -10.3011 -10.2579 -10.2579 -10.2302 -10.0005 -9.9916 -9.9325 -9.8984 -9.8984 -9.7894 -9.7754 -9.7754 -9.7007 -9.6649 -9.6649 -9.6544 -9.6054 -9.5699 -9.5699 -9.4810 -9.4603 -9.4603 -9.4525 -9.3812 -9.3766 -9.2816 -9.2720 -9.2720 -9.0862 -9.0421 -9.0421 -8.9808 -8.9808 -8.9319 -8.8234 -8.8234 -8.7756 -8.7139 -8.6578 -8.5855 -8.5759 -8.5759 -8.5350 -8.4604 -8.4604 -8.4181 -8.4181 -8.3588 -8.2823 -8.2823 -8.1831 -8.1831 -8.0199 -8.0179 -7.8547 -7.8333 -7.8333 -7.8281 -7.6735 -7.6670 -7.1433 -7.1433 -6.9463 -6.6387 -5.5521 -5.2848 -5.2848 -4.7236 -3.9705 -3.6977 -3.1236 -3.1236 -2.8963 -2.5050 -2.5050 -2.1127 -1.9482 -1.9482 -1.4749 -1.3776 -1.0587 -0.9866 -0.9866 -0.9698 -0.4069 -0.2725 -0.2725 -0.2366 0.2373 0.4044 0.6085 0.8244</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="1856">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99371 0.01888 0.01550 0.01550 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00012 0.78682 0.78395 -0.02853 -0.00202 -0.00195 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00020 1.03530 1.03530 -0.02928 -0.02916 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02756 1.02757 0.85190 -0.03519 -0.03518 -0.00005 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00013 0.78355 0.78355 -0.02841 -0.00202 -0.00202 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -0.02948 -0.02978 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02292 0.14900 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.20732 -0.01783 -0.01772 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02304 0.14829 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -0.02963 -0.02963 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00020 1.03530 1.03530 -0.02929 -0.02929 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02286 0.14627 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -0.03507 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -0.03500 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02755 1.02755 0.85403 -0.03520 -0.03520 -0.00005 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.20441 -0.01794 -0.01794 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">2</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1856">-13.9426 -12.9184 -12.0866 -11.9954 -11.8126 -11.8115 -11.8115 -11.6755 -11.6755 -11.6752 -11.4280 -11.4280 -11.4277 -11.2714 -11.2713 -11.2713 -11.2275 -11.2275 -11.2273 -10.6993 -10.6993 -10.6991 -10.1189 -10.1182 -10.1182 -10.0067 -10.0067 -10.0046 -9.9461 -9.9305 -9.8728 -9.8726 -9.8136 -9.8130 -9.7544 -9.7530 -9.7530 -9.6394 -9.6392 -9.5775 -9.5775 -9.2021 -9.2021 -9.2008 -9.1929 -9.1067 -9.1067 -9.1066 -8.8591 -8.8588 -8.8588 -8.7042 -8.6998 -8.5546 -8.5537 -8.4317 -8.4314 -8.4314 -8.1936 -8.1932 -8.1680 -8.1666 -8.1666 -7.8868 -7.8868 -7.8865 -7.8286 -7.8257 -7.8155 -7.8155 -7.8152 -7.6886 -7.6886 -7.6875 -7.6034 -7.6031 -7.6031 -7.5300 -7.5300 -7.5299 -7.4850 -7.4848 -7.4848 -7.2322 -5.7905 -5.4742 -5.4718 -5.4718 -4.7995 -4.7995 -4.7969 -4.4637 -4.4637 -4.4633 -4.2426 -4.2426 -4.2386 -3.8533 -3.7708 -2.7457 -2.7421 -2.7421 -2.5405 -2.5403 -2.5403 -2.4103 -1.6862 -1.5990 -1.5938 -1.5938 -0.3414 -0.3412 -0.3412 0.0070 0.1469 1.2288 -13.8005 -12.7784 -11.9497 -11.8767 -11.8098 -11.7265 -11.7253 -11.6330 -11.5861 -11.5858 -11.3746 -11.3684 -11.3682 -11.2628 -11.1763 -11.1763 -11.1669 -11.1147 -11.1146 -10.6664 -10.6663 -10.6575 -10.1638 -10.1626 -10.0983 -10.0666 -9.9609 -9.9596 -9.9573 -9.9551 -9.9255 -9.7899 -9.7538 -9.7406 -9.7397 -9.7385 -9.7266 -9.6847 -9.6225 -9.5591 -9.4978 -9.3177 -9.3045 -9.2947 -9.2940 -9.2221 -9.2219 -9.0922 -8.9377 -8.8505 -8.8501 -8.7619 -8.7587 -8.5395 -8.5175 -8.4917 -8.4914 -8.4359 -8.3696 -8.2553 -8.2546 -8.2541 -8.1923 -8.0068 -8.0061 -7.9659 -7.9333 -7.9321 -7.9317 -7.9276 -7.8662 -7.8649 -7.8211 -7.8013 -7.7197 -7.7195 -7.6937 -7.6937 -7.6934 -7.6430 -7.5843 -7.5781 -7.5776 -6.9306 -6.7547 -6.2186 -5.7005 -5.6996 -5.4203 -5.1533 -5.1518 -4.9983 -4.1855 -4.1847 -3.7483 -3.6358 -3.5655 -3.5637 -3.0297 -2.6318 -2.6302 -2.5640 -2.2904 -2.2054 -2.2052 -1.8800 -1.5964 -1.5081 -1.5030 -0.9210 -0.0403 0.0465 0.0856 0.1506 0.1510 0.2768 -13.3930 -12.3892 -11.8685 -11.5899 -11.5471 -11.5438 -11.4920 -11.4910 -11.3725 -11.3716 -11.2837 -11.1676 -11.1674 -11.1614 -11.0305 -10.9218 -10.9216 -10.8095 -10.8095 -10.5798 -10.5797 -10.5431 -10.2826 -10.2674 -10.2661 -10.0935 -10.0569 -10.0316 -9.8858 -9.8836 -9.8260 -9.7956 -9.7438 -9.7166 -9.7147 -9.6541 -9.6128 -9.5979 -9.5773 -9.5530 -9.5186 -9.5172 -9.5116 -9.4248 -9.4247 -9.3317 -9.2722 -9.1724 -9.0578 -8.9457 -8.9444 -8.9341 -8.8421 -8.7637 -8.7597 -8.7596 -8.6015 -8.5760 -8.5760 -8.5539 -8.5340 -8.5233 -8.5227 -8.4898 -8.2571 -8.2568 -8.2372 -8.1916 -8.1907 -8.1907 -8.1137 -8.0917 -8.0862 -7.9689 -7.9642 -7.9638 -7.9256 -7.8297 -7.8039 -7.7794 -7.7789 -7.7160 -7.6626 -7.5868 -7.5865 -6.3613 -6.1990 -5.8791 -5.8791 -5.3351 -5.3345 -4.6277 -4.1763 -4.1761 -4.1011 -3.4335 -3.2253 -2.4332 -2.4320 -2.3553 -2.3544 -1.9296 -1.7546 -1.6053 -1.6052 -1.3222 -1.1907 -0.7253 -0.5695 -0.5654 -0.1958 0.2349 0.2400 0.3555 0.3633 0.3671 -12.7935 -12.1907 -11.8867 -11.5670 -11.2705 -11.2262 -11.2254 -11.2237 -11.1768 -11.1758 -11.0914 -10.9377 -10.8818 -10.8815 -10.8692 -10.6957 -10.6950 -10.5626 -10.4913 -10.4909 -10.4041 -10.4040 -10.3838 -10.2858 -10.2856 -10.2340 -10.2002 -10.0352 -10.0351 -10.0141 -9.8848 -9.8288 -9.8285 -9.8163 -9.7116 -9.6909 -9.6869 -9.5931 -9.5925 -9.5613 -9.5179 -9.4276 -9.4268 -9.4268 -9.3663 -9.3486 -9.3486 -9.2360 -9.2359 -9.2169 -9.2137 -9.2097 -9.0800 -9.0500 -9.0440 -8.9871 -8.9858 -8.9392 -8.9333 -8.7572 -8.7455 -8.6735 -8.6732 -8.6650 -8.5779 -8.5763 -8.5342 -8.5079 -8.4934 -8.4756 -8.4752 -8.3915 -8.3503 -8.3210 -8.1916 -8.1498 -7.9949 -7.9948 -7.7832 -7.7754 -7.7752 -7.7603 -7.5773 -7.5772 -7.4643 -6.9757 -5.9280 -5.9280 -5.7212 -5.3741 -5.3740 -5.0025 -4.2375 -4.2374 -3.7134 -2.9086 -2.7475 -2.5357 -2.5357 -2.5354 -2.1653 -1.6202 -1.3267 -1.0913 -1.0908 -0.8490 -0.4940 -0.4564 -0.4555 -0.1956 -0.1868 -0.1643 0.2247 0.2440 0.3501 0.3501 -13.8005 -12.7785 -11.9497 -11.8768 -11.8111 -11.7254 -11.7254 -11.6327 -11.5861 -11.5861 -11.3743 -11.3685 -11.3685 -11.2629 -11.1763 -11.1763 -11.1669 -11.1147 -11.1147 -10.6664 -10.6664 -10.6574 -10.1634 -10.1634 -10.0986 -10.0659 -9.9608 -9.9589 -9.9589 -9.9534 -9.9255 -9.7900 -9.7535 -9.7412 -9.7383 -9.7383 -9.7280 -9.6847 -9.6226 -9.5592 -9.4978 -9.3178 -9.3033 -9.2952 -9.2952 -9.2215 -9.2215 -9.0920 -8.9376 -8.8504 -8.8504 -8.7623 -8.7578 -8.5397 -8.5181 -8.4915 -8.4915 -8.4362 -8.3686 -8.2551 -8.2546 -8.2546 -8.1928 -8.0070 -8.0070 -7.9679 -7.9332 -7.9319 -7.9319 -7.9275 -7.8651 -7.8651 -7.8190 -7.8004 -7.7191 -7.7191 -7.6938 -7.6933 -7.6933 -7.6431 -7.5843 -7.5790 -7.5790 -6.9309 -6.7559 -6.2168 -5.6995 -5.6995 -5.4206 -5.1534 -5.1534 -4.9985 -4.1853 -4.1853 -3.7514 -3.6320 -3.5654 -3.5654 -3.0285 -2.6302 -2.6302 -2.5654 -2.2948 -2.2052 -2.2052 -1.8807 -1.5892 -1.5033 -1.5033 -0.9254 -0.0074 0.0035 0.0427 0.1511 0.1511 0.3210 -13.5249 -12.5118 -11.7341 -11.7328 -11.6920 -11.6549 -11.5059 -11.5053 -11.4963 -11.4171 -11.2752 -11.2745 -11.2121 -11.1486 -11.1485 -11.0085 -11.0085 -10.9201 -10.8682 -10.6038 -10.5948 -10.5947 -10.2978 -10.2100 -10.1249 -10.1245 -10.0563 -10.0263 -9.9022 -9.8651 -9.8646 -9.7905 -9.7138 -9.7084 -9.7069 -9.7061 -9.6611 -9.6475 -9.6165 -9.4895 -9.4817 -9.4806 -9.4405 -9.4244 -9.3701 -9.3336 -9.2439 -9.2436 -8.9649 -8.9641 -8.8971 -8.8743 -8.7859 -8.7744 -8.6440 -8.5735 -8.5734 -8.5261 -8.4817 -8.4817 -8.4620 -8.3739 -8.3711 -8.3095 -8.2713 -8.2711 -8.2024 -8.2016 -8.0991 -8.0555 -8.0548 -8.0271 -7.9272 -7.9268 -7.9109 -7.8512 -7.8444 -7.8397 -7.8392 -7.7948 -7.6599 -7.6586 -7.6417 -7.0334 -7.0330 -6.6521 -6.6509 -6.5221 -5.4178 -5.4170 -4.8585 -4.4973 -4.2570 -3.8289 -3.5431 -3.5156 -3.4093 -3.4084 -3.3561 -2.3668 -2.3392 -2.0608 -1.6324 -1.6324 -1.3980 -1.1417 -1.0799 -1.0792 -0.5873 -0.5625 -0.4991 -0.4873 -0.0719 0.0979 0.1513 0.1979 -13.0130 -12.0466 -11.8891 -11.5324 -11.4418 -11.3106 -11.2791 -11.2384 -11.2253 -11.1958 -11.1810 -11.0536 -10.9971 -10.9102 -10.8901 -10.8530 -10.6727 -10.6687 -10.5782 -10.5048 -10.4693 -10.4348 -10.4081 -10.3565 -10.2431 -10.1955 -10.1888 -10.0423 -9.9457 -9.9418 -9.8950 -9.8806 -9.7842 -9.7752 -9.7258 -9.7232 -9.6806 -9.6668 -9.6550 -9.6347 -9.5728 -9.4895 -9.4813 -9.4160 -9.3613 -9.3192 -9.2300 -9.1239 -9.1099 -9.0988 -9.0783 -9.0528 -9.0384 -9.0305 -8.9947 -8.9433 -8.9267 -8.9258 -8.8962 -8.8319 -8.6482 -8.6378 -8.6344 -8.5725 -8.5366 -8.5168 -8.4261 -8.4029 -8.3961 -8.3672 -8.2477 -8.2472 -8.1289 -8.0820 -8.0047 -7.9908 -7.8605 -7.8533 -7.8411 -7.8317 -7.7820 -7.7151 -7.6686 -7.6675 -7.5588 -6.9759 -6.6591 -6.4847 -5.9482 -5.5344 -4.6348 -4.4731 -4.0386 -3.8963 -3.6339 -3.1238 -3.0717 -2.8002 -2.7085 -2.2323 -2.1370 -1.6225 -1.5884 -1.3270 -1.1736 -1.0207 -1.0116 -0.9006 -0.8826 -0.2652 -0.0064 0.0976 0.1712 0.2836 0.4448 0.5754 -12.3807 -12.3806 -11.6008 -11.6008 -11.3817 -11.1858 -11.1196 -11.1195 -11.0866 -11.0401 -10.8864 -10.8476 -10.8475 -10.7916 -10.6937 -10.6936 -10.6268 -10.5670 -10.5294 -10.4752 -10.3810 -10.3316 -10.3310 -10.3243 -10.3015 -10.2588 -10.2584 -10.2309 -10.0011 -9.9915 -9.9325 -9.8988 -9.8976 -9.7908 -9.7758 -9.7751 -9.7008 -9.6654 -9.6645 -9.6543 -9.6054 -9.5717 -9.5692 -9.4798 -9.4607 -9.4603 -9.4525 -9.3823 -9.3763 -9.2815 -9.2722 -9.2716 -9.0865 -9.0419 -9.0417 -8.9818 -8.9806 -8.9306 -8.8238 -8.8230 -8.7742 -8.7148 -8.6582 -8.5850 -8.5761 -8.5759 -8.5357 -8.4609 -8.4603 -8.4185 -8.4183 -8.3578 -8.2832 -8.2826 -8.1824 -8.1817 -8.0205 -8.0180 -7.8555 -7.8349 -7.8337 -7.8291 -7.6723 -7.6651 -7.1425 -7.1414 -6.9463 -6.6385 -5.5530 -5.2843 -5.2838 -4.7236 -3.9705 -3.6984 -3.1252 -3.1246 -2.8978 -2.4896 -2.4824 -2.1090 -1.9976 -1.9835 -1.4752 -1.3719 -1.0581 -0.9914 -0.8803 -0.8266 -0.4775 -0.4138 -0.4073 -0.1730 0.2376 0.3995 0.4601 0.8894 -13.0129 -12.0466 -11.8891 -11.5311 -11.4418 -11.3104 -11.2807 -11.2382 -11.2242 -11.1963 -11.1809 -11.0533 -10.9969 -10.9096 -10.8904 -10.8530 -10.6736 -10.6686 -10.5781 -10.5050 -10.4698 -10.4349 -10.4081 -10.3564 -10.2442 -10.1953 -10.1876 -10.0406 -9.9456 -9.9416 -9.8951 -9.8809 -9.7846 -9.7774 -9.7262 -9.7254 -9.6800 -9.6682 -9.6545 -9.6343 -9.5750 -9.4895 -9.4775 -9.4169 -9.3612 -9.3194 -9.2298 -9.1238 -9.1100 -9.0996 -9.0788 -9.0522 -9.0384 -9.0310 -8.9936 -8.9443 -8.9270 -8.9258 -8.8955 -8.8322 -8.6474 -8.6379 -8.6335 -8.5723 -8.5348 -8.5164 -8.4264 -8.4041 -8.3964 -8.3675 -8.2477 -8.2475 -8.1295 -8.0816 -8.0048 -7.9908 -7.8623 -7.8534 -7.8410 -7.8318 -7.7808 -7.7151 -7.6681 -7.6676 -7.5573 -6.9759 -6.6594 -6.4854 -5.9477 -5.5341 -4.6346 -4.4734 -4.0385 -3.8960 -3.6334 -3.1161 -3.0726 -2.8127 -2.7071 -2.2325 -2.1358 -1.6286 -1.5571 -1.3308 -1.1717 -1.0536 -1.0081 -0.8863 -0.8744 -0.3392 0.0051 0.0368 0.1707 0.3431 0.6587 0.6966 -13.5248 -12.5117 -11.7328 -11.7328 -11.6919 -11.6547 -11.5060 -11.5060 -11.4971 -11.4163 -11.2749 -11.2749 -11.2122 -11.1484 -11.1484 -11.0085 -11.0085 -10.9202 -10.8681 -10.6038 -10.5949 -10.5949 -10.2987 -10.2103 -10.1233 -10.1233 -10.0571 -10.0265 -9.9010 -9.8672 -9.8672 -9.7907 -9.7148 -9.7069 -9.7069 -9.7062 -9.6628 -9.6449 -9.6161 -9.4891 -9.4818 -9.4818 -9.4411 -9.4235 -9.3702 -9.3336 -9.2440 -9.2440 -8.9649 -8.9649 -8.8960 -8.8766 -8.7849 -8.7738 -8.6440 -8.5736 -8.5736 -8.5252 -8.4810 -8.4810 -8.4619 -8.3752 -8.3713 -8.3085 -8.2710 -8.2710 -8.2020 -8.2020 -8.0996 -8.0556 -8.0556 -8.0265 -7.9273 -7.9273 -7.9115 -7.8523 -7.8438 -7.8397 -7.8397 -7.7953 -7.6579 -7.6579 -7.6412 -7.0332 -7.0332 -6.6520 -6.6520 -6.5217 -5.4174 -5.4174 -4.8580 -4.4983 -4.2554 -3.8288 -3.5362 -3.5133 -3.4086 -3.4086 -3.3656 -2.3691 -2.3388 -2.0456 -1.6322 -1.6322 -1.4209 -1.1455 -1.0792 -1.0792 -0.5560 -0.5560 -0.5108 -0.5108 -0.0718 0.1085 0.1085 0.2997 -13.3932 -12.3892 -11.8699 -11.5900 -11.5475 -11.5431 -11.4911 -11.4911 -11.3725 -11.3725 -11.2832 -11.1676 -11.1676 -11.1617 -11.0306 -10.9219 -10.9219 -10.8094 -10.8094 -10.5794 -10.5794 -10.5432 -10.2810 -10.2670 -10.2670 -10.0929 -10.0575 -10.0313 -9.8829 -9.8829 -9.8251 -9.7954 -9.7433 -9.7170 -9.7170 -9.6557 -9.6132 -9.5992 -9.5765 -9.5530 -9.5182 -9.5182 -9.5116 -9.4238 -9.4238 -9.3317 -9.2722 -9.1715 -9.0575 -8.9454 -8.9454 -8.9325 -8.8427 -8.7642 -8.7595 -8.7595 -8.6016 -8.5763 -8.5763 -8.5523 -8.5346 -8.5232 -8.5232 -8.4898 -8.2566 -8.2566 -8.2371 -8.1924 -8.1912 -8.1912 -8.1142 -8.0911 -8.0877 -7.9689 -7.9633 -7.9633 -7.9258 -7.8312 -7.8021 -7.7783 -7.7783 -7.7153 -7.6608 -7.5882 -7.5882 -6.3618 -6.2002 -5.8791 -5.8791 -5.3351 -5.3351 -4.6283 -4.1757 -4.1757 -4.1020 -3.4429 -3.2115 -2.4327 -2.4327 -2.3550 -2.3550 -1.9554 -1.7513 -1.6056 -1.6055 -1.2840 -1.2277 -0.6387 -0.5660 -0.5660 -0.2052 0.1663 0.2274 0.2274 0.2391 0.3869 -13.0132 -12.0466 -11.8904 -11.5313 -11.4406 -11.3108 -11.2809 -11.2388 -11.2256 -11.1961 -11.1810 -11.0534 -10.9972 -10.9100 -10.8899 -10.8532 -10.6735 -10.6686 -10.5771 -10.5043 -10.4698 -10.4346 -10.4067 -10.3569 -10.2437 -10.1953 -10.1888 -10.0414 -9.9443 -9.9413 -9.8947 -9.8808 -9.7840 -9.7753 -9.7265 -9.7238 -9.6800 -9.6675 -9.6561 -9.6351 -9.5733 -9.4894 -9.4807 -9.4160 -9.3604 -9.3193 -9.2297 -9.1240 -9.1100 -9.0990 -9.0779 -9.0532 -9.0382 -9.0306 -8.9940 -8.9439 -8.9270 -8.9251 -8.8961 -8.8320 -8.6483 -8.6380 -8.6349 -8.5724 -8.5354 -8.5167 -8.4261 -8.4028 -8.3960 -8.3670 -8.2484 -8.2481 -8.1293 -8.0821 -8.0042 -7.9906 -7.8603 -7.8526 -7.8402 -7.8319 -7.7807 -7.7145 -7.6702 -7.6686 -7.5591 -6.9758 -6.6595 -6.4863 -5.9485 -5.5334 -4.6347 -4.4741 -4.0388 -3.8962 -3.6330 -3.1304 -3.0721 -2.7886 -2.7079 -2.2328 -2.1323 -1.6543 -1.6165 -1.3331 -1.1740 -0.9722 -0.9315 -0.8839 -0.8659 -0.3392 -0.2091 -0.0187 0.1740 0.4974 0.6012 0.6717 -12.4446 -11.8490 -11.8482 -11.5954 -11.3093 -11.3078 -11.0399 -10.9619 -10.9355 -10.9123 -10.9113 -10.8672 -10.7923 -10.7758 -10.7757 -10.5337 -10.5127 -10.5120 -10.5032 -10.4972 -10.4540 -10.4537 -10.4473 -10.3114 -10.2829 -10.2809 -10.2807 -10.2446 -10.0814 -10.0813 -10.0573 -9.9048 -9.8976 -9.8664 -9.8178 -9.8177 -9.7954 -9.7953 -9.7687 -9.7152 -9.7147 -9.6415 -9.6114 -9.5241 -9.4890 -9.4885 -9.4310 -9.3284 -9.3125 -9.3120 -9.2665 -9.2633 -9.0902 -9.0563 -9.0551 -9.0237 -8.9188 -8.9172 -8.9133 -8.8600 -8.7181 -8.6227 -8.6136 -8.6128 -8.5648 -8.4541 -8.4535 -8.4132 -8.3975 -8.2701 -8.2563 -8.2281 -8.1075 -8.1072 -8.0980 -8.0980 -8.0321 -7.9064 -7.9059 -7.8427 -7.8410 -7.8156 -7.7384 -7.7382 -7.6630 -7.6627 -7.1706 -6.5460 -6.5446 -5.3722 -4.6261 -4.6252 -3.4379 -3.3498 -3.2514 -2.8145 -2.6026 -2.5017 -2.3378 -2.3338 -2.0928 -1.8603 -1.8365 -1.7976 -1.2122 -1.1500 -1.0449 -0.7360 -0.6618 -0.4486 -0.3311 -0.3016 -0.0916 0.1041 0.3911 0.6477 -12.4443 -11.8484 -11.8484 -11.5957 -11.3087 -11.3087 -11.0382 -10.9622 -10.9350 -10.9118 -10.9118 -10.8663 -10.7938 -10.7751 -10.7751 -10.5339 -10.5127 -10.5127 -10.5036 -10.4984 -10.4544 -10.4544 -10.4472 -10.3115 -10.2831 -10.2806 -10.2806 -10.2433 -10.0809 -10.0809 -10.0576 -9.9042 -9.8981 -9.8661 -9.8179 -9.8179 -9.7955 -9.7955 -9.7703 -9.7156 -9.7156 -9.6426 -9.6114 -9.5240 -9.4894 -9.4894 -9.4279 -9.3283 -9.3124 -9.3124 -9.2664 -9.2643 -9.0899 -9.0554 -9.0554 -9.0249 -8.9173 -8.9173 -8.9116 -8.8610 -8.7177 -8.6243 -8.6128 -8.6128 -8.5647 -8.4544 -8.4544 -8.4132 -8.3964 -8.2698 -8.2558 -8.2291 -8.1073 -8.1073 -8.0980 -8.0980 -8.0327 -7.9076 -7.9063 -7.8409 -7.8409 -7.8153 -7.7383 -7.7383 -7.6629 -7.6629 -7.1690 -6.5458 -6.5458 -5.3713 -4.6259 -4.6259 -3.4366 -3.3521 -3.2524 -2.8140 -2.5872 -2.4998 -2.3353 -2.3353 -2.1239 -1.8508 -1.8508 -1.7983 -1.1783 -1.1783 -0.9398 -0.7344 -0.6626 -0.5790 -0.3034 -0.2445 -0.2445 0.2760 0.2760 0.6458 -12.7938 -12.1917 -11.8865 -11.5662 -11.2710 -11.2263 -11.2263 -11.2241 -11.1774 -11.1774 -11.0922 -10.9388 -10.8806 -10.8806 -10.8684 -10.6956 -10.6956 -10.5611 -10.4907 -10.4907 -10.4036 -10.4036 -10.3841 -10.2860 -10.2860 -10.2334 -10.2003 -10.0346 -10.0346 -10.0123 -9.8854 -9.8277 -9.8277 -9.8159 -9.7127 -9.6895 -9.6868 -9.5936 -9.5936 -9.5631 -9.5195 -9.4271 -9.4269 -9.4269 -9.3644 -9.3486 -9.3486 -9.2360 -9.2360 -9.2161 -9.2123 -9.2096 -9.0795 -9.0502 -9.0431 -8.9868 -8.9868 -8.9399 -8.9333 -8.7571 -8.7457 -8.6731 -8.6731 -8.6662 -8.5771 -8.5771 -8.5326 -8.5078 -8.4936 -8.4761 -8.4761 -8.3915 -8.3488 -8.3206 -8.1927 -8.1509 -7.9944 -7.9944 -7.7816 -7.7743 -7.7743 -7.7591 -7.5789 -7.5789 -7.4659 -6.9774 -5.9281 -5.9281 -5.7219 -5.3742 -5.3742 -5.0034 -4.2367 -4.2367 -3.7133 -2.9259 -2.7449 -2.5354 -2.5354 -2.5032 -2.1915 -1.5546 -1.4155 -1.0924 -1.0924 -0.7286 -0.7045 -0.4570 -0.4570 -0.1970 -0.1970 0.1123 0.2619 0.2619 0.3506 0.3506 -12.3813 -12.3813 -11.6003 -11.6003 -11.3816 -11.1873 -11.1201 -11.1201 -11.0878 -11.0413 -10.8852 -10.8487 -10.8487 -10.7895 -10.6926 -10.6926 -10.6276 -10.5666 -10.5282 -10.4754 -10.3806 -10.3312 -10.3312 -10.3257 -10.3011 -10.2579 -10.2579 -10.2302 -10.0005 -9.9916 -9.9325 -9.8984 -9.8984 -9.7894 -9.7754 -9.7754 -9.7007 -9.6649 -9.6649 -9.6544 -9.6054 -9.5699 -9.5699 -9.4810 -9.4603 -9.4603 -9.4525 -9.3812 -9.3766 -9.2816 -9.2720 -9.2720 -9.0862 -9.0421 -9.0421 -8.9808 -8.9808 -8.9319 -8.8234 -8.8234 -8.7756 -8.7139 -8.6578 -8.5855 -8.5759 -8.5759 -8.5350 -8.4604 -8.4604 -8.4181 -8.4181 -8.3588 -8.2823 -8.2823 -8.1831 -8.1831 -8.0199 -8.0179 -7.8547 -7.8333 -7.8333 -7.8281 -7.6735 -7.6670 -7.1433 -7.1433 -6.9463 -6.6387 -5.5521 -5.2848 -5.2848 -4.7236 -3.9705 -3.6977 -3.1236 -3.1236 -2.8963 -2.5050 -2.5050 -2.1127 -1.9482 -1.9482 -1.4749 -1.3776 -1.0587 -0.9866 -0.9866 -0.9698 -0.4069 -0.2725 -0.2725 -0.2366 0.2373 0.4044 0.6085 0.8245</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="1856">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99371 0.01888 0.01550 0.01550 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00012 0.78682 0.78395 -0.02853 -0.00202 -0.00195 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00020 1.03530 1.03530 -0.02928 -0.02916 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02756 1.02757 0.85190 -0.03519 -0.03518 -0.00005 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00013 0.78355 0.78355 -0.02841 -0.00202 -0.00202 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -0.02948 -0.02978 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02292 0.14900 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.20732 -0.01783 -0.01772 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02304 0.14829 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -0.02963 -0.02963 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00020 1.03530 1.03530 -0.02929 -0.02929 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02286 0.14627 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -0.03507 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 -0.03500 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.02755 1.02755 0.85403 -0.03520 -0.03520 -0.00005 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.20441 -0.01794 -0.01794 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="48"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="8"
                          units="nonsi2:ev.angstrom-1">0.000749 0.000433 -0.075151 0.000749 0.000433 -0.075151 0.000749 0.000433 -0.075151 0.000749 0.000433 -0.075151 -0.000878 -0.000508 0.036574 -0.000878 -0.000508 0.036574 -0.000878 -0.000508 0.036574 -0.000878 -0.000508 0.036574 0.002984 0.001727 -0.021550 0.002984 0.001727 -0.021550 0.002984 0.001727 -0.021550 0.002984 0.001727 -0.021550 -0.002855 -0.001652 0.060127 -0.002855 -0.001652 0.060127 -0.002855 -0.001652 0.060127 -0.002855 -0.001652 0.060127 0.000551 0.000319 -0.074616 0.000551 0.000319 -0.074616 0.000551 0.000319 -0.074616 0.000551 0.000319 -0.074616 -0.001001 -0.000580 0.036112 -0.001001 -0.000580 0.036112 -0.001001 -0.000580 0.036112 -0.001001 -0.000580 0.036112 0.002712 0.001570 -0.018968 0.002712 0.001570 -0.018968 0.002712 0.001570 -0.018968 0.002712 0.001570 -0.018968 -0.002262 -0.001309 0.057472 -0.002262 -0.001309 0.057472 -0.002262 -0.001309 0.057472 -0.002262 -0.001309 0.057472 0.000911 0.000528 -0.072772 0.000911 0.000528 -0.072772 0.000911 0.000528 -0.072772 0.000911 0.000528 -0.072772 -0.000420 -0.000243 0.034978 -0.000420 -0.000243 0.034978 -0.000420 -0.000243 0.034978 -0.000420 -0.000243 0.034978 0.002077 0.001202 -0.008403 0.002077 0.001202 -0.008403 0.002077 0.001202 -0.008403 0.002077 0.001202 -0.008403 -0.002569 -0.001487 0.046196 -0.002569 -0.001487 0.046196 -0.002569 -0.001487 0.046196 -0.002569 -0.001487 0.046196 0.001108 0.000641 -0.072869 0.001108 0.000641 -0.072869 0.001108 0.000641 -0.072869 0.001108 0.000641 -0.072869 0.000211 0.000122 0.028894 0.000211 0.000122 0.028894 0.000211 0.000122 0.028894 0.000211 0.000122 0.028894 0.000308 0.000178 0.007657 0.000308 0.000178 0.007657 0.000308 0.000178 0.007657 0.000308 0.000178 0.007657 -0.001627 -0.000942 0.036319 -0.001627 -0.000942 0.036319 -0.001627 -0.000942 0.036319 -0.001627 -0.000942 0.036319 0.000220 0.000127 -0.069127 0.000220 0.000127 -0.069127 0.000220 0.000127 -0.069127 0.000220 0.000127 -0.069127 0.000191 0.000111 0.020763 0.000191 0.000111 0.020763 0.000191 0.000111 0.020763 0.000191 0.000111 0.020763 -0.001926 -0.001114 0.036215 -0.001926 -0.001114 0.036215 -0.001926 -0.001114 0.036215 -0.001926 -0.001114 0.036215 0.001514 0.000877 0.012149 0.001514 0.000877 0.012149 0.001514 0.000877 0.012149 0.001514 0.000877 0.012149 -0.000204 -0.000118 -0.070849 -0.000204 -0.000118 -0.070849 -0.000204 -0.000118 -0.070849 -0.000204 -0.000118 -0.070849 -0.000542 -0.000314 0.024109 -0.000542 -0.000314 0.024109 -0.000542 -0.000314 0.024109 -0.000542 -0.000314 0.024109 -0.002077 -0.001202 0.034313 -0.002077 -0.001202 0.034313 -0.002077 -0.001202 0.034313 -0.002077 -0.001202 0.034313 0.002823 0.001634 0.012427 0.002823 0.001634 0.012427 0.002823 0.001634 0.012427 0.002823 0.001634 0.012427 -0.000351 -0.000203 -0.071869 -0.000351 -0.000203 -0.071869 -0.000351 -0.000203 -0.071869 -0.000351 -0.000203 -0.071869 -0.001572 -0.000910 0.037778 -0.001572 -0.000910 0.037778 -0.001572 -0.000910 0.037778 -0.001572 -0.000910 0.037778 -0.000160 -0.000092 0.023923 -0.000160 -0.000092 0.023923 -0.000160 -0.000092 0.023923 -0.000160 -0.000092 0.023923 0.002082 0.001205 0.010168 0.002082 0.001205 0.010168 0.002082 0.001205 0.010168 0.002082 0.001205 0.010168 0.001378 0.000797 -0.071571 0.001378 0.000797 -0.071571 0.001378 0.000797 -0.071571 0.001378 0.000797 -0.071571 -0.001515 -0.000877 0.067330 -0.001515 -0.000877 0.067330 -0.001515 -0.000877 0.067330 -0.001515 -0.000877 0.067330 0.000448 0.000259 -0.001252 0.000448 0.000259 -0.001252 0.000448 0.000259 -0.001252 0.000448 0.000259 -0.001252 -0.000311 -0.000180 0.005492 -0.000311 -0.000180 0.005492 -0.000311 -0.000180 0.005492 -0.000311 -0.000180 0.005492</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.1">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                           id="a1"
                           x3="3.00798"
                           xFract="0.3364193"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.46949"
                           zFract="0.05000608"/>
                     <atom elementType="Au"
                           id="a2"
                           x3="4.49445"
                           xFract="0.33641921"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="5.9921"
                           xFract="0.83641981"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a4"
                           x3="7.47857"
                           xFract="0.83641971"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.83474"
                           zFract="0.05000607"/>
                     <atom elementType="Au"
                           id="a5"
                           x3="4.34916"
                           xFract="0.48641916"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.02624"
                           zFract="0.15000606"/>
                     <atom elementType="Au"
                           id="a6"
                           x3="5.83563"
                           xFract="0.48641906"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.20886"
                           zFract="0.15000586"/>
                     <atom elementType="Au"
                           id="a7"
                           x3="7.33327"
                           xFract="0.98641798"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.20886"
                           zFract="0.15000588"/>
                     <atom elementType="Au"
                           id="a8"
                           x3="8.81974"
                           xFract="0.98641789"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.39149"
                           zFract="0.15000608"/>
                     <atom elementType="Au"
                           id="a9"
                           x3="1.22468"
                           xFract="0.13697032"
                           y3="0.70884"
                           yFract="0.13697185"
                           z3="6.1721"
                           zFract="0.2481246"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71115"
                           xFract="0.13697022"
                           y3="3.29638"
                           yFract="0.63697204"
                           z3="6.35473"
                           zFract="0.2481248"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.2088"
                           xFract="0.63697082"
                           y3="0.70884"
                           yFract="0.13697185"
                           z3="6.35473"
                           zFract="0.24812479"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69527"
                           xFract="0.63697073"
                           y3="3.29638"
                           yFract="0.63697204"
                           z3="6.53735"
                           zFract="0.24812459"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56582"
                           xFract="0.28696732"
                           y3="1.48507"
                           yFract="0.28696572"
                           z3="8.73318"
                           zFract="0.34830168"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.05229"
                           xFract="0.28696722"
                           y3="4.07261"
                           yFract="0.78696592"
                           z3="8.9158"
                           zFract="0.34830147"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.54993"
                           xFract="0.78696615"
                           y3="1.48507"
                           yFract="0.28696572"
                           z3="8.9158"
                           zFract="0.34830149"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.0364"
                           xFract="0.78696605"
                           y3="4.07261"
                           yFract="0.78696592"
                           z3="9.09843"
                           zFract="0.3483017"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                  </bondArray>
                  <formula concise="Au16">
                     <atomArray count="16" elementType="Au"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3151.464800000001</scalar>
                  </property>
                  <formula convention="iupac:inchi" inline="">
                     <scalar dataType="xsd:integer" id="auxInfo"/>
                  </formula>
               </molecule>
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                           id="a1"
                           x3="3.00798"
                           xFract="0.3364193"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.46949"
                           zFract="0.05000608"/>
                     <atom elementType="Au"
                           id="a2"
                           x3="4.49445"
                           xFract="0.33641921"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="5.9921"
                           xFract="0.83641981"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a4"
                           x3="7.47857"
                           xFract="0.83641971"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.83474"
                           zFract="0.05000607"/>
                     <atom elementType="Au"
                           id="a5"
                           x3="4.34916"
                           xFract="0.48641916"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.02624"
                           zFract="0.15000606"/>
                     <atom elementType="Au"
                           id="a6"
                           x3="5.83563"
                           xFract="0.48641906"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.20886"
                           zFract="0.15000586"/>
                     <atom elementType="Au"
                           id="a7"
                           x3="7.33327"
                           xFract="0.98641798"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.20886"
                           zFract="0.15000588"/>
                     <atom elementType="Au"
                           id="a8"
                           x3="8.81974"
                           xFract="0.98641789"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.39149"
                           zFract="0.15000608"/>
                     <atom elementType="Au"
                           id="a9"
                           x3="1.22471"
                           xFract="0.13697438"
                           y3="0.70885"
                           yFract="0.13697378"
                           z3="6.1719"
                           zFract="0.24811634"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71118"
                           xFract="0.13697429"
                           y3="3.29639"
                           yFract="0.63697397"
                           z3="6.35452"
                           zFract="0.24811613"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20883"
                           xFract="0.63697489"
                           y3="0.70885"
                           yFract="0.13697378"
                           z3="6.35452"
                           zFract="0.24811612"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.6953"
                           xFract="0.63697479"
                           y3="3.29639"
                           yFract="0.63697397"
                           z3="6.53715"
                           zFract="0.24811633"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56579"
                           xFract="0.28696326"
                           y3="1.48506"
                           yFract="0.28696379"
                           z3="8.73376"
                           zFract="0.34832547"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.05226"
                           xFract="0.28696316"
                           y3="4.0726"
                           yFract="0.78696398"
                           z3="8.91638"
                           zFract="0.34832527"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.54991"
                           xFract="0.78696376"
                           y3="1.48506"
                           yFract="0.28696379"
                           z3="8.91638"
                           zFract="0.34832526"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.03638"
                           xFract="0.78696366"
                           y3="4.0726"
                           yFract="0.78696398"
                           z3="9.09901"
                           zFract="0.34832546"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                  </bondArray>
                  <formula concise="Au16">
                     <atomArray count="16" elementType="Au"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3151.464800000001</scalar>
                  </property>
                  <formula convention="iupac:inchi" inline="">
                     <scalar dataType="xsd:integer" id="auxInfo"/>
                  </formula>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                           id="a1"
                           x3="3.00798"
                           xFract="0.3364193"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.46949"
                           zFract="0.05000608"/>
                     <atom elementType="Au"
                           id="a2"
                           x3="4.49445"
                           xFract="0.33641921"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="5.9921"
                           xFract="0.83641981"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a4"
                           x3="7.47857"
                           xFract="0.83641971"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.83474"
                           zFract="0.05000607"/>
                     <atom elementType="Au"
                           id="a5"
                           x3="4.34916"
                           xFract="0.48641916"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.02624"
                           zFract="0.15000606"/>
                     <atom elementType="Au"
                           id="a6"
                           x3="5.83563"
                           xFract="0.48641906"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.20886"
                           zFract="0.15000586"/>
                     <atom elementType="Au"
                           id="a7"
                           x3="7.33327"
                           xFract="0.98641798"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.20886"
                           zFract="0.15000588"/>
                     <atom elementType="Au"
                           id="a8"
                           x3="8.81974"
                           xFract="0.98641789"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.39149"
                           zFract="0.15000608"/>
                     <atom elementType="Au"
                           id="a9"
                           x3="1.2248"
                           xFract="0.13698465"
                           y3="0.7089"
                           yFract="0.13698344"
                           z3="6.17127"
                           zFract="0.24809029"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71127"
                           xFract="0.13698455"
                           y3="3.29644"
                           yFract="0.63698364"
                           z3="6.3539"
                           zFract="0.2480905"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20892"
                           xFract="0.63698515"
                           y3="0.7089"
                           yFract="0.13698344"
                           z3="6.3539"
                           zFract="0.24809049"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69539"
                           xFract="0.63698506"
                           y3="3.29644"
                           yFract="0.63698364"
                           z3="6.53652"
                           zFract="0.24809028"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56571"
                           xFract="0.28695467"
                           y3="1.48501"
                           yFract="0.28695413"
                           z3="8.7355"
                           zFract="0.34839685"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.05218"
                           xFract="0.28695457"
                           y3="4.07255"
                           yFract="0.78695432"
                           z3="8.91812"
                           zFract="0.34839664"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.54982"
                           xFract="0.78695349"
                           y3="1.48501"
                           yFract="0.28695413"
                           z3="8.91812"
                           zFract="0.34839666"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.03629"
                           xFract="0.7869534"
                           y3="4.07255"
                           yFract="0.78695432"
                           z3="9.10075"
                           zFract="0.34839686"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                  </bondArray>
                  <formula concise="Au16">
                     <atomArray count="16" elementType="Au"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3151.464800000001</scalar>
                  </property>
                  <formula convention="iupac:inchi" inline="">
                     <scalar dataType="xsd:integer" id="auxInfo"/>
                  </formula>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                           id="a1"
                           x3="3.00798"
                           xFract="0.3364193"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.46949"
                           zFract="0.05000608"/>
                     <atom elementType="Au"
                           id="a2"
                           x3="4.49445"
                           xFract="0.33641921"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="5.9921"
                           xFract="0.83641981"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a4"
                           x3="7.47857"
                           xFract="0.83641971"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.83474"
                           zFract="0.05000607"/>
                     <atom elementType="Au"
                           id="a5"
                           x3="4.34916"
                           xFract="0.48641916"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.02624"
                           zFract="0.15000606"/>
                     <atom elementType="Au"
                           id="a6"
                           x3="5.83563"
                           xFract="0.48641906"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.20886"
                           zFract="0.15000586"/>
                     <atom elementType="Au"
                           id="a7"
                           x3="7.33327"
                           xFract="0.98641798"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.20886"
                           zFract="0.15000588"/>
                     <atom elementType="Au"
                           id="a8"
                           x3="8.81974"
                           xFract="0.98641789"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.39149"
                           zFract="0.15000608"/>
                     <atom elementType="Au"
                           id="a9"
                           x3="1.22497"
                           xFract="0.13700351"
                           y3="0.7090"
                           yFract="0.13700277"
                           z3="6.17002"
                           zFract="0.24803864"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71144"
                           xFract="0.13700341"
                           y3="3.29654"
                           yFract="0.63700296"
                           z3="6.35265"
                           zFract="0.24803885"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20909"
                           xFract="0.63700401"
                           y3="0.7090"
                           yFract="0.13700277"
                           z3="6.35265"
                           zFract="0.24803884"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69556"
                           xFract="0.63700391"
                           y3="3.29654"
                           yFract="0.63700296"
                           z3="6.53527"
                           zFract="0.24803864"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56554"
                           xFract="0.28693581"
                           y3="1.48491"
                           yFract="0.28693481"
                           z3="8.73898"
                           zFract="0.34853962"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.05201"
                           xFract="0.28693571"
                           y3="4.07245"
                           yFract="0.786935"
                           z3="8.9216"
                           zFract="0.34853941"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.54966"
                           xFract="0.78693631"
                           y3="1.48491"
                           yFract="0.28693481"
                           z3="8.9216"
                           zFract="0.34853941"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.03613"
                           xFract="0.78693621"
                           y3="4.07245"
                           yFract="0.786935"
                           z3="9.10423"
                           zFract="0.34853961"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                  </bondArray>
                  <formula concise="Au16">
                     <atomArray count="16" elementType="Au"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3151.464800000001</scalar>
                  </property>
                  <formula convention="iupac:inchi" inline="">
                     <scalar dataType="xsd:integer" id="auxInfo"/>
                  </formula>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                           id="a1"
                           x3="3.00798"
                           xFract="0.3364193"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.46949"
                           zFract="0.05000608"/>
                     <atom elementType="Au"
                           id="a2"
                           x3="4.49445"
                           xFract="0.33641921"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="5.9921"
                           xFract="0.83641981"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a4"
                           x3="7.47857"
                           xFract="0.83641971"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.83474"
                           zFract="0.05000607"/>
                     <atom elementType="Au"
                           id="a5"
                           x3="4.34916"
                           xFract="0.48641916"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.02624"
                           zFract="0.15000606"/>
                     <atom elementType="Au"
                           id="a6"
                           x3="5.83563"
                           xFract="0.48641906"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.20886"
                           zFract="0.15000586"/>
                     <atom elementType="Au"
                           id="a7"
                           x3="7.33327"
                           xFract="0.98641798"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.20886"
                           zFract="0.15000588"/>
                     <atom elementType="Au"
                           id="a8"
                           x3="8.81974"
                           xFract="0.98641789"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.39149"
                           zFract="0.15000608"/>
                     <atom elementType="Au"
                           id="a9"
                           x3="1.22532"
                           xFract="0.1370429"
                           y3="0.7092"
                           yFract="0.13704141"
                           z3="6.16753"
                           zFract="0.24793573"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71179"
                           xFract="0.1370428"
                           y3="3.29674"
                           yFract="0.63704161"
                           z3="6.35015"
                           zFract="0.24793552"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20943"
                           xFract="0.63704173"
                           y3="0.7092"
                           yFract="0.13704141"
                           z3="6.35015"
                           zFract="0.24793554"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.6959"
                           xFract="0.63704163"
                           y3="3.29674"
                           yFract="0.63704161"
                           z3="6.53278"
                           zFract="0.24793575"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56521"
                           xFract="0.2868988"
                           y3="1.48472"
                           yFract="0.28689809"
                           z3="8.74594"
                           zFract="0.34882513"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.05168"
                           xFract="0.28689871"
                           y3="4.07226"
                           yFract="0.78689828"
                           z3="8.92856"
                           zFract="0.34882492"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.54933"
                           xFract="0.78689931"
                           y3="1.48472"
                           yFract="0.28689809"
                           z3="8.92856"
                           zFract="0.34882492"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.0358"
                           xFract="0.78689921"
                           y3="4.07226"
                           yFract="0.78689828"
                           z3="9.11119"
                           zFract="0.34882512"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                  </bondArray>
                  <formula concise="Au16">
                     <atomArray count="16" elementType="Au"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3151.464800000001</scalar>
                  </property>
                  <formula convention="iupac:inchi" inline="">
                     <scalar dataType="xsd:integer" id="auxInfo"/>
                  </formula>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                           id="a1"
                           x3="3.00798"
                           xFract="0.3364193"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.46949"
                           zFract="0.05000608"/>
                     <atom elementType="Au"
                           id="a2"
                           x3="4.49445"
                           xFract="0.33641921"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="5.9921"
                           xFract="0.83641981"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a4"
                           x3="7.47857"
                           xFract="0.83641971"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.83474"
                           zFract="0.05000607"/>
                     <atom elementType="Au"
                           id="a5"
                           x3="4.34916"
                           xFract="0.48641916"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.02624"
                           zFract="0.15000606"/>
                     <atom elementType="Au"
                           id="a6"
                           x3="5.83563"
                           xFract="0.48641906"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.20886"
                           zFract="0.15000586"/>
                     <atom elementType="Au"
                           id="a7"
                           x3="7.33327"
                           xFract="0.98641798"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.20886"
                           zFract="0.15000588"/>
                     <atom elementType="Au"
                           id="a8"
                           x3="8.81974"
                           xFract="0.98641789"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.39149"
                           zFract="0.15000608"/>
                     <atom elementType="Au"
                           id="a9"
                           x3="1.22528"
                           xFract="0.13703812"
                           y3="0.70918"
                           yFract="0.13703755"
                           z3="6.16894"
                           zFract="0.24799348"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71175"
                           xFract="0.13703803"
                           y3="3.29672"
                           yFract="0.63703774"
                           z3="6.35157"
                           zFract="0.24799368"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20939"
                           xFract="0.63703695"
                           y3="0.70918"
                           yFract="0.13703755"
                           z3="6.35157"
                           zFract="0.2479937"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69586"
                           xFract="0.63703686"
                           y3="3.29672"
                           yFract="0.63703774"
                           z3="6.53419"
                           zFract="0.24799349"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56523"
                           xFract="0.28690023"
                           y3="1.48474"
                           yFract="0.28690196"
                           z3="8.74767"
                           zFract="0.34889575"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.0517"
                           xFract="0.28690013"
                           y3="4.07228"
                           yFract="0.78690215"
                           z3="8.9303"
                           zFract="0.34889595"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.54935"
                           xFract="0.78690073"
                           y3="1.48474"
                           yFract="0.28690196"
                           z3="8.9303"
                           zFract="0.34889594"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.03582"
                           xFract="0.78690064"
                           y3="4.07228"
                           yFract="0.78690215"
                           z3="9.11292"
                           zFract="0.34889574"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                  </bondArray>
                  <formula concise="Au16">
                     <atomArray count="16" elementType="Au"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3151.464800000001</scalar>
                  </property>
                  <formula convention="iupac:inchi" inline="">
                     <scalar dataType="xsd:integer" id="auxInfo"/>
                  </formula>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                           id="a1"
                           x3="3.00798"
                           xFract="0.3364193"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.46949"
                           zFract="0.05000608"/>
                     <atom elementType="Au"
                           id="a2"
                           x3="4.49445"
                           xFract="0.33641921"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="5.9921"
                           xFract="0.83641981"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a4"
                           x3="7.47857"
                           xFract="0.83641971"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.83474"
                           zFract="0.05000607"/>
                     <atom elementType="Au"
                           id="a5"
                           x3="4.34916"
                           xFract="0.48641916"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.02624"
                           zFract="0.15000606"/>
                     <atom elementType="Au"
                           id="a6"
                           x3="5.83563"
                           xFract="0.48641906"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.20886"
                           zFract="0.15000586"/>
                     <atom elementType="Au"
                           id="a7"
                           x3="7.33327"
                           xFract="0.98641798"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.20886"
                           zFract="0.15000588"/>
                     <atom elementType="Au"
                           id="a8"
                           x3="8.81974"
                           xFract="0.98641789"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.39149"
                           zFract="0.15000608"/>
                     <atom elementType="Au"
                           id="a9"
                           x3="1.22515"
                           xFract="0.13702308"
                           y3="0.70911"
                           yFract="0.13702402"
                           z3="6.17318"
                           zFract="0.24816716"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71162"
                           xFract="0.13702298"
                           y3="3.29665"
                           yFract="0.63702421"
                           z3="6.35581"
                           zFract="0.24816737"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20927"
                           xFract="0.63702358"
                           y3="0.70911"
                           yFract="0.13702402"
                           z3="6.35581"
                           zFract="0.24816736"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69574"
                           xFract="0.63702349"
                           y3="3.29665"
                           yFract="0.63702421"
                           z3="6.53843"
                           zFract="0.24816715"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.5653"
                           xFract="0.28690811"
                           y3="1.48478"
                           yFract="0.28690969"
                           z3="8.75288"
                           zFract="0.34910841"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.05177"
                           xFract="0.28690897"
                           y3="4.07231"
                           yFract="0.78690795"
                           z3="8.9355"
                           zFract="0.34910822"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.54942"
                           xFract="0.78690861"
                           y3="1.48478"
                           yFract="0.28690969"
                           z3="8.9355"
                           zFract="0.3491082"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.03589"
                           xFract="0.78690948"
                           y3="4.07231"
                           yFract="0.78690795"
                           z3="9.11813"
                           zFract="0.34910842"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                  </bondArray>
                  <formula concise="Au16">
                     <atomArray count="16" elementType="Au"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3151.464800000001</scalar>
                  </property>
                  <formula convention="iupac:inchi" inline="">
                     <scalar dataType="xsd:integer" id="auxInfo"/>
                  </formula>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                           id="a1"
                           x3="3.00798"
                           xFract="0.3364193"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.46949"
                           zFract="0.05000608"/>
                     <atom elementType="Au"
                           id="a2"
                           x3="4.49445"
                           xFract="0.33641921"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a3"
                           x3="5.9921"
                           xFract="0.83641981"
                           y3="1.74099"
                           yFract="0.33641812"
                           z3="1.65211"
                           zFract="0.05000587"/>
                     <atom elementType="Au"
                           id="a4"
                           x3="7.47857"
                           xFract="0.83641971"
                           y3="4.32853"
                           yFract="0.83641831"
                           z3="1.83474"
                           zFract="0.05000607"/>
                     <atom elementType="Au"
                           id="a5"
                           x3="4.34916"
                           xFract="0.48641916"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.02624"
                           zFract="0.15000606"/>
                     <atom elementType="Au"
                           id="a6"
                           x3="5.83563"
                           xFract="0.48641906"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.20886"
                           zFract="0.15000586"/>
                     <atom elementType="Au"
                           id="a7"
                           x3="7.33327"
                           xFract="0.98641798"
                           y3="2.51726"
                           yFract="0.48641972"
                           z3="4.20886"
                           zFract="0.15000588"/>
                     <atom elementType="Au"
                           id="a8"
                           x3="8.81974"
                           xFract="0.98641789"
                           y3="5.1048"
                           yFract="0.98641991"
                           z3="4.39149"
                           zFract="0.15000608"/>
                     <atom elementType="Au"
                           id="a9"
                           x3="1.22491"
                           xFract="0.13699634"
                           y3="0.70897"
                           yFract="0.13699697"
                           z3="6.18167"
                           zFract="0.2485149"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71138"
                           xFract="0.13699625"
                           y3="3.29651"
                           yFract="0.63699716"
                           z3="6.36429"
                           zFract="0.24851469"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20903"
                           xFract="0.63699685"
                           y3="0.70897"
                           yFract="0.13699697"
                           z3="6.36429"
                           zFract="0.24851469"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.6955"
                           xFract="0.63699675"
                           y3="3.29651"
                           yFract="0.63699716"
                           z3="6.54692"
                           zFract="0.24851489"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56544"
                           xFract="0.28692483"
                           y3="1.48485"
                           yFract="0.28692321"
                           z3="8.76329"
                           zFract="0.34953335"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.05191"
                           xFract="0.28692473"
                           y3="4.07239"
                           yFract="0.7869234"
                           z3="8.94591"
                           zFract="0.34953314"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.54955"
                           xFract="0.78692365"
                           y3="1.48485"
                           yFract="0.28692321"
                           z3="8.94591"
                           zFract="0.34953316"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.03602"
                           xFract="0.78692356"
                           y3="4.07239"
                           yFract="0.7869234"
                           z3="9.12854"
                           zFract="0.34953336"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a5" order="S"/>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a3" order="S"/>
                     <bond atomRefs2="a2 a5" order="S"/>
                     <bond atomRefs2="a2 a6" order="S"/>
                     <bond atomRefs2="a2 a4" order="S"/>
                     <bond atomRefs2="a2 a3" order="S"/>
                     <bond atomRefs2="a3 a7" order="S"/>
                     <bond atomRefs2="a3 a4" order="S"/>
                     <bond atomRefs2="a3 a5" order="S"/>
                     <bond atomRefs2="a4 a6" order="S"/>
                     <bond atomRefs2="a4 a8" order="S"/>
                     <bond atomRefs2="a4 a7" order="S"/>
                     <bond atomRefs2="a5 a10" order="S"/>
                     <bond atomRefs2="a5 a11" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a12" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a7" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a7 a12" order="S"/>
                     <bond atomRefs2="a7 a8" order="S"/>
                     <bond atomRefs2="a9 a11" order="S"/>
                     <bond atomRefs2="a9 a13" order="S"/>
                     <bond atomRefs2="a9 a10" order="S"/>
                     <bond atomRefs2="a10 a14" order="S"/>
                     <bond atomRefs2="a10 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                  </bondArray>
                  <formula concise="Au16">
                     <atomArray count="16" elementType="Au"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3151.464800000001</scalar>
                  </property>
                  <formula convention="iupac:inchi" inline="">
                     <scalar dataType="xsd:integer" id="auxInfo"/>
                  </formula>
               </molecule>
            </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="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="16">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:coeffp" size="16">-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:coeffd" size="16">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="16">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>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">0.000</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-30.51602552</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-30.53647787</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-30.52284297</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-5.6276</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2060393E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.979400023518747</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.97939897583227</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.471748</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="Au"
                        id="a1"
                        x3="3.00798"
                        xFract="0.3364193"
                        y3="1.74099"
                        yFract="0.33641812"
                        z3="1.46949"
                        zFract="0.05000608"/>
                  <atom elementType="Au"
                        id="a2"
                        x3="4.49445"
                        xFract="0.33641921"
                        y3="4.32853"
                        yFract="0.83641831"
                        z3="1.65211"
                        zFract="0.05000587"/>
                  <atom elementType="Au"
                        id="a3"
                        x3="5.9921"
                        xFract="0.83641981"
                        y3="1.74099"
                        yFract="0.33641812"
                        z3="1.65211"
                        zFract="0.05000587"/>
                  <atom elementType="Au"
                        id="a4"
                        x3="7.47857"
                        xFract="0.83641971"
                        y3="4.32853"
                        yFract="0.83641831"
                        z3="1.83474"
                        zFract="0.05000607"/>
                  <atom elementType="Au"
                        id="a5"
                        x3="4.34916"
                        xFract="0.48641916"
                        y3="2.51726"
                        yFract="0.48641972"
                        z3="4.02624"
                        zFract="0.15000606"/>
                  <atom elementType="Au"
                        id="a6"
                        x3="5.83563"
                        xFract="0.48641906"
                        y3="5.1048"
                        yFract="0.98641991"
                        z3="4.20886"
                        zFract="0.15000586"/>
                  <atom elementType="Au"
                        id="a7"
                        x3="7.33327"
                        xFract="0.98641798"
                        y3="2.51726"
                        yFract="0.48641972"
                        z3="4.20886"
                        zFract="0.15000588"/>
                  <atom elementType="Au"
                        id="a8"
                        x3="8.81974"
                        xFract="0.98641789"
                        y3="5.1048"
                        yFract="0.98641991"
                        z3="4.39149"
                        zFract="0.15000608"/>
                  <atom elementType="Au"
                        id="a9"
                        x3="1.22491"
                        xFract="0.13699634"
                        y3="0.70897"
                        yFract="0.13699697"
                        z3="6.18167"
                        zFract="0.2485149"/>
                  <atom elementType="Au"
                        id="a10"
                        x3="2.71138"
                        xFract="0.13699625"
                        y3="3.29651"
                        yFract="0.63699716"
                        z3="6.36429"
                        zFract="0.24851469"/>
                  <atom elementType="Au"
                        id="a11"
                        x3="4.20903"
                        xFract="0.63699685"
                        y3="0.70897"
                        yFract="0.13699697"
                        z3="6.36429"
                        zFract="0.24851469"/>
                  <atom elementType="Au"
                        id="a12"
                        x3="5.6955"
                        xFract="0.63699675"
                        y3="3.29651"
                        yFract="0.63699716"
                        z3="6.54692"
                        zFract="0.24851489"/>
                  <atom elementType="Au"
                        id="a13"
                        x3="2.56544"
                        xFract="0.28692483"
                        y3="1.48485"
                        yFract="0.28692321"
                        z3="8.76329"
                        zFract="0.34953335"/>
                  <atom elementType="Au"
                        id="a14"
                        x3="4.05191"
                        xFract="0.28692473"
                        y3="4.07239"
                        yFract="0.7869234"
                        z3="8.94591"
                        zFract="0.34953314"/>
                  <atom elementType="Au"
                        id="a15"
                        x3="5.54955"
                        xFract="0.78692365"
                        y3="1.48485"
                        yFract="0.28692321"
                        z3="8.94591"
                        zFract="0.34953316"/>
                  <atom elementType="Au"
                        id="a16"
                        x3="7.03602"
                        xFract="0.78692356"
                        y3="4.07239"
                        yFract="0.7869234"
                        z3="9.12854"
                        zFract="0.34953336"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a5" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a3" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a8" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a12" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
               </bondArray>
               <formula concise="Au16">
                  <atomArray count="16" elementType="Au"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3151.464800000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="">
                  <scalar dataType="xsd:integer" id="auxInfo"/>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
