<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">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">2025-04-08T15:24:45.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <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="3.00798082"
                        xFract="0.336419"
                        y3="1.74099457"
                        yFract="0.336419"
                        z3="1.46948831"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a2"
                        x3="4.49445082"
                        xFract="0.336419"
                        y3="4.32853357"
                        yFract="0.836419"
                        z3="1.65211331"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a3"
                        x3="5.99209782"
                        xFract="0.836419"
                        y3="1.74099457"
                        yFract="0.336419"
                        z3="1.65211331"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a4"
                        x3="7.47856782"
                        xFract="0.836419"
                        y3="4.32853357"
                        yFract="0.836419"
                        z3="1.83473831"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a5"
                        x3="4.34915692"
                        xFract="0.486419"
                        y3="2.51725627"
                        yFract="0.486419"
                        z3="4.02623811"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a6"
                        x3="5.83562692"
                        xFract="0.486419"
                        y3="5.10479527"
                        yFract="0.986419"
                        z3="4.20886311"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a7"
                        x3="7.33327392"
                        xFract="0.986419"
                        y3="2.51725627"
                        yFract="0.486419"
                        z3="4.20886311"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a8"
                        x3="8.81974392"
                        xFract="0.986419"
                        y3="5.10479527"
                        yFract="0.986419"
                        z3="4.39148811"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a9"
                        x3="1.2209811"
                        xFract="0.1352474"
                        y3="0.72030074"
                        yFract="0.13918645"
                        z3="6.21250337"
                        zFract="0.24976828"/>
                  <atom elementType="Au"
                        id="a10"
                        x3="2.71435185"
                        xFract="0.13960395"
                        y3="3.27459157"
                        yFract="0.63276178"
                        z3="6.33205544"
                        zFract="0.24722177"/>
                  <atom elementType="Au"
                        id="a11"
                        x3="4.20489442"
                        xFract="0.63519427"
                        y3="0.72049816"
                        yFract="0.1392246"
                        z3="6.39531867"
                        zFract="0.24977628"/>
                  <atom elementType="Au"
                        id="a12"
                        x3="5.69848823"
                        xFract="0.63959867"
                        y3="3.27468016"
                        yFract="0.6327789"
                        z3="6.51460963"
                        zFract="0.2472187"/>
                  <atom elementType="Au"
                        id="a13"
                        x3="2.56736761"
                        xFract="0.3010888"
                        y3="1.34105496"
                        yFract="0.25913715"
                        z3="8.82156745"
                        zFract="0.35211808"/>
                  <atom elementType="Au"
                        id="a14"
                        x3="4.06785353"
                        xFract="0.28016072"
                        y3="4.17041511"
                        yFract="0.80586517"
                        z3="8.82247366"
                        zFract="0.34430735"/>
                  <atom elementType="Au"
                        id="a15"
                        x3="5.55141726"
                        xFract="0.80104833"
                        y3="1.34135817"
                        yFract="0.25919574"
                        z3="9.00305868"
                        zFract="0.35207148"/>
                  <atom elementType="Au"
                        id="a16"
                        x3="7.05211595"
                        xFract="0.78017314"
                        y3="4.17053921"
                        yFract="0.80588915"
                        z3="9.00482368"
                        zFract="0.34429557"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.98922019"
                        xFract="0.43555963"
                        y3="2.41908602"
                        yFract="0.46744919"
                        z3="10.06755635"
                        zFract="0.39791732"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.97285765"
                        xFract="0.93551448"
                        y3="2.41872035"
                        yFract="0.46737853"
                        z3="10.24976512"
                        zFract="0.39790204"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="Au16O2">
                  <atomArray count="16 2" elementType="Au O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3183.4636000000014</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <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="3.00798082"
                        xFract="0.336419"
                        y3="1.74099457"
                        yFract="0.336419"
                        z3="1.46948831"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a2"
                        x3="4.49445082"
                        xFract="0.336419"
                        y3="4.32853357"
                        yFract="0.836419"
                        z3="1.65211331"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a3"
                        x3="5.99209782"
                        xFract="0.836419"
                        y3="1.74099457"
                        yFract="0.336419"
                        z3="1.65211331"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a4"
                        x3="7.47856782"
                        xFract="0.836419"
                        y3="4.32853357"
                        yFract="0.836419"
                        z3="1.83473831"
                        zFract="0.050006"/>
                  <atom elementType="Au"
                        id="a5"
                        x3="4.34915692"
                        xFract="0.486419"
                        y3="2.51725627"
                        yFract="0.486419"
                        z3="4.02623811"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a6"
                        x3="5.83562692"
                        xFract="0.486419"
                        y3="5.10479527"
                        yFract="0.986419"
                        z3="4.20886311"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a7"
                        x3="7.33327392"
                        xFract="0.986419"
                        y3="2.51725627"
                        yFract="0.486419"
                        z3="4.20886311"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a8"
                        x3="8.81974392"
                        xFract="0.986419"
                        y3="5.10479527"
                        yFract="0.986419"
                        z3="4.39148811"
                        zFract="0.150006"/>
                  <atom elementType="Au"
                        id="a9"
                        x3="1.22098109"
                        xFract="0.1352474"
                        y3="0.72030071"
                        yFract="0.13918644"
                        z3="6.21250344"
                        zFract="0.24976828"/>
                  <atom elementType="Au"
                        id="a10"
                        x3="2.71435182"
                        xFract="0.13960395"
                        y3="3.27459155"
                        yFract="0.63276178"
                        z3="6.33205531"
                        zFract="0.24722177"/>
                  <atom elementType="Au"
                        id="a11"
                        x3="4.20489444"
                        xFract="0.63519427"
                        y3="0.72049817"
                        yFract="0.1392246"
                        z3="6.39531863"
                        zFract="0.24977628"/>
                  <atom elementType="Au"
                        id="a12"
                        x3="5.69848823"
                        xFract="0.63959867"
                        y3="3.27468018"
                        yFract="0.6327789"
                        z3="6.51460973"
                        zFract="0.2472187"/>
                  <atom elementType="Au"
                        id="a13"
                        x3="2.56736765"
                        xFract="0.30108881"
                        y3="1.34105497"
                        yFract="0.25913715"
                        z3="8.82156743"
                        zFract="0.35211808"/>
                  <atom elementType="Au"
                        id="a14"
                        x3="4.06785355"
                        xFract="0.28016072"
                        y3="4.1704151"
                        yFract="0.80586517"
                        z3="8.82247371"
                        zFract="0.34430735"/>
                  <atom elementType="Au"
                        id="a15"
                        x3="5.55141726"
                        xFract="0.80104833"
                        y3="1.34135817"
                        yFract="0.25919574"
                        z3="9.00305876"
                        zFract="0.35207148"/>
                  <atom elementType="Au"
                        id="a16"
                        x3="7.05211597"
                        xFract="0.78017314"
                        y3="4.17053923"
                        yFract="0.80588915"
                        z3="9.00482375"
                        zFract="0.34429557"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.98922015"
                        xFract="0.43555963"
                        y3="2.419086"
                        yFract="0.46744919"
                        z3="10.06755628"
                        zFract="0.39791732"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.97285762"
                        xFract="0.93551448"
                        y3="2.41872032"
                        yFract="0.46737852"
                        z3="10.24976514"
                        zFract="0.39790204"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="Au16O2">
                  <atomArray count="16 2" elementType="Au O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3183.4636000000014</scalar>
               </property>
            </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">188.7520</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="2">PAW_PBE Au 06Sep2000|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Au O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">196.966 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">16 2</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="25">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="3100">-25.1960 -24.9107 -15.4559 -14.3555 -13.6928 -13.5259 -13.4825 -13.4104 -13.3837 -13.3259 -13.2784 -13.2354 -13.1020 -13.0801 -13.0558 -12.9916 -12.9809 -12.9429 -12.6659 -12.6601 -12.6521 -12.4085 -12.4032 -12.3259 -12.0829 -11.9488 -11.9335 -11.8565 -11.6846 -11.6178 -11.5487 -11.5119 -11.4987 -11.4592 -11.4076 -11.4071 -11.3830 -11.3682 -11.3339 -11.3149 -11.2722 -11.1780 -11.0598 -11.0136 -11.0056 -10.8230 -10.7653 -10.7545 -10.6195 -10.5717 -10.4155 -10.3547 -10.3279 -10.3243 -10.2986 -10.2712 -10.2568 -10.2213 -10.1983 -10.0249 -9.9629 -9.8521 -9.8109 -9.7260 -9.6883 -9.5311 -9.4750 -9.4553 -9.4289 -9.4252 -9.3613 -9.3312 -9.3292 -9.2454 -9.2261 -9.2123 -9.2049 -9.1787 -9.1451 -9.1268 -9.1019 -9.0787 -8.9697 -8.9363 -8.9032 -8.8942 -8.8807 -8.7735 -8.3380 -8.0047 -7.8340 -7.7349 -6.9167 -6.8290 -6.8009 -6.4218 -6.2827 -6.1967 -6.1625 -5.8154 -5.7576 -5.7469 -5.3181 -4.6596 -4.4213 -4.0885 -3.8903 -3.8634 -3.7957 -3.5036 -3.4745 -2.9349 -2.8517 -2.4145 -2.1493 -2.0117 -1.6212 -1.6050 -1.0748 -0.9685 -0.9290 -0.2404 0.0461 0.5781 -25.1812 -24.9241 -15.3177 -14.2283 -13.5855 -13.5029 -13.3585 -13.3579 -13.2939 -13.2680 -13.1986 -13.1657 -13.0901 -12.9791 -12.9707 -12.9254 -12.9086 -12.8837 -12.6311 -12.5631 -12.5583 -12.3829 -12.3766 -12.2676 -12.1382 -11.9488 -11.9252 -11.8211 -11.6686 -11.6658 -11.6172 -11.4942 -11.4924 -11.4744 -11.4323 -11.4128 -11.3347 -11.3197 -11.2966 -11.2458 -11.2300 -11.1874 -11.0558 -11.0166 -10.9498 -10.8766 -10.8382 -10.8302 -10.6995 -10.6871 -10.5577 -10.5409 -10.4572 -10.4373 -10.3359 -10.3023 -10.2430 -10.2230 -10.1788 -10.0008 -9.9995 -9.9310 -9.8922 -9.7917 -9.7562 -9.6254 -9.6151 -9.5522 -9.5001 -9.4864 -9.4336 -9.4273 -9.3933 -9.3831 -9.3376 -9.3355 -9.3251 -9.2642 -9.2440 -9.2193 -9.1901 -9.1831 -9.0869 -9.0562 -9.0098 -8.9691 -8.8315 -8.7912 -8.4037 -8.0943 -8.0236 -7.7832 -7.6880 -7.2614 -7.0804 -7.0706 -6.3553 -6.3531 -5.9504 -5.6563 -5.1290 -5.1127 -4.5879 -4.2508 -4.1287 -3.9379 -3.7893 -3.7647 -3.5796 -3.4302 -3.1457 -2.6228 -2.4740 -2.1775 -1.9942 -1.9120 -1.7440 -1.4607 -0.7119 -0.6242 -0.3896 -0.1168 -0.0290 0.1507 -25.1932 -24.9099 -15.3201 -14.2395 -13.6176 -13.4404 -13.3701 -13.3533 -13.3525 -13.2431 -13.2395 -13.1379 -13.0432 -13.0301 -13.0042 -12.9183 -12.8909 -12.8874 -12.6276 -12.5704 -12.5673 -12.3938 -12.3728 -12.2746 -12.0237 -11.9559 -11.9478 -11.8681 -11.6725 -11.6340 -11.5758 -11.5597 -11.5032 -11.4617 -11.4278 -11.3975 -11.3393 -11.3360 -11.3076 -11.2431 -11.2264 -11.1081 -11.0606 -11.0192 -10.9326 -10.9201 -10.8229 -10.7647 -10.7432 -10.7372 -10.5910 -10.5534 -10.5080 -10.4190 -10.3457 -10.2968 -10.2267 -10.2088 -10.1920 -10.0135 -10.0052 -9.8994 -9.8784 -9.7836 -9.7465 -9.6436 -9.5884 -9.5879 -9.5133 -9.4950 -9.4637 -9.4284 -9.3944 -9.3759 -9.3686 -9.3239 -9.2958 -9.2304 -9.2290 -9.2178 -9.1888 -9.1507 -9.0717 -9.0303 -9.0047 -8.9794 -8.9150 -8.7917 -8.5905 -8.0678 -7.8658 -7.6797 -7.6688 -7.1490 -7.0896 -7.0656 -6.4878 -6.2357 -6.0221 -5.3548 -5.1132 -5.0828 -4.7986 -4.5377 -4.0194 -3.9606 -3.7711 -3.7228 -3.6689 -3.2413 -3.1452 -2.7413 -2.5995 -2.2676 -2.0336 -1.8676 -1.7738 -1.4285 -0.6135 -0.5191 -0.3343 -0.2237 -0.1090 0.2497 -25.1400 -24.9622 -14.9232 -13.8839 -13.5278 -13.2967 -13.2858 -13.0693 -13.0600 -13.0269 -13.0204 -13.0008 -12.9508 -12.7879 -12.7633 -12.7307 -12.6763 -12.6523 -12.5540 -12.3580 -12.3309 -12.3097 -12.2898 -12.1537 -12.1142 -11.9627 -11.9096 -11.8179 -11.8003 -11.7622 -11.6158 -11.6141 -11.5090 -11.4890 -11.4209 -11.3854 -11.2793 -11.2682 -11.2337 -11.1935 -11.1349 -11.1212 -11.0856 -11.0771 -11.0354 -11.0083 -10.9733 -10.9684 -10.9088 -10.8230 -10.7714 -10.6588 -10.6416 -10.5792 -10.5391 -10.4544 -10.4407 -10.3953 -10.2444 -10.1557 -10.1250 -10.1235 -10.0778 -10.0385 -10.0337 -9.9564 -9.8609 -9.8403 -9.7870 -9.7713 -9.7484 -9.6990 -9.6780 -9.6550 -9.6082 -9.5081 -9.5007 -9.4465 -9.3977 -9.3701 -9.3287 -9.3113 -9.2652 -9.2181 -9.1842 -9.1149 -9.1086 -8.8487 -8.6631 -8.4405 -8.3623 -7.9428 -7.7661 -7.3439 -7.3103 -7.0330 -6.6396 -6.2752 -6.2491 -5.2924 -5.0091 -4.5109 -4.3483 -3.8445 -3.7943 -3.4548 -3.2497 -2.9767 -2.8459 -2.8162 -2.3722 -2.0916 -1.9475 -1.6431 -1.5604 -1.3925 -1.3177 -1.1605 -0.8219 -0.3148 -0.2993 -0.1956 0.0471 0.1198 -25.1869 -24.9082 -14.9351 -13.9543 -13.5130 -13.2992 -13.2404 -13.2054 -13.1400 -13.0252 -13.0059 -12.9295 -12.9220 -12.8433 -12.7692 -12.7360 -12.6941 -12.6240 -12.5434 -12.4421 -12.3331 -12.2916 -12.2171 -12.1246 -11.9531 -11.9459 -11.9232 -11.8704 -11.7967 -11.7656 -11.6918 -11.6468 -11.5612 -11.5034 -11.3460 -11.3394 -11.3303 -11.2403 -11.2127 -11.1664 -11.1510 -11.1085 -11.0854 -11.0663 -11.0529 -11.0039 -10.9771 -10.9642 -10.7989 -10.7942 -10.7889 -10.7586 -10.6935 -10.6723 -10.5710 -10.4579 -10.3632 -10.3441 -10.2462 -10.2052 -10.1622 -10.1489 -10.0530 -10.0281 -10.0042 -9.9591 -9.8748 -9.8643 -9.7951 -9.7775 -9.7253 -9.6982 -9.6581 -9.6457 -9.5919 -9.5427 -9.4929 -9.4904 -9.4131 -9.3852 -9.3379 -9.2962 -9.2387 -9.2002 -9.1836 -9.1653 -9.0793 -8.9082 -8.8672 -8.3820 -7.9721 -7.9074 -7.5492 -7.3321 -7.2719 -7.0015 -6.5688 -6.2866 -6.1866 -5.0652 -4.9208 -4.7967 -4.2600 -3.8999 -3.8254 -3.4551 -3.2093 -3.1999 -3.1067 -2.8436 -2.3934 -2.2917 -2.0228 -1.6415 -1.5463 -1.4087 -1.0856 -1.0667 -0.8598 -0.4334 -0.2232 -0.2227 -0.0084 0.1231 -25.0815 -25.0181 -14.3516 -13.7997 -13.4804 -13.2857 -13.0031 -12.9644 -12.8355 -12.8076 -12.7499 -12.7274 -12.6323 -12.5712 -12.5654 -12.5336 -12.4222 -12.3676 -12.3518 -12.3143 -12.2534 -12.1948 -12.1269 -12.0053 -11.9972 -11.9259 -11.8774 -11.8706 -11.8145 -11.7945 -11.7244 -11.7229 -11.6953 -11.5592 -11.5257 -11.4877 -11.3852 -11.3820 -11.3462 -11.2850 -11.2618 -11.2126 -11.1587 -11.1534 -11.0460 -11.0433 -10.9840 -10.9421 -10.9363 -10.8599 -10.8256 -10.7480 -10.7449 -10.7060 -10.6851 -10.6595 -10.5547 -10.5234 -10.4960 -10.4955 -10.4017 -10.3490 -10.2986 -10.2411 -10.1787 -10.1677 -10.1275 -10.1087 -10.0768 -10.0710 -9.9928 -9.9907 -9.9170 -9.8695 -9.8360 -9.8004 -9.7545 -9.6652 -9.5527 -9.5045 -9.4596 -9.4358 -9.3210 -9.3088 -9.1532 -9.1485 -8.9818 -8.9174 -8.4929 -8.4401 -8.3903 -8.1991 -7.5924 -7.3906 -7.3227 -7.1282 -6.5926 -6.4149 -6.0559 -5.5379 -4.8095 -4.6625 -4.1261 -3.3578 -3.0827 -2.9507 -2.9367 -2.5706 -2.3443 -2.2377 -2.2097 -1.7489 -1.6159 -1.5688 -1.4349 -1.1540 -0.8544 -0.6547 -0.5799 -0.5366 -0.4743 -0.3139 0.1133 0.2008 -25.1819 -24.9069 -14.3950 -13.8810 -13.5134 -13.1909 -13.1857 -12.9899 -12.9128 -12.7671 -12.7549 -12.7401 -12.6205 -12.5650 -12.5064 -12.4873 -12.4414 -12.3958 -12.3386 -12.2777 -12.2456 -12.2158 -12.0477 -12.0319 -11.9618 -11.8994 -11.8904 -11.8869 -11.7858 -11.7777 -11.7516 -11.7181 -11.7147 -11.5729 -11.5684 -11.5674 -11.4468 -11.3999 -11.3094 -11.2691 -11.2628 -11.2037 -11.1399 -11.1099 -10.9933 -10.9700 -10.9644 -10.9326 -10.9033 -10.8969 -10.7942 -10.7835 -10.7226 -10.7092 -10.6606 -10.6141 -10.5679 -10.5303 -10.5283 -10.5164 -10.4610 -10.3572 -10.2841 -10.2717 -10.2593 -10.2517 -10.2165 -10.0813 -10.0638 -10.0619 -9.9963 -9.9494 -9.9115 -9.8913 -9.8226 -9.7716 -9.6936 -9.6193 -9.6017 -9.5840 -9.4963 -9.4203 -9.3293 -9.2285 -9.1864 -9.1707 -9.0807 -8.8375 -8.7224 -8.3158 -8.0666 -7.8964 -7.4705 -7.3745 -7.3000 -7.0560 -6.5591 -6.3120 -5.9921 -5.1075 -5.0590 -4.9318 -3.9985 -3.3873 -3.2604 -3.0941 -2.9086 -2.5002 -2.4849 -2.3730 -2.1585 -1.7642 -1.6737 -1.5525 -1.4321 -1.1016 -1.0007 -0.7954 -0.6519 -0.6147 -0.4345 -0.2217 -0.0803 0.2043 -25.1812 -24.9241 -15.3177 -14.2283 -13.5857 -13.5031 -13.3590 -13.3580 -13.2939 -13.2670 -13.1986 -13.1660 -13.0906 -12.9787 -12.9708 -12.9259 -12.9086 -12.8831 -12.6313 -12.5632 -12.5581 -12.3819 -12.3768 -12.2674 -12.1388 -11.9499 -11.9260 -11.8211 -11.6674 -11.6666 -11.6172 -11.4942 -11.4931 -11.4746 -11.4316 -11.4124 -11.3336 -11.3178 -11.2971 -11.2468 -11.2301 -11.1877 -11.0561 -11.0189 -10.9497 -10.8745 -10.8374 -10.8314 -10.6985 -10.6868 -10.5567 -10.5420 -10.4574 -10.4336 -10.3349 -10.3000 -10.2456 -10.2261 -10.1778 -10.0038 -9.9992 -9.9296 -9.8921 -9.7912 -9.7560 -9.6259 -9.6150 -9.5531 -9.4994 -9.4861 -9.4323 -9.4275 -9.3946 -9.3825 -9.3373 -9.3341 -9.3245 -9.2638 -9.2435 -9.2193 -9.1918 -9.1849 -9.0873 -9.0567 -9.0100 -8.9722 -8.8318 -8.7884 -8.4030 -8.0951 -8.0212 -7.7801 -7.6915 -7.2614 -7.0813 -7.0707 -6.3555 -6.3535 -5.9507 -5.6590 -5.1313 -5.1125 -4.5884 -4.2504 -4.1240 -3.9372 -3.7926 -3.7623 -3.5770 -3.4287 -3.1510 -2.6257 -2.4722 -2.1804 -1.9862 -1.9120 -1.7479 -1.4626 -0.7102 -0.6170 -0.3900 -0.1165 -0.0708 0.1814 -25.1421 -24.9623 -15.0483 -13.9808 -13.4901 -13.3632 -13.2567 -13.2257 -13.1242 -13.0806 -13.0679 -13.0314 -13.0151 -12.8799 -12.8170 -12.7827 -12.7689 -12.7236 -12.5330 -12.4879 -12.3673 -12.3207 -12.2963 -12.2314 -12.1640 -11.9631 -11.9051 -11.8260 -11.7626 -11.7450 -11.6322 -11.5870 -11.4627 -11.4188 -11.4087 -11.3779 -11.3399 -11.2708 -11.2347 -11.2341 -11.1601 -11.1381 -11.1088 -11.0786 -11.0068 -10.9692 -10.9424 -10.9130 -10.7660 -10.7116 -10.6800 -10.6729 -10.5982 -10.5595 -10.5423 -10.3758 -10.3287 -10.3022 -10.2547 -10.1753 -10.1629 -10.0354 -10.0350 -9.9402 -9.8670 -9.8582 -9.8224 -9.7484 -9.7240 -9.6846 -9.6405 -9.6266 -9.6173 -9.5391 -9.5214 -9.4479 -9.4244 -9.3940 -9.3679 -9.3429 -9.2900 -9.2551 -9.2100 -9.2015 -9.1434 -9.0185 -8.9129 -8.6717 -8.5439 -8.4353 -8.3452 -8.2783 -7.8213 -7.6085 -7.3640 -7.2775 -6.1266 -5.9744 -5.6957 -5.5347 -5.5222 -4.9496 -4.2829 -4.1885 -3.5624 -3.4998 -3.4670 -3.1713 -3.0707 -2.7764 -2.5633 -2.3195 -2.1015 -1.7410 -1.7028 -1.3311 -1.2809 -1.0886 -0.8428 -0.8392 -0.5692 -0.3661 -0.0495 0.0718 -25.1765 -24.9231 -15.0556 -14.0164 -13.4630 -13.4178 -13.2531 -13.2487 -13.1370 -13.1174 -13.0910 -13.0114 -12.9670 -12.9175 -12.8321 -12.7895 -12.7665 -12.6936 -12.5281 -12.5065 -12.3878 -12.3207 -12.2958 -12.1654 -12.0656 -11.9504 -11.8959 -11.8599 -11.7421 -11.7418 -11.6500 -11.5734 -11.5700 -11.4628 -11.3976 -11.3810 -11.2995 -11.2499 -11.2242 -11.1777 -11.1316 -11.1189 -11.1119 -11.0648 -11.0461 -10.9588 -10.9437 -10.8923 -10.8363 -10.7792 -10.7738 -10.6743 -10.6206 -10.5681 -10.5389 -10.3979 -10.3308 -10.2876 -10.1944 -10.1239 -10.1109 -10.0773 -10.0758 -9.9043 -9.8979 -9.8414 -9.8263 -9.7779 -9.7388 -9.7164 -9.6422 -9.5999 -9.5893 -9.5269 -9.5176 -9.4902 -9.4092 -9.4017 -9.3455 -9.3339 -9.2941 -9.2410 -9.2073 -9.1876 -9.1413 -8.9712 -8.9410 -8.8094 -8.6551 -8.3637 -8.3416 -8.0411 -7.6662 -7.5847 -7.4888 -7.0109 -6.1515 -5.8943 -5.8282 -5.6232 -5.0416 -5.0182 -4.5368 -4.0276 -3.7768 -3.5508 -3.4068 -3.2407 -3.1551 -2.7931 -2.7847 -2.1838 -2.0944 -1.9448 -1.5889 -1.5095 -1.1617 -1.1145 -0.9870 -0.5913 -0.5230 -0.3294 -0.1027 -0.0545 -25.0840 -25.0170 -14.5556 -13.5831 -13.5612 -13.2391 -13.0343 -13.0319 -12.9102 -12.8882 -12.8460 -12.7479 -12.7218 -12.7133 -12.5817 -12.5793 -12.5334 -12.4572 -12.4429 -12.3323 -12.2719 -12.1819 -12.1553 -12.1274 -12.0171 -11.9488 -11.9466 -11.9265 -11.7940 -11.7400 -11.7397 -11.6680 -11.5804 -11.5586 -11.4438 -11.4153 -11.3789 -11.3323 -11.3032 -11.2996 -11.2313 -11.2105 -11.1902 -11.1749 -11.0792 -11.0013 -10.9997 -10.9495 -10.9387 -10.8648 -10.8328 -10.7652 -10.6858 -10.5872 -10.5737 -10.5656 -10.5158 -10.4701 -10.4211 -10.4198 -10.3496 -10.2964 -10.2807 -10.2070 -10.1957 -10.1422 -10.1328 -10.0630 -9.9598 -9.9564 -9.9188 -9.9023 -9.8248 -9.7136 -9.6940 -9.6159 -9.5747 -9.5184 -9.4643 -9.4357 -9.4270 -9.3408 -9.3085 -9.2398 -9.2203 -9.1787 -9.0672 -8.9268 -8.7656 -8.4728 -8.3988 -8.2953 -8.0735 -7.6820 -7.5199 -6.7364 -6.6746 -6.0065 -5.9252 -5.0047 -4.8878 -4.6275 -4.4169 -3.8318 -3.3385 -3.2684 -3.1434 -2.7795 -2.5922 -1.9470 -1.9064 -1.7618 -1.7275 -1.4589 -1.3505 -1.1528 -1.1354 -0.9209 -0.6187 -0.5289 -0.4493 -0.1047 -0.0379 0.1220 -25.1706 -24.9217 -14.5800 -13.7572 -13.4283 -13.3129 -13.1567 -13.0084 -12.9781 -12.8947 -12.7872 -12.7774 -12.7198 -12.6895 -12.5780 -12.5651 -12.4923 -12.4221 -12.4025 -12.3294 -12.2637 -12.2541 -12.1022 -11.9885 -11.9817 -11.9599 -11.9375 -11.8768 -11.8285 -11.8159 -11.7401 -11.6895 -11.6495 -11.5576 -11.5159 -11.4302 -11.4011 -11.3565 -11.3396 -11.2370 -11.2318 -11.1992 -11.1565 -11.1455 -11.0588 -11.0170 -10.9852 -10.9832 -10.9373 -10.8470 -10.8154 -10.7893 -10.7104 -10.6280 -10.5805 -10.5730 -10.5209 -10.4830 -10.4541 -10.4000 -10.3509 -10.2934 -10.2620 -10.2044 -10.1925 -10.1798 -10.0777 -10.0469 -9.9855 -9.9549 -9.9284 -9.8984 -9.7709 -9.7373 -9.6827 -9.6407 -9.5949 -9.5186 -9.4903 -9.4168 -9.3867 -9.3320 -9.3213 -9.2532 -9.2222 -9.1702 -9.1347 -8.9499 -8.7269 -8.5594 -8.2896 -8.0468 -7.9818 -7.5288 -7.4662 -6.8573 -6.1925 -6.0927 -6.0061 -5.0137 -4.7190 -4.5545 -4.2666 -4.2420 -3.5623 -3.2666 -3.1670 -2.7656 -2.4272 -2.1843 -1.9183 -1.8191 -1.7780 -1.6357 -1.3350 -1.1351 -1.1063 -1.0373 -0.7403 -0.4243 -0.4180 -0.1398 -0.0474 0.1074 -25.0784 -25.0194 -13.9790 -13.9687 -13.3328 -13.2815 -12.9710 -12.8859 -12.8000 -12.7505 -12.7002 -12.5941 -12.5405 -12.4776 -12.4525 -12.4243 -12.4212 -12.3085 -12.2944 -12.2648 -12.1746 -12.1071 -12.0937 -12.0849 -12.0181 -11.9837 -11.8761 -11.8703 -11.8527 -11.8244 -11.7850 -11.7744 -11.7312 -11.6719 -11.5476 -11.5211 -11.4967 -11.4312 -11.3761 -11.3741 -11.3240 -11.2529 -11.1836 -11.1686 -11.1076 -11.1041 -11.0561 -11.0432 -10.9799 -10.9078 -10.8946 -10.8775 -10.8278 -10.7068 -10.6977 -10.6446 -10.6005 -10.5450 -10.5130 -10.4477 -10.4335 -10.3776 -10.3078 -10.2842 -10.2529 -10.2122 -10.1593 -10.1343 -10.0441 -9.9856 -9.9660 -9.8945 -9.8908 -9.8781 -9.7701 -9.7534 -9.7187 -9.6966 -9.6344 -9.5206 -9.4828 -9.4247 -9.3609 -9.3568 -9.2264 -9.2052 -8.9805 -8.9661 -8.8269 -8.4224 -8.3128 -8.2538 -8.2054 -7.5770 -7.3545 -7.2216 -6.2091 -6.1496 -5.8583 -5.4270 -4.9422 -4.0375 -3.8333 -3.6028 -3.4053 -3.2743 -2.6279 -2.5562 -2.5182 -2.0896 -2.0415 -1.9885 -1.7185 -1.2556 -1.1697 -1.0752 -0.9939 -0.7928 -0.5310 -0.4415 -0.3983 -0.2777 -0.1693 -0.0996 -25.1679 -24.9212 -14.1138 -13.9134 -13.4142 -13.2733 -13.0719 -12.8693 -12.8478 -12.7054 -12.6661 -12.6464 -12.4898 -12.4692 -12.4526 -12.4071 -12.3717 -12.3536 -12.2082 -12.1861 -12.1793 -12.1414 -12.1351 -12.0675 -12.0037 -11.9684 -11.8868 -11.8848 -11.8716 -11.8108 -11.7916 -11.7575 -11.7540 -11.7048 -11.6077 -11.5715 -11.5015 -11.4505 -11.4257 -11.3381 -11.2983 -11.2660 -11.1622 -11.1565 -11.1238 -11.0553 -11.0417 -11.0336 -10.9322 -10.9084 -10.8733 -10.8702 -10.7795 -10.7043 -10.6422 -10.6206 -10.6161 -10.6078 -10.4835 -10.4540 -10.4465 -10.4327 -10.3736 -10.3425 -10.2877 -10.2491 -10.1418 -10.1134 -10.0394 -9.9969 -9.9785 -9.9219 -9.8483 -9.8392 -9.7799 -9.7612 -9.6911 -9.6723 -9.6088 -9.5907 -9.4587 -9.4559 -9.3516 -9.3158 -9.2397 -9.2283 -9.1769 -8.9411 -8.6169 -8.5268 -8.2719 -8.0388 -8.0243 -7.4722 -7.4381 -7.0339 -6.2248 -6.0760 -5.7542 -5.1861 -5.0697 -4.4117 -3.8354 -3.5932 -3.2856 -3.2474 -2.7324 -2.7211 -2.2834 -2.0747 -2.0695 -1.9280 -1.8557 -1.4429 -1.1380 -1.0792 -0.9429 -0.8559 -0.7378 -0.5071 -0.4243 -0.3165 -0.3163 -0.0939 -25.1352 -24.9619 -14.5670 -13.6435 -13.5509 -13.1971 -13.1872 -12.9755 -12.9431 -12.9216 -12.8151 -12.7441 -12.7438 -12.6751 -12.6026 -12.5391 -12.5371 -12.4159 -12.3486 -12.3243 -12.2847 -12.2836 -12.1364 -12.0298 -11.9919 -11.9317 -11.9232 -11.8628 -11.8481 -11.7650 -11.7129 -11.6769 -11.6500 -11.6048 -11.4878 -11.4864 -11.3753 -11.3393 -11.3146 -11.2551 -11.2150 -11.1979 -11.1641 -11.1600 -11.0565 -11.0340 -11.0180 -10.9646 -10.9567 -10.9111 -10.8285 -10.7762 -10.7288 -10.6624 -10.5711 -10.5391 -10.5275 -10.4662 -10.4323 -10.4177 -10.3467 -10.2615 -10.2447 -10.2143 -10.1586 -10.1234 -10.0926 -10.0671 -9.9700 -9.9603 -9.9129 -9.8815 -9.7525 -9.7296 -9.7280 -9.6278 -9.6125 -9.4991 -9.4698 -9.4695 -9.3768 -9.3523 -9.2999 -9.2379 -9.2151 -9.1717 -9.0434 -8.8654 -8.8388 -8.5943 -8.3363 -8.2328 -7.9555 -7.6505 -7.4665 -6.8426 -6.5379 -6.0526 -5.7170 -5.2688 -4.7510 -4.4768 -4.4698 -3.8220 -3.4732 -3.3120 -3.1479 -2.7483 -2.6609 -2.0167 -1.9194 -1.7606 -1.6683 -1.5301 -1.3971 -1.2938 -1.1143 -0.7648 -0.7644 -0.5622 -0.4483 -0.1470 0.0339 0.0606 -25.1705 -24.9217 -14.5800 -13.7574 -13.4281 -13.3130 -13.1565 -13.0094 -12.9777 -12.8928 -12.7868 -12.7786 -12.7194 -12.6883 -12.5778 -12.5652 -12.4929 -12.4219 -12.4020 -12.3291 -12.2633 -12.2559 -12.1023 -11.9859 -11.9817 -11.9591 -11.9370 -11.8778 -11.8264 -11.8154 -11.7409 -11.6900 -11.6487 -11.5571 -11.5165 -11.4324 -11.4018 -11.3573 -11.3411 -11.2386 -11.2337 -11.2007 -11.1525 -11.1459 -11.0623 -11.0171 -10.9837 -10.9833 -10.9393 -10.8491 -10.8172 -10.7910 -10.7101 -10.6311 -10.5798 -10.5723 -10.5201 -10.4831 -10.4531 -10.4002 -10.3510 -10.2921 -10.2599 -10.2035 -10.1928 -10.1788 -10.0771 -10.0445 -9.9852 -9.9555 -9.9277 -9.8985 -9.7702 -9.7371 -9.6806 -9.6411 -9.5949 -9.5196 -9.4900 -9.4171 -9.3862 -9.3334 -9.3212 -9.2530 -9.2223 -9.1701 -9.1351 -8.9493 -8.7257 -8.5600 -8.2896 -8.0475 -7.9834 -7.5267 -7.4660 -6.8584 -6.1918 -6.0918 -6.0048 -5.0126 -4.7195 -4.5547 -4.2640 -4.2416 -3.5652 -3.2671 -3.1634 -2.7733 -2.4288 -2.1829 -1.9163 -1.7925 -1.7831 -1.6460 -1.3344 -1.1447 -1.0987 -1.0505 -0.7446 -0.4522 -0.4117 -0.1432 -0.0205 0.1100 -25.1764 -24.9231 -15.0556 -14.0165 -13.4628 -13.4175 -13.2527 -13.2488 -13.1369 -13.1175 -13.0914 -13.0113 -12.9663 -12.9172 -12.8321 -12.7895 -12.7671 -12.6938 -12.5278 -12.5062 -12.3872 -12.3231 -12.2958 -12.1658 -12.0641 -11.9483 -11.8930 -11.8604 -11.7439 -11.7424 -11.6495 -11.5722 -11.5679 -11.4635 -11.3983 -11.3847 -11.3011 -11.2508 -11.2224 -11.1782 -11.1316 -11.1186 -11.1109 -11.0647 -11.0467 -10.9600 -10.9420 -10.8937 -10.8396 -10.7795 -10.7733 -10.6782 -10.6224 -10.5685 -10.5382 -10.3961 -10.3327 -10.2883 -10.1943 -10.1218 -10.1098 -10.0770 -10.0745 -9.9051 -9.8974 -9.8413 -9.8258 -9.7778 -9.7393 -9.7159 -9.6420 -9.5999 -9.5892 -9.5261 -9.5173 -9.4920 -9.4083 -9.4022 -9.3454 -9.3330 -9.2948 -9.2408 -9.2060 -9.1863 -9.1410 -8.9694 -8.9417 -8.8092 -8.6567 -8.3642 -8.3418 -8.0423 -7.6678 -7.5830 -7.4885 -7.0097 -6.1517 -5.8918 -5.8286 -5.6200 -5.0408 -5.0158 -4.5366 -4.0305 -3.7764 -3.5500 -3.4097 -3.2439 -3.1572 -2.7941 -2.7823 -2.1716 -2.0913 -1.9416 -1.6098 -1.5126 -1.1591 -1.1137 -0.9891 -0.5792 -0.5160 -0.3284 -0.1382 -0.0289 -25.1400 -24.9622 -14.9232 -13.8838 -13.5282 -13.2976 -13.2857 -13.0684 -13.0604 -13.0275 -13.0204 -13.0009 -12.9519 -12.7885 -12.7633 -12.7295 -12.6764 -12.6520 -12.5542 -12.3564 -12.3310 -12.3092 -12.2898 -12.1558 -12.1138 -11.9650 -11.9108 -11.8172 -11.8004 -11.7622 -11.6141 -11.6116 -11.5086 -11.4905 -11.4207 -11.3836 -11.2776 -11.2661 -11.2357 -11.1957 -11.1342 -11.1213 -11.0865 -11.0784 -11.0354 -11.0078 -10.9743 -10.9655 -10.9097 -10.8221 -10.7710 -10.6571 -10.6408 -10.5761 -10.5374 -10.4544 -10.4408 -10.3933 -10.2446 -10.1565 -10.1254 -10.1232 -10.0796 -10.0389 -10.0340 -9.9572 -9.8620 -9.8401 -9.7864 -9.7720 -9.7482 -9.6992 -9.6790 -9.6542 -9.6078 -9.5078 -9.5004 -9.4472 -9.3973 -9.3700 -9.3292 -9.3113 -9.2650 -9.2177 -9.1858 -9.1149 -9.1100 -8.8488 -8.6629 -8.4394 -8.3613 -7.9438 -7.7661 -7.3447 -7.3107 -7.0348 -6.6415 -6.2750 -6.2509 -5.2941 -5.0110 -4.5094 -4.3473 -3.8453 -3.7950 -3.4613 -3.2402 -2.9764 -2.8455 -2.8162 -2.3806 -2.0927 -1.9552 -1.6420 -1.5484 -1.3928 -1.3281 -1.1489 -0.7820 -0.3125 -0.3063 -0.2451 0.0081 0.0917 -25.0841 -25.0170 -14.5557 -13.5829 -13.5615 -13.2386 -13.0355 -13.0311 -12.9112 -12.8880 -12.8477 -12.7482 -12.7223 -12.7135 -12.5812 -12.5780 -12.5335 -12.4574 -12.4431 -12.3333 -12.2723 -12.1819 -12.1536 -12.1275 -12.0169 -11.9497 -11.9459 -11.9250 -11.7944 -11.7407 -11.7403 -11.6677 -11.5794 -11.5559 -11.4426 -11.4149 -11.3793 -11.3330 -11.3046 -11.2979 -11.2325 -11.2102 -11.1896 -11.1746 -11.0804 -11.0008 -10.9993 -10.9502 -10.9401 -10.8645 -10.8332 -10.7640 -10.6855 -10.5870 -10.5731 -10.5651 -10.5138 -10.4707 -10.4208 -10.4201 -10.3496 -10.2955 -10.2801 -10.2062 -10.1962 -10.1422 -10.1326 -10.0634 -9.9601 -9.9572 -9.9190 -9.9019 -9.8262 -9.7127 -9.6943 -9.6155 -9.5756 -9.5180 -9.4652 -9.4359 -9.4267 -9.3404 -9.3081 -9.2398 -9.2209 -9.1790 -9.0681 -8.9270 -8.7656 -8.4715 -8.3991 -8.2952 -8.0750 -7.6828 -7.5187 -6.7398 -6.6760 -6.0065 -5.9229 -5.0046 -4.8898 -4.6276 -4.4179 -3.8307 -3.3366 -3.2710 -3.1461 -2.7728 -2.5936 -1.9486 -1.8930 -1.8123 -1.7386 -1.4071 -1.3514 -1.1618 -1.0947 -0.9230 -0.6389 -0.4935 -0.4669 -0.2796 -0.0240 0.0876 -25.1352 -24.9620 -14.5671 -13.6432 -13.5510 -13.1962 -13.1875 -12.9766 -12.9449 -12.9225 -12.8149 -12.7453 -12.7439 -12.6755 -12.6016 -12.5388 -12.5374 -12.4168 -12.3498 -12.3257 -12.2841 -12.2807 -12.1369 -12.0309 -11.9910 -11.9319 -11.9232 -11.8646 -11.8477 -11.7643 -11.7138 -11.6782 -11.6497 -11.6023 -11.4884 -11.4823 -11.3747 -11.3382 -11.3138 -11.2542 -11.2126 -11.1976 -11.1647 -11.1613 -11.0575 -11.0325 -11.0185 -10.9633 -10.9563 -10.9079 -10.8277 -10.7743 -10.7285 -10.6595 -10.5698 -10.5391 -10.5273 -10.4657 -10.4327 -10.4176 -10.3469 -10.2625 -10.2456 -10.2150 -10.1598 -10.1246 -10.0935 -10.0691 -9.9699 -9.9612 -9.9140 -9.8813 -9.7532 -9.7295 -9.7281 -9.6294 -9.6121 -9.4990 -9.4703 -9.4687 -9.3759 -9.3529 -9.2992 -9.2379 -9.2153 -9.1724 -9.0447 -8.8654 -8.8385 -8.5955 -8.3358 -8.2319 -7.9559 -7.6495 -7.4684 -6.8453 -6.5394 -6.0533 -5.7159 -5.2710 -4.7524 -4.4774 -4.4722 -3.8207 -3.4699 -3.3134 -3.1552 -2.7311 -2.6630 -2.0185 -1.9286 -1.7695 -1.7216 -1.5310 -1.3514 -1.2741 -1.0600 -0.7539 -0.7494 -0.5551 -0.5272 -0.2643 -0.0214 0.2095 -25.0770 -25.0200 -14.0260 -13.6335 -13.3784 -13.2625 -13.0388 -12.8043 -12.7984 -12.6573 -12.6497 -12.5489 -12.4859 -12.4490 -12.4373 -12.4041 -12.3495 -12.3222 -12.3061 -12.2332 -12.2219 -12.1761 -12.1208 -12.0283 -12.0004 -11.9816 -11.9768 -11.9596 -11.8493 -11.8237 -11.8127 -11.7518 -11.7150 -11.6410 -11.5985 -11.5443 -11.5286 -11.4947 -11.4588 -11.4078 -11.3296 -11.2931 -11.2446 -11.2249 -11.1880 -11.1443 -11.1432 -11.1364 -11.0215 -10.9299 -10.9145 -10.9026 -10.7992 -10.6729 -10.6550 -10.6547 -10.5829 -10.5232 -10.5106 -10.4438 -10.4117 -10.3955 -10.3078 -10.3033 -10.2341 -10.1705 -10.1154 -10.1125 -10.0037 -9.9918 -9.8958 -9.8271 -9.8091 -9.7775 -9.7376 -9.6620 -9.6262 -9.5318 -9.5145 -9.4635 -9.4617 -9.3944 -9.3726 -9.3410 -9.3379 -9.2697 -9.1914 -9.1393 -9.0044 -8.9746 -8.3327 -8.2888 -8.1819 -7.9287 -7.3981 -7.0443 -6.5397 -6.0606 -5.2146 -4.7950 -4.7144 -4.4937 -3.9566 -3.8320 -3.4604 -2.8623 -2.7583 -2.6324 -2.5253 -2.1963 -2.1173 -1.8942 -1.6293 -1.4523 -1.3284 -1.2963 -1.1690 -0.9265 -0.5735 -0.5086 -0.2964 -0.0874 0.0924 0.3286 -25.1314 -24.9618 -14.0634 -13.5623 -13.5376 -13.2081 -13.0705 -12.9000 -12.7291 -12.6840 -12.6141 -12.5263 -12.5208 -12.4469 -12.3982 -12.3638 -12.3484 -12.3163 -12.2854 -12.2261 -12.1816 -12.1489 -12.0581 -12.0457 -12.0111 -12.0051 -11.9438 -11.9256 -11.8840 -11.8398 -11.8047 -11.7670 -11.7607 -11.7404 -11.6399 -11.5955 -11.5260 -11.4637 -11.4527 -11.3691 -11.3506 -11.3153 -11.2754 -11.2268 -11.1721 -11.1702 -11.1275 -11.0907 -11.0006 -10.9272 -10.8948 -10.8838 -10.8374 -10.6993 -10.6644 -10.6291 -10.6216 -10.5191 -10.5077 -10.4591 -10.4256 -10.3889 -10.2970 -10.2518 -10.2475 -10.1405 -10.1284 -10.1112 -10.0265 -9.9766 -9.9026 -9.8201 -9.8122 -9.7429 -9.7363 -9.6730 -9.6182 -9.5655 -9.5044 -9.4591 -9.4349 -9.4073 -9.3816 -9.3305 -9.3157 -9.2650 -9.2178 -9.2009 -9.0749 -8.7931 -8.4868 -8.2595 -7.9512 -7.8931 -7.4044 -6.9315 -6.7472 -5.6575 -5.3317 -4.7956 -4.7397 -4.7127 -3.9283 -3.5770 -3.5468 -2.9596 -2.7604 -2.7133 -2.5580 -2.0990 -1.9731 -1.8380 -1.8334 -1.4957 -1.3602 -1.2941 -1.1428 -1.0442 -0.6108 -0.5689 -0.2973 -0.0405 0.0468 0.0545 -25.1314 -24.9617 -14.0634 -13.5626 -13.5377 -13.2079 -13.0710 -12.8996 -12.7278 -12.6829 -12.6143 -12.5249 -12.5202 -12.4472 -12.3991 -12.3639 -12.3480 -12.3164 -12.2857 -12.2241 -12.1809 -12.1492 -12.0595 -12.0458 -12.0115 -12.0051 -11.9436 -11.9251 -11.8840 -11.8406 -11.8049 -11.7661 -11.7608 -11.7412 -11.6414 -11.5958 -11.5260 -11.4642 -11.4535 -11.3700 -11.3508 -11.3166 -11.2747 -11.2278 -11.1718 -11.1698 -11.1301 -11.0912 -10.9987 -10.9271 -10.8956 -10.8825 -10.8404 -10.7001 -10.6645 -10.6298 -10.6231 -10.5185 -10.5074 -10.4600 -10.4240 -10.3876 -10.2979 -10.2513 -10.2465 -10.1391 -10.1282 -10.1113 -10.0270 -9.9762 -9.9021 -9.8188 -9.8109 -9.7432 -9.7355 -9.6730 -9.6190 -9.5654 -9.5047 -9.4599 -9.4349 -9.4064 -9.3812 -9.3303 -9.3152 -9.2652 -9.2178 -9.2009 -9.0757 -8.7934 -8.4854 -8.2599 -7.9528 -7.8930 -7.4017 -6.9304 -6.7494 -5.6553 -5.3305 -4.7941 -4.7414 -4.7151 -3.9287 -3.5760 -3.5391 -2.9633 -2.7579 -2.7177 -2.5535 -2.1205 -1.9689 -1.8371 -1.8370 -1.4922 -1.3661 -1.2692 -1.0768 -1.0720 -0.7160 -0.4489 -0.3590 -0.1783 0.0754 0.1436 -25.0816 -25.0181 -14.3517 -13.7999 -13.4797 -13.2846 -13.0048 -12.9660 -12.8359 -12.8076 -12.7520 -12.7305 -12.6327 -12.5706 -12.5649 -12.5327 -12.4228 -12.3690 -12.3522 -12.3148 -12.2534 -12.1929 -12.1263 -12.0038 -11.9973 -11.9244 -11.8779 -11.8693 -11.8156 -11.7941 -11.7235 -11.7234 -11.6944 -11.5572 -11.5245 -11.4874 -11.3847 -11.3795 -11.3464 -11.2844 -11.2611 -11.2115 -11.1588 -11.1548 -11.0455 -11.0420 -10.9849 -10.9423 -10.9352 -10.8615 -10.8263 -10.7463 -10.7435 -10.7053 -10.6847 -10.6581 -10.5544 -10.5227 -10.4960 -10.4949 -10.4016 -10.3482 -10.2979 -10.2415 -10.1792 -10.1670 -10.1281 -10.1088 -10.0762 -10.0709 -9.9929 -9.9919 -9.9168 -9.8711 -9.8347 -9.8035 -9.7552 -9.6680 -9.5524 -9.5047 -9.4580 -9.4352 -9.3208 -9.3091 -9.1529 -9.1479 -8.9838 -8.9187 -8.4922 -8.4389 -8.3903 -8.2004 -7.5938 -7.3909 -7.3235 -7.1312 -6.5935 -6.4148 -6.0574 -5.5410 -4.8080 -4.6595 -4.1279 -3.3615 -3.0869 -2.9532 -2.9414 -2.5561 -2.3432 -2.2320 -2.2221 -1.7276 -1.6402 -1.5429 -1.4910 -1.0736 -0.9604 -0.6715 -0.5728 -0.5396 -0.4545 -0.1564 0.0768 0.2039 -25.0784 -25.0195 -13.9791 -13.9688 -13.3319 -13.2805 -12.9711 -12.8877 -12.8021 -12.7534 -12.7010 -12.5971 -12.5399 -12.4771 -12.4531 -12.4251 -12.4207 -12.3085 -12.2934 -12.2643 -12.1748 -12.1077 -12.0932 -12.0828 -12.0177 -11.9830 -11.8766 -11.8695 -11.8522 -11.8232 -11.7838 -11.7748 -11.7309 -11.6715 -11.5464 -11.5207 -11.4963 -11.4297 -11.3753 -11.3740 -11.3225 -11.2521 -11.1833 -11.1694 -11.1089 -11.1030 -11.0550 -11.0429 -10.9791 -10.9075 -10.8957 -10.8775 -10.8285 -10.7066 -10.6969 -10.6443 -10.5985 -10.5441 -10.5120 -10.4471 -10.4340 -10.3788 -10.3088 -10.2852 -10.2518 -10.2115 -10.1591 -10.1342 -10.0449 -9.9849 -9.9665 -9.8959 -9.8905 -9.8784 -9.7702 -9.7544 -9.7197 -9.6964 -9.6378 -9.5204 -9.4820 -9.4234 -9.3614 -9.3564 -9.2267 -9.2053 -8.9809 -8.9671 -8.8268 -8.4233 -8.3112 -8.2547 -8.2060 -7.5756 -7.3567 -7.2248 -6.2099 -6.1486 -5.8602 -5.4282 -4.9412 -4.0375 -3.8322 -3.6030 -3.4056 -3.2827 -2.6241 -2.5682 -2.5293 -2.0783 -2.0059 -1.9720 -1.7160 -1.2756 -1.2671 -1.1294 -0.9634 -0.7255 -0.4696 -0.4248 -0.4218 -0.3050 -0.0872 -0.0860</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="3100">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00006 1.00076 -0.02775 -0.00977 -0.00620 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00023 1.00212 0.68593 0.04764 0.03064 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00002 1.00252 1.00313 0.23260 0.06579 0.02297 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00035 0.93652 0.85330 -0.01408 -0.00018 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00001 1.02010 0.91062 0.72572 -0.03116 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.01153 1.00624 0.88735 0.16451 -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 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 1.00000 1.00000 1.00001 1.03515 0.98784 0.82244 0.00964 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00025 1.00198 0.68574 0.04926 0.03090 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00008 1.00904 0.97272 0.74638 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00329 1.01285 1.03305 -0.02767 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00000 1.00240 1.02682 -0.00180 -0.00043 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00000 1.00000 1.02479 1.03536 -0.01465 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00000 1.01429 0.95687 0.52268 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00000 1.00000 1.03502 1.03308 -0.01339 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00000 1.00442 1.03535 -0.01195 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00000 1.00000 1.02527 1.03537 -0.01486 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00319 1.01316 1.03309 -0.02819 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00035 0.93809 0.85452 -0.01264 -0.00019 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00000 1.00237 1.02709 -0.00193 -0.00045 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00000 1.00000 1.00451 1.03526 -0.01242 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00000 1.00000 1.00000 1.01300 -0.00375 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00000 1.00000 1.00001 1.01787 -0.03088 -0.00225 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00000 1.00001 1.01585 -0.03066 -0.00235 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.01129 1.00651 0.88948 0.17383 -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 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 1.00000 1.00000 1.00000 1.00000 1.01454 0.96068 0.53640 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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="25">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="3100">-24.7115 -24.4106 -15.4529 -14.3434 -13.6417 -13.4827 -13.4409 -13.3904 -13.3744 -13.3227 -13.2684 -13.2184 -13.0674 -13.0398 -13.0145 -12.9725 -12.9665 -12.9338 -12.6651 -12.6568 -12.6477 -12.3687 -12.3055 -12.2914 -11.9104 -11.8794 -11.8400 -11.7684 -11.6694 -11.5960 -11.5334 -11.5097 -11.4926 -11.4485 -11.4049 -11.4022 -11.3805 -11.3668 -11.3310 -11.2972 -11.2641 -11.1627 -11.0119 -11.0051 -10.9820 -10.7993 -10.7270 -10.7194 -10.6012 -10.5509 -10.3878 -10.3227 -10.3141 -10.2961 -10.2666 -10.2417 -10.2165 -10.2042 -10.1347 -10.0105 -9.9541 -9.8008 -9.7787 -9.7020 -9.6596 -9.5165 -9.4423 -9.4246 -9.4175 -9.3780 -9.3480 -9.3157 -9.3118 -9.2445 -9.2243 -9.2106 -9.1866 -9.1356 -9.1237 -9.1220 -9.0634 -9.0442 -8.9031 -8.8945 -8.8901 -8.7932 -8.7371 -8.5903 -8.2360 -7.9950 -7.7077 -7.0855 -6.8987 -6.8194 -6.7933 -6.4171 -6.2757 -6.1926 -6.1572 -5.8144 -5.7563 -5.7458 -5.3071 -4.5748 -4.4002 -4.0809 -3.8816 -3.8606 -3.7768 -3.4899 -3.4493 -2.9149 -2.8268 -2.3946 -2.1093 -1.9962 -1.5964 -1.5685 -1.0566 -0.9312 -0.8672 -0.2288 0.0624 0.5831 -24.6957 -24.4247 -15.3145 -14.2153 -13.5348 -13.4244 -13.3580 -13.3330 -13.2840 -13.2593 -13.1866 -13.1483 -13.0430 -12.9588 -12.9383 -12.9052 -12.8884 -12.8706 -12.6261 -12.5590 -12.5554 -12.3398 -12.2811 -12.2364 -11.9556 -11.9013 -11.8404 -11.7478 -11.6485 -11.6406 -11.6015 -11.4902 -11.4787 -11.4674 -11.4257 -11.4006 -11.3310 -11.2945 -11.2925 -11.2383 -11.2192 -11.1660 -11.0543 -10.9619 -10.9454 -10.8562 -10.8127 -10.8051 -10.6906 -10.6643 -10.5024 -10.5005 -10.4230 -10.4028 -10.2949 -10.2876 -10.2318 -10.1679 -10.1264 -9.9859 -9.9489 -9.9158 -9.8648 -9.7518 -9.7329 -9.5998 -9.5948 -9.5278 -9.4842 -9.4765 -9.4184 -9.4175 -9.3847 -9.3664 -9.3318 -9.3275 -9.3149 -9.2363 -9.2268 -9.2083 -9.1604 -9.1560 -9.0653 -9.0427 -9.0078 -8.8829 -8.6123 -8.6111 -8.3148 -8.0323 -7.9462 -7.6873 -7.2100 -7.1650 -7.0569 -7.0553 -6.3348 -6.3259 -5.9406 -5.6136 -5.1182 -5.1089 -4.5446 -4.2255 -4.1160 -3.9241 -3.7823 -3.7585 -3.5590 -3.4148 -3.1204 -2.6088 -2.4474 -2.1488 -1.9668 -1.8464 -1.7210 -1.4402 -0.6994 -0.6139 -0.3828 -0.1036 -0.0139 0.1677 -24.7083 -24.4097 -15.3169 -14.2256 -13.5663 -13.3652 -13.3536 -13.3496 -13.3243 -13.2363 -13.2320 -13.1227 -13.0137 -12.9892 -12.9666 -12.9081 -12.8773 -12.8621 -12.6240 -12.5658 -12.5585 -12.3325 -12.3063 -12.2439 -11.9154 -11.9115 -11.7798 -11.7748 -11.6545 -11.6192 -11.5606 -11.5349 -11.5006 -11.4524 -11.4238 -11.3903 -11.3323 -11.3184 -11.3039 -11.2351 -11.2177 -11.0815 -11.0581 -10.9681 -10.9313 -10.8989 -10.7911 -10.7463 -10.7269 -10.6980 -10.5639 -10.5227 -10.4668 -10.3849 -10.3176 -10.2350 -10.2191 -10.1729 -10.1373 -10.0001 -9.9658 -9.8716 -9.8450 -9.7673 -9.7196 -9.6271 -9.5700 -9.5358 -9.5026 -9.4787 -9.4562 -9.4189 -9.3821 -9.3628 -9.3505 -9.3215 -9.2886 -9.2152 -9.2104 -9.2045 -9.1702 -9.1280 -9.0680 -9.0270 -9.0042 -8.8688 -8.7152 -8.6812 -8.4080 -8.0499 -7.7408 -7.6519 -7.1341 -7.0797 -7.0296 -7.0258 -6.4656 -6.2115 -6.0009 -5.3468 -5.1095 -5.0596 -4.7862 -4.4570 -4.0136 -3.9478 -3.7630 -3.7132 -3.6599 -3.2259 -3.1218 -2.7213 -2.5727 -2.2367 -1.9778 -1.8609 -1.7520 -1.4114 -0.5807 -0.5145 -0.3069 -0.2183 -0.0965 0.2611 -24.6521 -24.4646 -14.9192 -13.8668 -13.4774 -13.2503 -13.2368 -13.0490 -13.0436 -13.0163 -12.9979 -12.9873 -12.9307 -12.7577 -12.7489 -12.7174 -12.6446 -12.6226 -12.5389 -12.3277 -12.3121 -12.2438 -12.2069 -12.0939 -12.0451 -11.9340 -11.8426 -11.7984 -11.7707 -11.7388 -11.6096 -11.5574 -11.4899 -11.4369 -11.3925 -11.3754 -11.2595 -11.2567 -11.2140 -11.1637 -11.1190 -11.1120 -11.0786 -11.0702 -11.0259 -10.9993 -10.9557 -10.9438 -10.8824 -10.7673 -10.7615 -10.6159 -10.6023 -10.5315 -10.5075 -10.4130 -10.4061 -10.3730 -10.2252 -10.1297 -10.1069 -10.1062 -10.0510 -10.0248 -10.0212 -9.9366 -9.8423 -9.8167 -9.7742 -9.7545 -9.7342 -9.6932 -9.6685 -9.6437 -9.6027 -9.4973 -9.4881 -9.4242 -9.3907 -9.3516 -9.2989 -9.2829 -9.2564 -9.2002 -9.1378 -9.0958 -9.0956 -8.6557 -8.4482 -8.3286 -8.2565 -7.7981 -7.3696 -7.2890 -7.2750 -6.9736 -6.5366 -6.2447 -6.1945 -5.2754 -4.9652 -4.4779 -4.2901 -3.8379 -3.7882 -3.4439 -3.2381 -2.9469 -2.8286 -2.7991 -2.3420 -2.0589 -1.9161 -1.6331 -1.5517 -1.3735 -1.3069 -1.1394 -0.8101 -0.3063 -0.2961 -0.1891 0.0537 0.1315 -24.7010 -24.4078 -14.9308 -13.9307 -13.4903 -13.2713 -13.1808 -13.1274 -13.1162 -13.0241 -13.0036 -12.9171 -12.9092 -12.8052 -12.7296 -12.7175 -12.6791 -12.6014 -12.5377 -12.3832 -12.3235 -12.2456 -12.1851 -12.1061 -11.9182 -11.9023 -11.8608 -11.7892 -11.7473 -11.6368 -11.6286 -11.6044 -11.5511 -11.4981 -11.3300 -11.3229 -11.3196 -11.2336 -11.2085 -11.1366 -11.1362 -11.1003 -11.0750 -11.0534 -11.0465 -10.9989 -10.9427 -10.9328 -10.7718 -10.7608 -10.7453 -10.7394 -10.6472 -10.6370 -10.5361 -10.4237 -10.3387 -10.3240 -10.1961 -10.1634 -10.1495 -10.1343 -10.0460 -10.0162 -9.9991 -9.9461 -9.8369 -9.8346 -9.7869 -9.7659 -9.7140 -9.6885 -9.6538 -9.6295 -9.5871 -9.5145 -9.4810 -9.4732 -9.3791 -9.3784 -9.3154 -9.2918 -9.2303 -9.1789 -9.1593 -9.1576 -9.0688 -8.8387 -8.6491 -8.2108 -7.8866 -7.7799 -7.3189 -7.2508 -6.9603 -6.9122 -6.5315 -6.2359 -6.1273 -5.0213 -4.8891 -4.7316 -4.2189 -3.8968 -3.8198 -3.4440 -3.1887 -3.1819 -3.0857 -2.8143 -2.3791 -2.2824 -2.0057 -1.6366 -1.5421 -1.3725 -1.0709 -1.0511 -0.8484 -0.4322 -0.2210 -0.2139 -0.0025 0.1334 -24.5903 -24.5235 -14.3445 -13.7802 -13.4502 -13.2313 -12.9607 -12.9231 -12.8047 -12.7921 -12.7433 -12.7189 -12.6157 -12.5158 -12.5157 -12.5084 -12.3958 -12.3081 -12.3025 -12.2828 -12.2249 -12.1704 -12.0755 -11.9844 -11.9246 -11.9091 -11.8645 -11.8418 -11.7875 -11.7769 -11.7022 -11.6837 -11.6633 -11.5443 -11.5041 -11.4062 -11.3678 -11.3547 -11.2994 -11.2697 -11.2233 -11.1728 -11.1434 -11.1363 -11.0236 -11.0195 -10.9577 -10.9359 -10.9301 -10.8303 -10.8083 -10.7390 -10.7275 -10.6956 -10.6729 -10.6425 -10.5440 -10.5154 -10.4900 -10.4809 -10.3928 -10.3318 -10.2823 -10.2224 -10.1615 -10.1535 -10.1055 -10.0848 -10.0577 -10.0499 -9.9784 -9.9777 -9.9101 -9.8546 -9.8071 -9.7711 -9.7437 -9.6482 -9.5256 -9.4779 -9.3986 -9.3812 -9.3047 -9.2961 -9.1309 -9.1300 -8.9132 -8.7952 -8.3459 -8.3156 -8.2148 -8.0232 -7.3664 -7.3461 -7.2121 -6.9474 -6.5509 -6.3795 -6.0014 -5.4762 -4.7726 -4.6079 -4.1015 -3.3378 -3.0472 -2.9221 -2.9171 -2.5581 -2.3242 -2.2194 -2.1932 -1.7366 -1.6048 -1.5592 -1.4184 -1.1478 -0.8479 -0.6420 -0.5678 -0.5227 -0.4554 -0.3028 0.1273 0.2170 -24.6953 -24.4063 -14.3851 -13.8614 -13.4976 -13.1686 -13.0973 -12.9711 -12.8376 -12.7625 -12.7489 -12.7375 -12.6127 -12.4953 -12.4898 -12.4827 -12.4224 -12.3032 -12.2981 -12.2596 -12.1966 -12.1621 -12.0349 -12.0020 -11.9154 -11.8768 -11.8757 -11.8750 -11.7739 -11.7617 -11.7284 -11.7034 -11.5652 -11.5547 -11.5198 -11.4282 -11.4274 -11.3916 -11.3019 -11.2527 -11.1963 -11.1882 -11.1342 -11.1054 -10.9735 -10.9611 -10.9300 -10.9171 -10.8841 -10.8688 -10.7738 -10.7703 -10.7141 -10.7058 -10.6418 -10.5914 -10.5485 -10.5208 -10.5179 -10.5134 -10.4233 -10.3410 -10.2605 -10.2520 -10.2348 -10.2326 -10.1988 -10.0578 -10.0544 -10.0512 -9.9861 -9.9374 -9.9084 -9.8665 -9.7952 -9.7635 -9.6772 -9.5852 -9.5744 -9.5705 -9.4348 -9.4095 -9.3221 -9.2205 -9.1815 -9.1664 -9.0672 -8.6694 -8.6185 -8.1666 -7.9964 -7.7620 -7.3610 -7.2655 -6.9766 -6.8342 -6.5164 -6.2462 -5.9355 -5.0383 -5.0003 -4.8677 -3.9730 -3.3427 -3.2397 -3.0775 -2.8993 -2.4900 -2.4816 -2.3569 -2.1379 -1.7586 -1.6649 -1.5456 -1.4146 -1.0991 -0.9949 -0.7939 -0.6367 -0.5918 -0.4240 -0.2122 -0.0725 0.2201 -24.6958 -24.4247 -15.3145 -14.2153 -13.5350 -13.4251 -13.3580 -13.3331 -13.2841 -13.2583 -13.1866 -13.1485 -13.0435 -12.9590 -12.9379 -12.9060 -12.8883 -12.8694 -12.6263 -12.5591 -12.5551 -12.3393 -12.2812 -12.2361 -11.9547 -11.9025 -11.8421 -11.7483 -11.6493 -11.6384 -11.6016 -11.4902 -11.4791 -11.4679 -11.4248 -11.4004 -11.3299 -11.2935 -11.2929 -11.2393 -11.2193 -11.1660 -11.0546 -10.9641 -10.9453 -10.8539 -10.8119 -10.8063 -10.6896 -10.6643 -10.5032 -10.4995 -10.4235 -10.3992 -10.2945 -10.2850 -10.2344 -10.1704 -10.1253 -9.9890 -9.9487 -9.9143 -9.8645 -9.7522 -9.7317 -9.5999 -9.5954 -9.5289 -9.4836 -9.4764 -9.4176 -9.4170 -9.3860 -9.3656 -9.3312 -9.3260 -9.3146 -9.2356 -9.2261 -9.2080 -9.1614 -9.1576 -9.0657 -9.0436 -9.0079 -8.8875 -8.6130 -8.6088 -8.3140 -8.0323 -7.9442 -7.6873 -7.2098 -7.1647 -7.0575 -7.0562 -6.3354 -6.3262 -5.9409 -5.6159 -5.1206 -5.1087 -4.5456 -4.2252 -4.1112 -3.9233 -3.7857 -3.7559 -3.5557 -3.4133 -3.1260 -2.6115 -2.4459 -2.1530 -1.9558 -1.8460 -1.7268 -1.4421 -0.6980 -0.6066 -0.3835 -0.1028 -0.0543 0.1957 -24.6546 -24.4648 -15.0446 -13.9658 -13.4157 -13.3155 -13.2506 -13.1964 -13.1234 -13.0609 -13.0444 -13.0213 -12.9752 -12.8450 -12.7989 -12.7770 -12.7598 -12.6770 -12.5167 -12.4838 -12.3394 -12.2786 -12.1996 -12.1421 -12.0680 -11.9155 -11.8699 -11.8058 -11.7267 -11.7201 -11.5974 -11.5823 -11.4428 -11.4092 -11.3750 -11.3674 -11.3154 -11.2513 -11.2190 -11.2043 -11.1551 -11.1307 -11.1045 -11.0496 -10.9989 -10.9531 -10.9265 -10.8988 -10.7638 -10.6991 -10.6479 -10.5913 -10.5578 -10.5071 -10.4968 -10.3492 -10.2910 -10.2575 -10.2315 -10.1521 -10.1248 -10.0222 -9.9856 -9.9184 -9.8575 -9.8502 -9.8062 -9.7336 -9.7058 -9.6744 -9.6261 -9.6099 -9.6076 -9.5313 -9.5016 -9.4394 -9.4118 -9.3865 -9.3373 -9.3159 -9.2793 -9.2277 -9.1983 -9.1690 -9.1260 -8.9351 -8.8418 -8.4519 -8.4133 -8.4105 -8.2921 -8.1684 -7.5373 -7.3476 -7.2564 -7.2265 -6.0362 -5.9694 -5.6906 -5.5122 -5.4703 -4.9420 -4.2517 -4.1660 -3.5516 -3.4572 -3.4439 -3.1583 -3.0673 -2.7448 -2.5338 -2.3026 -2.0802 -1.7235 -1.6914 -1.2832 -1.2704 -1.0763 -0.8377 -0.8269 -0.5609 -0.3468 -0.0290 0.0916 -24.6903 -24.4235 -15.0519 -13.9987 -13.4195 -13.3500 -13.2390 -13.2038 -13.1305 -13.1089 -13.0645 -12.9963 -12.9346 -12.9036 -12.7988 -12.7785 -12.7583 -12.6530 -12.5099 -12.5011 -12.3521 -12.2707 -12.2491 -12.1425 -11.9611 -11.9226 -11.8136 -11.7394 -11.7234 -11.6698 -11.6334 -11.5688 -11.5295 -11.4498 -11.3810 -11.3717 -11.2852 -11.2421 -11.2147 -11.1699 -11.1260 -11.1037 -11.0862 -11.0433 -11.0343 -10.9496 -10.9175 -10.8579 -10.8093 -10.7726 -10.7453 -10.6275 -10.5656 -10.5389 -10.4770 -10.3820 -10.2846 -10.2560 -10.1715 -10.1083 -10.0865 -10.0527 -10.0461 -9.8954 -9.8791 -9.8180 -9.8155 -9.7584 -9.7257 -9.7040 -9.6372 -9.5923 -9.5813 -9.5080 -9.5056 -9.4744 -9.3901 -9.3789 -9.3322 -9.3181 -9.2805 -9.2349 -9.1802 -9.1675 -9.1276 -8.8694 -8.8523 -8.7062 -8.5176 -8.3270 -8.2614 -7.9262 -7.5579 -7.3834 -7.0837 -6.9405 -6.1021 -5.8665 -5.7865 -5.6058 -5.0114 -5.0088 -4.4930 -3.9899 -3.7488 -3.5410 -3.3839 -3.2225 -3.1460 -2.7737 -2.7635 -2.1722 -2.0799 -1.9273 -1.5808 -1.4759 -1.1383 -1.1077 -0.9733 -0.5738 -0.5071 -0.3197 -0.0814 -0.0444 -24.5932 -24.5222 -14.5499 -13.5584 -13.5218 -13.2037 -13.0197 -12.9886 -12.8778 -12.8560 -12.8192 -12.7445 -12.7115 -12.6758 -12.5622 -12.5184 -12.4962 -12.4116 -12.4093 -12.2986 -12.2036 -12.1475 -12.0827 -12.0726 -12.0036 -11.9367 -11.9291 -11.9076 -11.7751 -11.7218 -11.7138 -11.6489 -11.5509 -11.5325 -11.4159 -11.4012 -11.3179 -11.3164 -11.2722 -11.2516 -11.2184 -11.1992 -11.1656 -11.1557 -11.0700 -10.9894 -10.9787 -10.9284 -10.9131 -10.8545 -10.8023 -10.7105 -10.6633 -10.5670 -10.5627 -10.5360 -10.5057 -10.4610 -10.4088 -10.3941 -10.3382 -10.2788 -10.2712 -10.1824 -10.1753 -10.0902 -10.0875 -10.0510 -9.9452 -9.9448 -9.9121 -9.8874 -9.8029 -9.6887 -9.6721 -9.5971 -9.5364 -9.5092 -9.4359 -9.4172 -9.4082 -9.3254 -9.2956 -9.2266 -9.1906 -9.1673 -8.9886 -8.8070 -8.6863 -8.3773 -8.2694 -8.1376 -7.9364 -7.3943 -7.3224 -6.6290 -6.5945 -5.9962 -5.8576 -4.9903 -4.8284 -4.6172 -4.4084 -3.7498 -3.3129 -3.2509 -3.1300 -2.7669 -2.5760 -1.9372 -1.8871 -1.7428 -1.7187 -1.4370 -1.3383 -1.1410 -1.1156 -0.9070 -0.6075 -0.4994 -0.4432 -0.0906 -0.0281 0.1299 -24.6836 -24.4220 -14.5738 -13.7255 -13.4239 -13.2317 -13.1260 -12.9613 -12.9584 -12.8608 -12.7816 -12.7675 -12.7107 -12.6605 -12.5579 -12.5385 -12.4751 -12.4092 -12.3578 -12.2861 -12.2231 -12.1929 -12.0742 -11.9657 -11.9540 -11.9257 -11.9116 -11.8343 -11.7525 -11.7377 -11.7267 -11.6158 -11.6024 -11.5037 -11.4851 -11.4106 -11.3740 -11.3295 -11.3196 -11.2305 -11.2070 -11.1936 -11.1503 -11.1090 -11.0480 -10.9897 -10.9749 -10.9630 -10.9155 -10.8265 -10.7846 -10.7656 -10.6935 -10.6049 -10.5639 -10.5491 -10.5043 -10.4751 -10.4377 -10.3860 -10.3477 -10.2647 -10.2210 -10.1930 -10.1687 -10.1636 -10.0509 -10.0271 -9.9660 -9.9402 -9.9125 -9.8900 -9.7532 -9.7173 -9.6583 -9.6146 -9.5768 -9.5002 -9.4786 -9.4004 -9.3498 -9.3219 -9.3103 -9.2485 -9.2149 -9.1573 -9.0887 -8.7979 -8.6769 -8.4798 -8.1785 -7.9361 -7.8807 -7.3361 -6.9594 -6.7916 -6.1262 -6.0231 -5.9576 -4.9809 -4.6599 -4.5413 -4.2310 -4.2095 -3.5239 -3.2481 -3.1535 -2.7512 -2.4133 -2.1772 -1.9111 -1.8087 -1.7525 -1.6198 -1.3238 -1.1208 -1.0983 -1.0280 -0.7153 -0.4137 -0.4094 -0.1293 -0.0364 0.1140 -24.5867 -24.5250 -13.9666 -13.9543 -13.2942 -13.2275 -12.9604 -12.8317 -12.7864 -12.7122 -12.6820 -12.5819 -12.4791 -12.4332 -12.4208 -12.3788 -12.3638 -12.2739 -12.2731 -12.2395 -12.1617 -12.0828 -12.0621 -12.0291 -11.9657 -11.9576 -11.8653 -11.8479 -11.8276 -11.7959 -11.7662 -11.7482 -11.6930 -11.6536 -11.5020 -11.4968 -11.4690 -11.3807 -11.3657 -11.3348 -11.2827 -11.2060 -11.1686 -11.1625 -11.0957 -11.0682 -11.0395 -11.0321 -10.9626 -10.9010 -10.8838 -10.8581 -10.8092 -10.7044 -10.6745 -10.6288 -10.5745 -10.5379 -10.5048 -10.4329 -10.4259 -10.3635 -10.2873 -10.2716 -10.2206 -10.1877 -10.1297 -10.1170 -10.0198 -9.9662 -9.9575 -9.8779 -9.8694 -9.8567 -9.7585 -9.7444 -9.6958 -9.6635 -9.5825 -9.5046 -9.4524 -9.3906 -9.3471 -9.3440 -9.2088 -9.1967 -8.8807 -8.8445 -8.7407 -8.3899 -8.1940 -8.1217 -7.9939 -7.4140 -7.1030 -7.0123 -6.1928 -6.0881 -5.8109 -5.3514 -4.9159 -3.9800 -3.8203 -3.5904 -3.3683 -3.2456 -2.6153 -2.5418 -2.4993 -2.0753 -2.0292 -1.9698 -1.7068 -1.2417 -1.1568 -1.0648 -0.9797 -0.7814 -0.5198 -0.4349 -0.3791 -0.2664 -0.1352 -0.0895 -24.6805 -24.4214 -14.0916 -13.9120 -13.3890 -13.1811 -13.0554 -12.8474 -12.8201 -12.6706 -12.6631 -12.6436 -12.4546 -12.4466 -12.3980 -12.3493 -12.3256 -12.3251 -12.1950 -12.1748 -12.1241 -12.1047 -12.0874 -12.0383 -11.9862 -11.9248 -11.8735 -11.8719 -11.8383 -11.7652 -11.7509 -11.7407 -11.7300 -11.5783 -11.5485 -11.5321 -11.4941 -11.4242 -11.3572 -11.3186 -11.2694 -11.2568 -11.1532 -11.1500 -11.1104 -11.0512 -11.0246 -11.0146 -10.9033 -10.8953 -10.8689 -10.8634 -10.7707 -10.7026 -10.6148 -10.6055 -10.6033 -10.5561 -10.4647 -10.4418 -10.4303 -10.4034 -10.3494 -10.3266 -10.2742 -10.2252 -10.1116 -10.0826 -10.0314 -9.9750 -9.9618 -9.9155 -9.8291 -9.8166 -9.7701 -9.7573 -9.6619 -9.6588 -9.5849 -9.5607 -9.4463 -9.4182 -9.3347 -9.3026 -9.2347 -9.2166 -9.1644 -8.7829 -8.5545 -8.4576 -8.1604 -7.9413 -7.9310 -7.2989 -6.9642 -6.8775 -6.1670 -6.0099 -5.7014 -5.1017 -5.0341 -4.3681 -3.8013 -3.5674 -3.2681 -3.2304 -2.7224 -2.7157 -2.2591 -2.0663 -2.0494 -1.9119 -1.8448 -1.4337 -1.1181 -1.0705 -0.9241 -0.8503 -0.7317 -0.5013 -0.4070 -0.3092 -0.3028 -0.0822 -24.6466 -24.4644 -14.5615 -13.6173 -13.5081 -13.1651 -13.1354 -12.9513 -12.9069 -12.8943 -12.7950 -12.7376 -12.7347 -12.6566 -12.5789 -12.5215 -12.4980 -12.3989 -12.3033 -12.2953 -12.2492 -12.1919 -12.1004 -12.0017 -11.9769 -11.9070 -11.8826 -11.8255 -11.7725 -11.7476 -11.7037 -11.6155 -11.5843 -11.5376 -11.4729 -11.4574 -11.3533 -11.3188 -11.2941 -11.2234 -11.1914 -11.1770 -11.1535 -11.1441 -11.0449 -11.0171 -10.9928 -10.9485 -10.9363 -10.8781 -10.8185 -10.7593 -10.6873 -10.6406 -10.5568 -10.5254 -10.5047 -10.4524 -10.4196 -10.4137 -10.3431 -10.2503 -10.2327 -10.1906 -10.1416 -10.0926 -10.0560 -10.0499 -9.9580 -9.9529 -9.8856 -9.8692 -9.7301 -9.7096 -9.6997 -9.6021 -9.6016 -9.4850 -9.4511 -9.4226 -9.3654 -9.3376 -9.2885 -9.2155 -9.2027 -9.1582 -8.9916 -8.7732 -8.6507 -8.5263 -8.2674 -8.1071 -7.7789 -7.4603 -7.1430 -6.6822 -6.4795 -6.0441 -5.6527 -5.2306 -4.7094 -4.4675 -4.4403 -3.7683 -3.4460 -3.2853 -3.1345 -2.7295 -2.6500 -2.0013 -1.9101 -1.7443 -1.6515 -1.5005 -1.3908 -1.2887 -1.0956 -0.7513 -0.7458 -0.5501 -0.4425 -0.1369 0.0429 0.0683 -24.6836 -24.4220 -14.5738 -13.7256 -13.4238 -13.2314 -13.1258 -12.9626 -12.9581 -12.8588 -12.7813 -12.7688 -12.7102 -12.6592 -12.5580 -12.5384 -12.4756 -12.4088 -12.3576 -12.2854 -12.2233 -12.1944 -12.0746 -11.9659 -11.9539 -11.9250 -11.9108 -11.8345 -11.7524 -11.7369 -11.7261 -11.6150 -11.5982 -11.5057 -11.4853 -11.4135 -11.3737 -11.3313 -11.3199 -11.2319 -11.2087 -11.1951 -11.1461 -11.1098 -11.0515 -10.9895 -10.9749 -10.9620 -10.9172 -10.8284 -10.7867 -10.7678 -10.6928 -10.6076 -10.5634 -10.5488 -10.5042 -10.4754 -10.4364 -10.3863 -10.3478 -10.2634 -10.2198 -10.1922 -10.1677 -10.1629 -10.0504 -10.0249 -9.9659 -9.9407 -9.9118 -9.8899 -9.7522 -9.7174 -9.6569 -9.6144 -9.5766 -9.5012 -9.4782 -9.4009 -9.3491 -9.3230 -9.3103 -9.2484 -9.2148 -9.1572 -9.0892 -8.7975 -8.6758 -8.4801 -8.1783 -7.9367 -7.8813 -7.3360 -6.9577 -6.7936 -6.1261 -6.0220 -5.9560 -4.9797 -4.6604 -4.5416 -4.2284 -4.2091 -3.5261 -3.2491 -3.1498 -2.7589 -2.4150 -2.1759 -1.9092 -1.7827 -1.7575 -1.6297 -1.3232 -1.1295 -1.0907 -1.0420 -0.7196 -0.4376 -0.4074 -0.1310 -0.0093 0.1149 -24.6903 -24.4235 -15.0519 -13.9988 -13.4193 -13.3489 -13.2385 -13.2045 -13.1304 -13.1089 -13.0652 -12.9958 -12.9339 -12.9032 -12.7987 -12.7786 -12.7587 -12.6538 -12.5095 -12.5008 -12.3522 -12.2722 -12.2487 -12.1429 -11.9617 -11.9205 -11.8144 -11.7370 -11.7207 -11.6720 -11.6342 -11.5675 -11.5273 -11.4508 -11.3817 -11.3749 -11.2863 -11.2428 -11.2129 -11.1704 -11.1258 -11.1028 -11.0862 -11.0433 -11.0352 -10.9511 -10.9153 -10.8593 -10.8125 -10.7728 -10.7454 -10.6305 -10.5680 -10.5384 -10.4766 -10.3814 -10.2851 -10.2569 -10.1723 -10.1064 -10.0854 -10.0524 -10.0451 -9.8962 -9.8788 -9.8176 -9.8152 -9.7580 -9.7263 -9.7034 -9.6370 -9.5925 -9.5813 -9.5073 -9.5051 -9.4759 -9.3907 -9.3794 -9.3316 -9.3171 -9.2813 -9.2347 -9.1791 -9.1652 -9.1272 -8.8693 -8.8504 -8.7059 -8.5187 -8.3273 -8.2616 -7.9274 -7.5582 -7.3835 -7.0860 -6.9372 -6.1028 -5.8643 -5.7868 -5.6023 -5.0105 -5.0063 -4.4925 -3.9928 -3.7483 -3.5405 -3.3868 -3.2253 -3.1483 -2.7750 -2.7612 -2.1596 -2.0763 -1.9248 -1.6012 -1.4798 -1.1363 -1.1069 -0.9745 -0.5617 -0.4999 -0.3187 -0.1178 -0.0200 -24.6522 -24.4647 -14.9193 -13.8666 -13.4783 -13.2512 -13.2362 -13.0478 -13.0441 -13.0165 -12.9991 -12.9872 -12.9318 -12.7581 -12.7490 -12.7163 -12.6445 -12.6219 -12.5391 -12.3281 -12.3118 -12.2420 -12.2068 -12.0935 -12.0458 -11.9366 -11.8435 -11.7978 -11.7704 -11.7401 -11.6096 -11.5533 -11.4895 -11.4369 -11.3932 -11.3736 -11.2588 -11.2548 -11.2159 -11.1656 -11.1183 -11.1121 -11.0795 -11.0719 -11.0255 -10.9987 -10.9574 -10.9406 -10.8823 -10.7662 -10.7611 -10.6150 -10.6017 -10.5290 -10.5059 -10.4125 -10.4060 -10.3714 -10.2249 -10.1300 -10.1076 -10.1056 -10.0528 -10.0252 -10.0218 -9.9368 -9.8435 -9.8165 -9.7737 -9.7553 -9.7341 -9.6934 -9.6694 -9.6430 -9.6022 -9.4970 -9.4878 -9.4248 -9.3903 -9.3509 -9.2992 -9.2829 -9.2565 -9.1998 -9.1400 -9.0974 -9.0961 -8.6563 -8.4478 -8.3289 -8.2558 -7.7987 -7.3682 -7.2895 -7.2757 -6.9757 -6.5376 -6.2446 -6.1966 -5.2771 -4.9669 -4.4765 -4.2894 -3.8386 -3.7888 -3.4501 -3.2291 -2.9470 -2.8279 -2.7987 -2.3513 -2.0597 -1.9223 -1.6320 -1.5397 -1.3747 -1.3164 -1.1288 -0.7700 -0.3086 -0.2974 -0.2398 0.0173 0.0989 -24.5933 -24.5222 -14.5500 -13.5582 -13.5224 -13.2027 -13.0190 -12.9897 -12.8791 -12.8561 -12.8208 -12.7447 -12.7121 -12.6756 -12.5614 -12.5183 -12.4952 -12.4116 -12.4097 -12.2994 -12.2050 -12.1465 -12.0806 -12.0723 -12.0036 -11.9359 -11.9304 -11.9066 -11.7758 -11.7219 -11.7144 -11.6486 -11.5495 -11.5300 -11.4148 -11.4007 -11.3185 -11.3180 -11.2720 -11.2505 -11.2202 -11.1989 -11.1650 -11.1552 -11.0713 -10.9886 -10.9781 -10.9296 -10.9137 -10.8545 -10.8030 -10.7092 -10.6628 -10.5669 -10.5622 -10.5357 -10.5039 -10.4615 -10.4084 -10.3939 -10.3383 -10.2780 -10.2704 -10.1828 -10.1749 -10.0896 -10.0873 -10.0516 -9.9457 -9.9452 -9.9123 -9.8871 -9.8043 -9.6876 -9.6724 -9.5972 -9.5364 -9.5089 -9.4368 -9.4172 -9.4079 -9.3248 -9.2951 -9.2269 -9.1915 -9.1675 -8.9898 -8.8084 -8.6861 -8.3776 -8.2666 -8.1396 -7.9374 -7.3935 -7.3224 -6.6303 -6.5971 -5.9963 -5.8555 -4.9902 -4.8304 -4.6173 -4.4093 -3.7488 -3.3110 -3.2536 -3.1325 -2.7603 -2.5773 -1.9388 -1.8748 -1.7919 -1.7298 -1.3837 -1.3390 -1.1435 -1.0829 -0.9103 -0.6285 -0.4647 -0.4571 -0.2690 -0.0101 0.0974 -24.6467 -24.4644 -14.5616 -13.6170 -13.5086 -13.1653 -13.1342 -12.9525 -12.9090 -12.8954 -12.7949 -12.7377 -12.7358 -12.6570 -12.5780 -12.5218 -12.4974 -12.3995 -12.3041 -12.2965 -12.2487 -12.1888 -12.1008 -12.0019 -11.9764 -11.9070 -11.8825 -11.8251 -11.7754 -11.7468 -11.7051 -11.6151 -11.5851 -11.5355 -11.4688 -11.4577 -11.3527 -11.3183 -11.2933 -11.2214 -11.1909 -11.1758 -11.1543 -11.1462 -11.0460 -11.0158 -10.9929 -10.9469 -10.9361 -10.8746 -10.8176 -10.7580 -10.6860 -10.6382 -10.5556 -10.5253 -10.5037 -10.4524 -10.4196 -10.4135 -10.3431 -10.2511 -10.2334 -10.1908 -10.1429 -10.0937 -10.0572 -10.0519 -9.9577 -9.9536 -9.8868 -9.8692 -9.7301 -9.7098 -9.7004 -9.6033 -9.6011 -9.4851 -9.4502 -9.4230 -9.3648 -9.3383 -9.2876 -9.2158 -9.2034 -9.1588 -8.9925 -8.7750 -8.6505 -8.5270 -8.2672 -8.1066 -7.7793 -7.4593 -7.1436 -6.6840 -6.4810 -6.0448 -5.6518 -5.2325 -4.7111 -4.4681 -4.4429 -3.7669 -3.4440 -3.2857 -3.1416 -2.7126 -2.6519 -2.0030 -1.9191 -1.7538 -1.7059 -1.5011 -1.3444 -1.2689 -1.0409 -0.7370 -0.7354 -0.5426 -0.5191 -0.2560 -0.0124 0.2163 -24.5852 -24.5257 -14.0127 -13.5973 -13.3769 -13.2083 -13.0224 -12.7934 -12.7400 -12.6325 -12.5945 -12.4981 -12.4497 -12.4228 -12.3795 -12.3366 -12.3042 -12.2965 -12.2828 -12.2026 -12.1775 -12.1369 -12.0825 -12.0196 -11.9861 -11.9775 -11.9641 -11.9271 -11.8339 -11.8074 -11.8002 -11.7414 -11.6879 -11.6303 -11.5785 -11.5196 -11.4947 -11.4386 -11.4076 -11.3382 -11.2847 -11.2818 -11.2358 -11.2070 -11.1850 -11.1375 -11.1333 -11.0609 -11.0088 -10.9265 -10.9033 -10.8836 -10.7920 -10.6699 -10.6474 -10.6283 -10.5478 -10.5136 -10.4934 -10.4111 -10.4020 -10.3847 -10.2802 -10.2733 -10.2172 -10.1259 -10.1087 -10.0582 -9.9777 -9.9702 -9.8794 -9.7962 -9.7788 -9.7435 -9.7311 -9.6456 -9.6153 -9.5169 -9.5019 -9.4496 -9.4456 -9.3774 -9.3478 -9.3272 -9.3128 -9.2640 -9.1784 -9.1235 -8.8834 -8.8542 -8.2158 -8.2117 -7.9672 -7.6927 -7.1233 -6.8235 -6.4614 -6.0098 -5.1581 -4.7888 -4.7070 -4.3932 -3.9534 -3.8230 -3.4124 -2.8466 -2.7447 -2.6184 -2.5059 -2.1883 -2.1122 -1.8807 -1.5993 -1.4238 -1.3219 -1.2859 -1.1528 -0.9110 -0.5592 -0.4997 -0.2822 -0.0798 0.1245 0.3460 -24.6423 -24.4642 -14.0505 -13.5406 -13.4922 -13.1974 -13.0082 -12.8825 -12.6927 -12.6457 -12.5924 -12.4927 -12.4874 -12.4237 -12.3832 -12.3420 -12.3170 -12.2626 -12.2621 -12.1561 -12.1500 -12.1145 -12.0306 -12.0070 -11.9917 -11.9769 -11.9277 -11.8911 -11.8585 -11.7933 -11.7807 -11.7323 -11.7301 -11.7130 -11.5959 -11.5675 -11.4748 -11.4297 -11.3709 -11.3490 -11.3241 -11.3042 -11.2583 -11.2168 -11.1674 -11.1672 -11.1046 -11.0610 -10.9858 -10.9235 -10.8837 -10.8733 -10.8229 -10.6721 -10.6633 -10.6144 -10.5963 -10.5053 -10.4936 -10.4390 -10.4183 -10.3653 -10.2649 -10.2416 -10.1853 -10.1291 -10.0939 -10.0809 -10.0028 -9.9565 -9.8925 -9.7891 -9.7876 -9.7332 -9.7169 -9.6579 -9.5976 -9.5461 -9.4949 -9.4395 -9.4190 -9.3971 -9.3586 -9.3210 -9.2963 -9.2471 -9.1989 -9.1678 -9.0213 -8.6175 -8.4194 -8.1386 -7.7754 -7.7055 -7.0117 -6.7433 -6.6652 -5.5905 -5.2835 -4.7867 -4.6966 -4.6566 -3.9125 -3.5511 -3.5193 -2.9514 -2.7448 -2.6868 -2.5468 -2.0866 -1.9652 -1.8146 -1.8112 -1.4786 -1.3499 -1.2845 -1.1261 -1.0264 -0.6036 -0.5605 -0.2831 -0.0237 0.0619 0.0664 -24.6423 -24.4642 -14.0505 -13.5409 -13.4922 -13.1972 -13.0088 -12.8820 -12.6911 -12.6448 -12.5925 -12.4913 -12.4867 -12.4231 -12.3838 -12.3421 -12.3174 -12.2622 -12.2621 -12.1558 -12.1504 -12.1145 -12.0318 -12.0072 -11.9926 -11.9773 -11.9273 -11.8903 -11.8587 -11.7934 -11.7802 -11.7320 -11.7302 -11.7135 -11.5972 -11.5682 -11.4740 -11.4305 -11.3722 -11.3497 -11.3248 -11.3052 -11.2574 -11.2175 -11.1671 -11.1668 -11.1070 -11.0619 -10.9839 -10.9234 -10.8843 -10.8722 -10.8256 -10.6728 -10.6633 -10.6149 -10.5979 -10.5047 -10.4935 -10.4404 -10.4168 -10.3642 -10.2658 -10.2411 -10.1841 -10.1284 -10.0937 -10.0813 -10.0028 -9.9561 -9.8920 -9.7880 -9.7864 -9.7324 -9.7170 -9.6576 -9.5984 -9.5461 -9.4952 -9.4406 -9.4191 -9.3960 -9.3583 -9.3207 -9.2949 -9.2474 -9.1990 -9.1677 -9.0221 -8.6178 -8.4182 -8.1389 -7.7760 -7.7053 -7.0099 -6.7425 -6.6677 -5.5882 -5.2824 -4.7852 -4.6988 -4.6584 -3.9129 -3.5501 -3.5117 -2.9548 -2.7422 -2.6915 -2.5425 -2.1075 -1.9610 -1.8154 -1.8142 -1.4744 -1.3550 -1.2596 -1.0611 -1.0549 -0.7090 -0.4386 -0.3439 -0.1665 0.0951 0.1545 -24.5904 -24.5235 -14.3447 -13.7806 -13.4497 -13.2302 -12.9623 -12.9247 -12.8053 -12.7924 -12.7453 -12.7218 -12.6165 -12.5155 -12.5144 -12.5075 -12.3954 -12.3085 -12.3029 -12.2844 -12.2253 -12.1681 -12.0750 -11.9840 -11.9232 -11.9080 -11.8650 -11.8404 -11.7886 -11.7762 -11.7028 -11.6830 -11.6616 -11.5424 -11.5031 -11.4066 -11.3674 -11.3526 -11.2988 -11.2695 -11.2224 -11.1727 -11.1440 -11.1375 -11.0227 -11.0178 -10.9583 -10.9359 -10.9286 -10.8322 -10.8092 -10.7375 -10.7255 -10.6950 -10.6728 -10.6411 -10.5437 -10.5147 -10.4899 -10.4802 -10.3927 -10.3308 -10.2819 -10.2229 -10.1615 -10.1531 -10.1059 -10.0854 -10.0569 -10.0497 -9.9796 -9.9775 -9.9100 -9.8562 -9.8060 -9.7742 -9.7443 -9.6511 -9.5253 -9.4784 -9.3971 -9.3805 -9.3045 -9.2962 -9.1308 -9.1303 -8.9152 -8.7961 -8.3454 -8.3160 -8.2161 -8.0242 -7.3658 -7.3461 -7.2134 -6.9494 -6.5515 -6.3795 -6.0030 -5.4791 -4.7713 -4.6053 -4.1034 -3.3415 -3.0522 -2.9255 -2.9196 -2.5448 -2.3232 -2.2130 -2.2051 -1.7168 -1.6307 -1.5322 -1.4724 -1.0677 -0.9517 -0.6611 -0.5622 -0.5230 -0.4349 -0.1482 0.0893 0.2192 -24.5868 -24.5251 -13.9668 -13.9544 -13.2932 -13.2266 -12.9604 -12.8336 -12.7882 -12.7154 -12.6829 -12.5846 -12.4781 -12.4333 -12.4216 -12.3773 -12.3654 -12.2729 -12.2722 -12.2393 -12.1617 -12.0838 -12.0606 -12.0278 -11.9653 -11.9568 -11.8657 -11.8477 -11.8261 -11.7954 -11.7650 -11.7483 -11.6921 -11.6528 -11.5017 -11.4957 -11.4695 -11.3816 -11.3652 -11.3324 -11.2811 -11.2049 -11.1684 -11.1635 -11.0969 -11.0665 -11.0391 -11.0315 -10.9616 -10.9007 -10.8846 -10.8582 -10.8104 -10.7042 -10.6744 -10.6286 -10.5719 -10.5370 -10.5036 -10.4320 -10.4265 -10.3645 -10.2889 -10.2725 -10.2190 -10.1868 -10.1297 -10.1170 -10.0202 -9.9656 -9.9580 -9.8775 -9.8708 -9.8570 -9.7588 -9.7452 -9.6968 -9.6640 -9.5851 -9.5045 -9.4515 -9.3895 -9.3472 -9.3436 -9.2094 -9.1971 -8.8807 -8.8449 -8.7427 -8.3904 -8.1923 -8.1227 -7.9955 -7.4128 -7.1041 -7.0145 -6.1934 -6.0871 -5.8127 -5.3529 -4.9151 -3.9801 -3.8194 -3.5908 -3.3685 -3.2536 -2.6114 -2.5538 -2.5106 -2.0628 -1.9941 -1.9549 -1.7036 -1.2614 -1.2563 -1.1173 -0.9445 -0.7151 -0.4647 -0.4135 -0.4043 -0.2940 -0.0750 -0.0538</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="3100">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00140 0.05748 -0.02364 -0.00841 -0.00543 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00216 0.47383 0.29085 0.01088 0.00885 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00066 1.00430 0.18290 0.04642 -0.01674 -0.01945 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00015 0.98103 0.78637 0.73734 -0.03544 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00001 1.00025 0.87730 0.64378 -0.03503 -0.02675 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 0.97633 0.94096 0.48266 -0.03361 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 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 1.00000 1.00000 1.00039 0.96802 0.70164 -0.03534 -0.01057 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00216 0.47303 0.28988 0.01156 0.00994 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.02281 0.94389 0.66609 0.54355 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.01818 0.99867 0.05381 -0.03252 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00000 1.00966 0.88649 -0.00013 -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 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 1.00000 1.00000 1.00000 1.00001 0.91978 -0.03496 -0.00526 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00000 1.00000 1.02394 0.09589 -0.02703 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00000 1.00000 0.81886 -0.03527 -0.01882 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00026 1.03545 0.21208 -0.00052 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 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 1.00000 1.00000 1.00000 1.00001 0.91963 -0.03481 -0.00545 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.01812 0.99876 0.05843 -0.03195 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00015 0.97900 0.78806 0.73990 -0.03538 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00000 1.00901 0.88658 -0.00014 -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 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 1.00000 1.00000 1.00000 1.00025 1.03544 0.21408 -0.00055 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 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 1.00000 1.00000 1.00000 1.00000 1.00193 0.14994 -0.00898 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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 1.00000 1.00000 1.00000 1.00028 1.00147 -0.02730 -0.00207 -0.00034 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 1.00028 1.00147 -0.02810 -0.00204 -0.00037 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 1.00000 1.00000 1.00000 0.97550 0.94101 0.48826 -0.03388 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 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 1.00000 1.00000 1.00000 1.00000 1.02328 0.09855 -0.02602 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 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="54"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="36"
                          units="nonsi2:ev.angstrom-1">0.002706 -0.028830 -0.066493 -0.001009 0.033065 -0.013635 0.002684 -0.028882 -0.066353 -0.000949 0.033087 -0.013603 0.004924 -0.105379 -0.004902 -0.004240 0.093845 0.109675 0.005017 -0.105231 -0.005025 -0.004634 0.093743 0.109751 -0.000766 0.003401 -0.016221 0.001613 -0.000645 -0.020271 -0.000589 0.003755 -0.017177 0.001687 -0.000669 -0.020333 0.017098 -0.210188 -0.281041 0.000996 0.075292 -0.110420 0.017004 -0.211096 -0.282055 -0.000014 0.072961 -0.108396 -0.018666 0.138272 0.404845 -0.022862 0.143500 0.401654 0.003118 -0.030153 -0.065836 -0.000594 0.031868 -0.013274 0.003103 -0.030202 -0.065788 -0.000531 0.031889 -0.013245 0.005306 -0.106507 -0.004681 -0.003851 0.092585 0.109859 0.005406 -0.106382 -0.004744 -0.004233 0.092482 0.109936 0.000969 0.002628 -0.021848 0.001907 -0.002475 -0.018664 0.001105 0.002907 -0.022731 0.001996 -0.002492 -0.018744 0.016001 -0.147606 -0.238560 0.000782 0.027479 -0.088345 0.015913 -0.148018 -0.237028 0.000515 0.025830 -0.086782 -0.026015 0.131100 0.338181 -0.020898 0.135066 0.342296 -0.001135 -0.029448 -0.066655 -0.004850 0.033041 -0.014403 -0.001149 -0.029496 -0.066615 -0.004781 0.033062 -0.014376 0.001042 -0.105150 -0.006093 -0.008128 0.093515 0.108156 0.001146 -0.105047 -0.006113 -0.008474 0.093402 0.108220 -0.001267 0.005755 -0.042716 -0.002191 -0.004015 -0.016102 -0.001365 0.005959 -0.044948 -0.001648 -0.004192 -0.014878 0.006590 0.028200 -0.124124 -0.008013 -0.115143 -0.029374 0.003529 0.026043 -0.119234 -0.007832 -0.115314 -0.029550 0.015406 0.093360 0.189304 0.023121 0.095469 0.189500 0.000780 -0.029043 -0.070237 -0.002787 0.034026 -0.019195 0.000758 -0.029109 -0.070151 -0.002706 0.034045 -0.019163 0.003175 -0.103488 -0.013150 -0.006010 0.094237 0.100935 0.003292 -0.103441 -0.013080 -0.006280 0.094100 0.101007 0.004077 0.010093 -0.096925 0.000186 -0.006342 -0.013654 0.004854 0.010161 -0.097701 -0.000891 -0.006066 -0.013480 -0.006595 0.373741 0.107486 -0.011650 -0.393462 0.080750 -0.009264 0.371785 0.109471 -0.009789 -0.389319 0.080450 0.020469 0.019396 -0.075992 0.018383 0.018686 -0.077369 0.000901 -0.032228 -0.069147 -0.002741 0.030539 -0.017350 0.000875 -0.032283 -0.069129 -0.002669 0.030557 -0.017324 0.003135 -0.107452 -0.009981 -0.006012 0.090869 0.104227 0.003260 -0.107388 -0.009958 -0.006328 0.090745 0.104281 0.002203 0.004513 -0.065054 0.000147 -0.008088 -0.015920 0.002122 0.004365 -0.065559 0.000333 -0.008080 -0.016082 -0.004118 0.170702 -0.029306 -0.008760 -0.225045 0.009820 -0.002987 0.165436 -0.027236 -0.008492 -0.224020 0.009066 0.011087 0.078414 0.091026 0.018045 0.078445 0.093627 0.000655 -0.030312 -0.068488 -0.002934 0.032441 -0.016959 0.000631 -0.030365 -0.068462 -0.002865 0.032460 -0.016930 0.003043 -0.104476 -0.012403 -0.006085 0.092048 0.101728 0.003168 -0.104412 -0.012378 -0.006377 0.091925 0.101806 0.002273 -0.002251 -0.049884 0.000274 -0.003298 -0.015236 0.002175 -0.002402 -0.050362 0.000433 -0.003323 -0.015325 -0.004469 0.150129 -0.022739 -0.009828 -0.178944 0.006542 -0.003046 0.152106 -0.018708 -0.010081 -0.177769 0.005728 0.010052 0.042951 0.074207 0.022983 0.043493 0.077864 0.000173 -0.030035 -0.070174 -0.003287 0.032466 -0.019330 0.000157 -0.030082 -0.070079 -0.003228 0.032481 -0.019309 0.003231 -0.101197 -0.023228 -0.006091 0.089976 0.090603 0.003357 -0.101187 -0.023202 -0.006306 0.089825 0.090767 0.006304 -0.036162 0.000740 -0.001196 0.006987 -0.018606 0.006151 -0.036332 0.000384 -0.002048 0.007129 -0.017249 0.003077 0.099321 -0.016375 -0.004937 -0.039745 -0.015343 0.001362 0.103617 -0.014662 -0.006692 -0.038238 -0.016260 0.001448 -0.022720 0.070995 0.008524 -0.026103 0.070327 0.002125 -0.030635 -0.068659 -0.001088 0.030890 -0.019737 0.002120 -0.030655 -0.068608 -0.001056 0.030903 -0.019723 0.006518 -0.095933 -0.039767 -0.003092 0.083967 0.072609 0.006662 -0.096026 -0.039710 -0.003152 0.083804 0.072918 -0.000733 -0.087425 0.099253 -0.003091 0.028947 -0.017407 0.001745 -0.089444 0.099917 -0.005253 0.028167 -0.015569 0.010553 -0.008398 0.003921 0.006835 0.219744 -0.058412 0.003474 0.001321 0.010367 0.001734 0.221963 -0.058485 -0.011131 -0.146058 0.023503 -0.013170 -0.145131 0.023591 0.002049 -0.032276 -0.069141 -0.001299 0.029996 -0.018997 0.002028 -0.032313 -0.069066 -0.001248 0.030012 -0.018970 0.005555 -0.101441 -0.028373 -0.003855 0.086011 0.084971 0.005691 -0.101466 -0.028349 -0.004019 0.085858 0.085189 0.005791 -0.056701 0.031312 -0.001665 0.013456 -0.018057 0.005554 -0.056845 0.031080 -0.001660 0.013242 -0.017753 0.003026 0.061269 -0.008567 0.004062 0.047311 -0.027664 -0.000911 0.065700 -0.007021 0.001406 0.049035 -0.028774 -0.008551 -0.048505 0.052539 -0.011957 -0.052346 0.055644 0.002938 -0.031804 -0.069933 -0.000390 0.030114 -0.020404 0.002922 -0.031840 -0.069853 -0.000349 0.030128 -0.020387 0.006375 -0.104493 -0.028969 -0.002705 0.088698 0.082075 0.006484 -0.104540 -0.028933 -0.002841 0.088575 0.082317 0.000522 -0.035485 0.025271 -0.001394 0.002368 -0.016907 0.002859 -0.038435 0.025788 -0.001379 0.002045 -0.016837 0.004212 0.054502 -0.005541 0.002350 0.033387 -0.011576 0.002506 0.058360 -0.004706 0.000928 0.032660 -0.011639 -0.010590 -0.037107 0.045959 -0.012450 -0.037131 0.044276 0.002879 -0.032331 -0.068331 -0.000423 0.029087 -0.019630 0.002872 -0.032369 -0.068277 -0.000391 0.029097 -0.019625 0.006250 -0.109476 -0.027074 -0.002424 0.090938 0.081040 0.006329 -0.109546 -0.027035 -0.002523 0.090849 0.081304 -0.002298 -0.014277 0.018808 -0.001749 -0.012586 -0.011980 -0.001743 -0.014217 0.017489 -0.001254 -0.014162 -0.011646 0.004398 0.047014 0.005165 0.002605 0.018221 0.013268 0.008440 0.047870 0.004473 0.004221 0.014698 0.016059 -0.011969 -0.014241 0.009581 -0.013220 -0.014569 0.006411 0.002115 -0.030337 -0.065007 -0.001122 0.030119 -0.018405 0.002140 -0.030361 -0.064968 -0.001111 0.030120 -0.018416 0.005333 -0.116325 -0.023988 -0.002471 0.098485 0.078304 0.005349 -0.116448 -0.023934 -0.002493 0.098467 0.078619 -0.004051 0.025108 0.012767 -0.002057 -0.038715 -0.008730 -0.001435 0.025681 0.010641 -0.001983 -0.039450 -0.009633 -0.000648 0.036210 0.019488 -0.001618 -0.013479 0.065147 0.014091 0.031301 0.018278 0.002793 -0.024834 0.072533 -0.004439 0.015772 -0.058410 -0.008394 0.018685 -0.064284 0.003569 -0.031032 -0.065216 0.000297 0.029965 -0.017372 0.003574 -0.031065 -0.065178 0.000319 0.029972 -0.017379 0.006898 -0.111999 -0.024032 -0.001416 0.094644 0.081528 0.006950 -0.112092 -0.023983 -0.001481 0.094584 0.081815 -0.003972 0.000646 0.018700 -0.000152 -0.025860 -0.007604 -0.001969 0.000926 0.017566 -0.000955 -0.025593 -0.007342 0.004090 0.041093 0.010434 0.000068 0.006066 0.036620 0.010753 0.042113 0.010644 0.001958 -0.000880 0.040006 -0.013883 -0.000421 -0.032439 -0.014647 -0.001067 -0.036767 0.002802 -0.031428 -0.064562 -0.000470 0.029530 -0.017220 0.002783 -0.031458 -0.064532 -0.000440 0.029546 -0.017259 0.006165 -0.115143 -0.025576 -0.002376 0.095465 0.085004 0.006185 -0.115275 -0.025353 -0.002359 0.095388 0.085126 -0.001459 0.000187 0.017438 -0.003174 -0.018636 -0.002701 -0.001200 -0.000278 0.017458 -0.002626 -0.020043 -0.002472 0.002905 0.008754 -0.004115 0.000562 0.020936 0.026556 0.001455 0.007384 -0.005382 0.003018 0.020831 0.027748 -0.005427 0.012863 -0.014527 -0.006343 0.011376 -0.015629 0.001650 -0.030712 -0.063223 -0.001615 0.030208 -0.016239 0.001615 -0.030740 -0.063202 -0.001582 0.030232 -0.016299 0.005051 -0.116489 -0.026080 -0.003669 0.097097 0.088324 0.005048 -0.116654 -0.025730 -0.003591 0.097009 0.088324 -0.001818 0.000564 0.017040 -0.005619 -0.012039 0.001352 -0.002029 -0.000474 0.018520 -0.004970 -0.012012 0.000815 0.004776 -0.017066 -0.016748 -0.001675 0.036643 0.019259 -0.002266 -0.020927 -0.017961 0.001330 0.040440 0.018600 0.005178 0.013503 -0.004061 0.004187 0.011417 -0.002692 0.001540 -0.031173 -0.063103 -0.001718 0.029899 -0.016546 0.001519 -0.031219 -0.063074 -0.001649 0.029915 -0.016615 0.004616 -0.118979 -0.026381 -0.004053 0.097359 0.093810 0.004691 -0.119079 -0.026139 -0.004049 0.097213 0.093741 -0.001157 -0.004459 0.002756 -0.006750 -0.004620 0.006030 -0.001825 -0.005317 0.003515 -0.006322 -0.004316 0.005954 0.000783 -0.003746 -0.009290 0.000966 0.016885 0.020664 -0.001397 -0.003728 -0.008835 0.000794 0.019092 0.020634 0.005593 0.020632 -0.010260 0.008417 0.015642 -0.006859 0.002902 -0.030675 -0.063114 -0.000355 0.030618 -0.017180 0.002886 -0.030746 -0.063066 -0.000236 0.030630 -0.017245 0.005486 -0.121482 -0.027126 -0.003138 0.098945 0.101861 0.005684 -0.121501 -0.027044 -0.003232 0.098715 0.101687 0.000507 -0.009529 -0.021153 -0.001726 0.013968 0.014932 -0.000938 -0.010074 -0.021849 -0.002761 0.014029 0.015378 -0.010808 0.018616 0.010653 -0.002143 -0.025655 0.013536 -0.005372 0.021468 0.012929 -0.006734 -0.029163 0.015349 0.004805 0.026492 -0.009306 0.015172 0.025342 -0.019242 0.002589 -0.030878 -0.063108 -0.000667 0.030325 -0.016945 0.002572 -0.030940 -0.063071 -0.000568 0.030338 -0.017012 0.005382 -0.120442 -0.026800 -0.003266 0.098304 0.098565 0.005529 -0.120497 -0.026653 -0.003315 0.098108 0.098436 -0.000162 -0.006957 -0.014988 -0.002746 0.006067 0.010955 -0.001310 -0.007627 -0.015096 -0.003287 0.006168 0.012040 -0.010370 0.009031 0.004919 -0.000869 -0.006058 0.015115 -0.005682 0.010331 0.007765 -0.003027 -0.007744 0.015550 0.004217 0.021472 -0.005588 0.014981 0.021000 -0.014082 0.002363 -0.030631 -0.063679 -0.000891 0.030598 -0.017445 0.002295 -0.030655 -0.063674 -0.000846 0.030632 -0.017550 0.004724 -0.119886 -0.025222 -0.003617 0.097298 0.099805 0.004691 -0.119812 -0.025130 -0.003789 0.097207 0.099752 -0.001882 -0.008212 -0.014212 -0.001396 0.008242 0.012501 -0.002514 -0.008776 -0.013666 -0.001358 0.008450 0.012816 0.005388 0.000634 -0.002197 -0.001594 -0.000513 0.001272 -0.001551 0.004337 -0.000004 -0.004029 0.001759 0.000242 0.004766 0.022606 0.004195 -0.000760 0.016722 0.012194 0.003001 -0.030492 -0.065001 -0.000261 0.030748 -0.018693 0.002898 -0.030495 -0.064999 -0.000249 0.030796 -0.018812 0.005084 -0.119539 -0.025151 -0.003065 0.096626 0.099643 0.004932 -0.119384 -0.025112 -0.003314 0.096604 0.099643 -0.001803 -0.008027 -0.014091 0.000230 0.010732 0.013139 -0.002094 -0.008489 -0.013125 0.000103 0.010720 0.013429 0.009944 -0.002084 -0.006724 -0.001406 0.002530 -0.007627 0.000046 0.002144 -0.005376 -0.004560 0.009280 -0.010852 0.002717 0.012310 0.015870 -0.012203 0.016018 0.033841 0.002191 -0.030485 -0.064368 -0.001049 0.030600 -0.017843 0.002135 -0.030487 -0.064346 -0.001045 0.030622 -0.017911 0.003899 -0.118151 -0.020037 -0.003940 0.094531 0.099790 0.003567 -0.117913 -0.020115 -0.004231 0.094633 0.099873 -0.003598 -0.002116 -0.011633 -0.000089 0.003647 0.008951 -0.003572 -0.000879 -0.013432 0.001114 0.002925 0.008278 0.002319 0.007923 -0.000098 -0.002924 0.008018 -0.010291 0.006599 0.007870 0.000484 -0.003027 0.004680 -0.009107 0.004182 0.006880 0.015151 -0.002531 0.007701 0.016654 0.002105 -0.030718 -0.064314 -0.001133 0.030329 -0.017752 0.002065 -0.030720 -0.064287 -0.001131 0.030342 -0.017809 0.003718 -0.118057 -0.018896 -0.004043 0.093787 0.099725 0.003344 -0.117799 -0.018999 -0.004343 0.093918 0.099828 -0.004830 -0.000435 -0.011333 0.000983 0.001973 0.008611 -0.003651 0.000050 -0.013344 0.000817 0.001397 0.008188 0.000976 0.010519 0.000684 -0.003721 0.008446 -0.010520 0.007753 0.009707 0.001191 -0.003262 0.003261 -0.008630 0.004189 0.008323 0.015539 0.000165 0.005676 0.012119 0.002368 -0.030196 -0.064978 -0.000857 0.030766 -0.018349 0.002347 -0.030199 -0.064944 -0.000861 0.030769 -0.018380 0.003795 -0.116884 -0.017367 -0.003818 0.093300 0.098881 0.003336 -0.116586 -0.017538 -0.004136 0.093490 0.099027 -0.004079 0.002373 -0.007224 0.000949 0.000086 0.007627 -0.001026 0.004394 -0.013376 0.000802 -0.000714 0.006926 -0.000968 0.015292 0.002349 -0.002874 0.012219 -0.012075 0.011665 0.011892 0.002119 -0.001223 0.002995 -0.008656 -0.004546 -0.001804 0.015846 -0.000873 -0.001193 0.010112 0.002857 -0.030595 -0.066978 -0.000358 0.030194 -0.020222 0.002883 -0.030597 -0.066937 -0.000371 0.030170 -0.020206 0.003916 -0.115989 -0.015032 -0.003402 0.090878 0.096449 0.003286 -0.115623 -0.015320 -0.003759 0.091186 0.096677 -0.002174 0.015052 -0.001217 0.002709 -0.004232 0.003435 0.001851 0.016991 -0.008653 0.004296 -0.007481 -0.000076 -0.011214 0.021693 0.005501 -0.005369 0.015106 -0.014716 0.020457 0.016388 0.002092 -0.001422 -0.001914 -0.008333 -0.011814 -0.015961 0.025702 -0.002371 -0.005267 0.007834 0.002781 -0.030420 -0.065757 -0.000436 0.030473 -0.019087 0.002781 -0.030422 -0.065721 -0.000444 0.030464 -0.019097 0.004048 -0.116551 -0.016257 -0.003435 0.092211 0.097940 0.003516 -0.116221 -0.016480 -0.003770 0.092451 0.098122 -0.003884 0.007327 -0.004037 0.001886 -0.002091 0.005029 -0.000237 0.009492 -0.009641 0.001737 -0.003080 0.004097 -0.008794 0.016685 0.002787 -0.003131 0.015262 -0.012168 0.015170 0.013380 0.001627 -0.000687 -0.000619 -0.007087 -0.004548 -0.004463 0.018556 -0.002553 -0.003876 0.007174 0.001832 -0.030963 -0.066721 -0.001460 0.029727 -0.019632 0.001742 -0.030970 -0.066720 -0.001441 0.029757 -0.019758 0.002893 -0.115345 -0.015646 -0.004838 0.089837 0.096834 0.002522 -0.115341 -0.015416 -0.004659 0.089971 0.096664 0.002948 0.008269 -0.001132 0.001012 -0.001014 0.001584 -0.000128 0.009364 0.003419 0.002006 -0.001335 -0.000236 0.003732 0.013626 0.002266 -0.005615 -0.002575 -0.004945 -0.010811 0.011881 0.000746 -0.002133 0.009022 -0.007681 0.010672 0.003099 0.003305 0.001726 0.002988 0.013071 0.001868 -0.031009 -0.066886 -0.001429 0.029661 -0.019752 0.001776 -0.031017 -0.066887 -0.001407 0.029691 -0.019890 0.002909 -0.115181 -0.015614 -0.004855 0.089573 0.096660 0.002557 -0.115216 -0.015328 -0.004612 0.089695 0.096448 0.003153 0.008403 -0.001373 0.000981 -0.001054 0.001119 -0.000244 0.009250 0.004094 0.002000 -0.001253 -0.000656 0.006707 0.013799 0.002533 -0.006466 -0.004606 -0.004830 -0.012722 0.012296 0.000767 -0.002714 0.008762 -0.006970 0.010809 0.004166 0.002679 0.001688 0.004039 0.013885 0.001692 -0.030768 -0.066816 -0.001624 0.029855 -0.019576 0.001575 -0.030775 -0.066830 -0.001596 0.029896 -0.019740 0.002689 -0.114567 -0.015259 -0.005130 0.089420 0.096653 0.002373 -0.114670 -0.014878 -0.004776 0.089519 0.096367 0.004005 0.008061 -0.001437 0.001592 -0.001089 -0.000268 0.000209 0.011313 0.006470 0.003396 -0.003400 -0.002631 0.008992 0.013827 0.004284 -0.006622 -0.006350 -0.003205 -0.016250 0.011264 0.001154 -0.003066 0.010776 -0.007694 0.006877 0.001701 0.001769 0.005665 0.005986 0.011637 0.001375 -0.030407 -0.066958 -0.001975 0.030127 -0.019527 0.001220 -0.030416 -0.066982 -0.001936 0.030184 -0.019741 0.002281 -0.113437 -0.014722 -0.005649 0.088969 0.096431 0.002039 -0.113682 -0.014135 -0.005066 0.089020 0.095991 0.005050 0.011033 -0.001079 0.002661 -0.003304 -0.002944 0.000755 0.007951 0.010160 0.004646 -0.003921 -0.004993 0.017401 0.012163 0.003048 -0.007779 -0.012178 -0.000498 -0.027229 0.011840 0.002313 -0.004646 0.014232 -0.007520 0.006962 0.005539 -0.001099 0.009891 0.006285 0.012254 0.001671 -0.029701 -0.066894 -0.001676 0.030715 -0.019319 0.001539 -0.029712 -0.066926 -0.001638 0.030761 -0.019496 0.002555 -0.111943 -0.014079 -0.005339 0.088723 0.096741 0.002558 -0.112107 -0.013667 -0.004903 0.088695 0.096284 0.005107 0.007358 0.003237 0.003494 -0.001260 -0.004779 0.000554 0.006089 0.011529 0.004556 -0.000981 -0.005232 0.012915 0.010399 0.001092 -0.005799 -0.009327 0.000890 -0.021285 0.010891 0.002218 -0.004875 0.014480 -0.005852 0.003570 -0.001693 -0.008413 0.006995 0.008614 0.012667 0.002206 -0.028537 -0.066238 -0.001135 0.031566 -0.018236 0.002140 -0.028552 -0.066326 -0.001096 0.031587 -0.018322 0.003058 -0.108746 -0.012080 -0.004763 0.087456 0.097946 0.003667 -0.108718 -0.012122 -0.004703 0.087227 0.097453 0.007787 0.005141 0.011809 0.005105 0.004012 -0.010206 0.002307 0.004781 0.014220 0.005566 0.006368 -0.008578 0.003790 -0.000276 0.001332 0.000149 0.002566 0.007177 -0.007288 0.003292 0.002313 -0.007547 0.012184 -0.000190 -0.001220 0.001349 -0.011260 -0.008023 -0.002700 -0.008695 0.002192 -0.028621 -0.066194 -0.001151 0.031563 -0.018299 0.002111 -0.028634 -0.066272 -0.001112 0.031590 -0.018409 0.003051 -0.109342 -0.012349 -0.004786 0.087982 0.097865 0.003504 -0.109364 -0.012276 -0.004632 0.087803 0.097381 0.006426 0.005903 0.010274 0.006368 0.003349 -0.009392 0.001588 0.005899 0.013610 0.005803 0.004855 -0.008291 0.006143 0.004153 0.001243 -0.001677 0.000488 0.006172 -0.013302 0.006839 0.001493 -0.006798 0.012043 -0.001755 -0.001767 -0.002786 -0.013232 -0.001962 -0.003720 -0.001570 0.002286 -0.028604 -0.066377 -0.001004 0.031587 -0.018637 0.002260 -0.028611 -0.066434 -0.000990 0.031595 -0.018686 0.003527 -0.110009 -0.013165 -0.004481 0.088799 0.098112 0.003816 -0.109909 -0.013231 -0.004557 0.088719 0.097962 0.005382 0.003958 0.009921 0.002587 0.004887 -0.006578 0.002007 0.006829 0.009911 0.000853 0.006066 -0.005326 -0.003449 0.002778 -0.000695 -0.002587 0.006952 0.002099 0.001374 0.002800 0.001688 -0.006455 0.006214 0.000296 0.001518 -0.002325 -0.006126 -0.002087 -0.001725 -0.004733 0.002138 -0.028759 -0.066364 -0.001092 0.031444 -0.018825 0.002183 -0.028759 -0.066389 -0.001108 0.031423 -0.018792 0.003779 -0.110912 -0.013748 -0.004418 0.089480 0.098612 0.003886 -0.110678 -0.013980 -0.004731 0.089509 0.098821 0.002916 0.002816 0.007940 -0.002085 0.007549 -0.003861 0.004130 0.003680 0.002677 -0.002570 0.007194 -0.003678 -0.011743 0.000869 -0.001731 -0.003640 0.013479 -0.000729 0.010147 0.000366 0.000743 -0.003332 -0.002069 0.005185 0.002209 0.004029 0.002195 0.003330 -0.000660 -0.008075 0.002745 -0.029378 -0.066622 -0.000502 0.030807 -0.019291 0.002754 -0.029374 -0.066647 -0.000524 0.030803 -0.019323 0.004533 -0.112286 -0.014662 -0.003775 0.090107 0.098715 0.004503 -0.112169 -0.014670 -0.003920 0.090214 0.099094 0.001244 0.002740 0.001758 -0.001690 0.008955 -0.000335 0.003124 0.002815 -0.000749 -0.001986 0.008122 -0.000372 -0.004801 0.001382 -0.001332 -0.002238 0.007146 0.001713 0.005918 0.001011 -0.000162 -0.000326 -0.000089 0.005160 0.000641 0.003606 0.003891 -0.005698 0.005586 -0.006167 0.003211 -0.029377 -0.066263 -0.000059 0.030785 -0.019185 0.003173 -0.029369 -0.066277 -0.000087 0.030802 -0.019296 0.005180 -0.113210 -0.015096 -0.003268 0.091629 0.099515 0.004983 -0.113236 -0.014830 -0.003210 0.091831 0.100096 -0.004340 0.005959 -0.006696 -0.002283 0.008526 0.002731 0.000984 0.004821 -0.005728 -0.002344 0.007107 0.002414 0.003639 0.003874 -0.000541 -0.001193 -0.004086 0.003906 -0.000116 0.000615 -0.001981 0.002198 0.000883 0.005475 0.000835 0.006882 0.000924 -0.007304 0.005564 0.000831</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <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="1.22098"
                           xFract="0.13524729"
                           y3="0.7203"
                           yFract="0.13918631"
                           z3="6.2125"
                           zFract="0.24976815"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71435"
                           xFract="0.13960379"
                           y3="3.27459"
                           yFract="0.63276148"
                           z3="6.33206"
                           zFract="0.24722196"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20489"
                           xFract="0.63519335"
                           y3="0.7205"
                           yFract="0.13922495"
                           z3="6.39532"
                           zFract="0.24977634"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69849"
                           xFract="0.63959898"
                           y3="3.27468"
                           yFract="0.63277887"
                           z3="6.51461"
                           zFract="0.24721871"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56737"
                           xFract="0.30108968"
                           y3="1.34105"
                           yFract="0.25913619"
                           z3="8.82157"
                           zFract="0.35211819"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06785"
                           xFract="0.28015966"
                           y3="4.17042"
                           yFract="0.80586611"
                           z3="8.82247"
                           zFract="0.3443072"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55142"
                           xFract="0.80104861"
                           y3="1.34136"
                           yFract="0.25919609"
                           z3="9.00306"
                           zFract="0.35207152"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05212"
                           xFract="0.78017374"
                           y3="4.17054"
                           yFract="0.8058893"
                           z3="9.00482"
                           zFract="0.34429541"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98922"
                           xFract="0.43555922"
                           y3="2.41909"
                           yFract="0.46744996"
                           z3="10.06756"
                           zFract="0.39791746"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97286"
                           xFract="0.93551491"
                           y3="2.41872"
                           yFract="0.46737846"
                           z3="10.24977"
                           zFract="0.39790223"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </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="1.22097"
                           xFract="0.13524272"
                           y3="0.72033"
                           yFract="0.1391921"
                           z3="6.21235"
                           zFract="0.249762"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71437"
                           xFract="0.13960714"
                           y3="3.27459"
                           yFract="0.63276148"
                           z3="6.33186"
                           zFract="0.24721374"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20489"
                           xFract="0.63519046"
                           y3="0.72053"
                           yFract="0.13923075"
                           z3="6.39515"
                           zFract="0.24976935"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.6985"
                           xFract="0.63960162"
                           y3="3.27467"
                           yFract="0.63277694"
                           z3="6.51441"
                           zFract="0.24721053"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56753"
                           xFract="0.30131092"
                           y3="1.33903"
                           yFract="0.25874586"
                           z3="8.81886"
                           zFract="0.35200997"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06786"
                           xFract="0.28009203"
                           y3="4.17114"
                           yFract="0.80600524"
                           z3="8.82141"
                           zFract="0.34426282"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55158"
                           xFract="0.80127178"
                           y3="1.33932"
                           yFract="0.2588019"
                           z3="9.00034"
                           zFract="0.35196293"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05212"
                           xFract="0.78010636"
                           y3="4.17124"
                           yFract="0.80602457"
                           z3="9.00378"
                           zFract="0.3442519"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98904"
                           xFract="0.43540104"
                           y3="2.42042"
                           yFract="0.46770696"
                           z3="10.07146"
                           zFract="0.39807536"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97264"
                           xFract="0.93534521"
                           y3="2.4201"
                           yFract="0.46764513"
                           z3="10.25364"
                           zFract="0.39805893"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </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="1.22095"
                           xFract="0.13522975"
                           y3="0.72043"
                           yFract="0.13921143"
                           z3="6.21188"
                           zFract="0.2497427"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71441"
                           xFract="0.13961577"
                           y3="3.27457"
                           yFract="0.63275761"
                           z3="6.33127"
                           zFract="0.24718956"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20487"
                           xFract="0.63517653"
                           y3="0.72064"
                           yFract="0.13925201"
                           z3="6.39466"
                           zFract="0.24974922"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69855"
                           xFract="0.63961192"
                           y3="3.27465"
                           yFract="0.63277307"
                           z3="6.51383"
                           zFract="0.24718673"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56803"
                           xFract="0.30198089"
                           y3="1.33294"
                           yFract="0.25756906"
                           z3="8.81072"
                           zFract="0.35168491"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06789"
                           xFract="0.27988722"
                           y3="4.17332"
                           yFract="0.80642649"
                           z3="8.81821"
                           zFract="0.34412883"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55207"
                           xFract="0.801942"
                           y3="1.33321"
                           yFract="0.25762124"
                           z3="8.99217"
                           zFract="0.35163669"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05212"
                           xFract="0.7799023"
                           y3="4.17336"
                           yFract="0.80643422"
                           z3="9.00064"
                           zFract="0.34412052"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9885"
                           xFract="0.43492554"
                           y3="2.42442"
                           yFract="0.4684799"
                           z3="10.08318"
                           zFract="0.39854984"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97198"
                           xFract="0.93483421"
                           y3="2.42426"
                           yFract="0.46844898"
                           z3="10.26527"
                           zFract="0.3985298"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </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="1.22091"
                           xFract="0.13520379"
                           y3="0.72063"
                           yFract="0.13925008"
                           z3="6.21094"
                           zFract="0.2497041"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71451"
                           xFract="0.13963638"
                           y3="3.27453"
                           yFract="0.63274988"
                           z3="6.3301"
                           zFract="0.24714156"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20484"
                           xFract="0.63515032"
                           y3="0.72086"
                           yFract="0.13929452"
                           z3="6.39366"
                           zFract="0.24970811"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69865"
                           xFract="0.63963157"
                           y3="3.27462"
                           yFract="0.63276727"
                           z3="6.51265"
                           zFract="0.24713831"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56902"
                           xFract="0.30331819"
                           y3="1.32077"
                           yFract="0.25521741"
                           z3="8.79445"
                           zFract="0.3510352"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06795"
                           xFract="0.2794776"
                           y3="4.17768"
                           yFract="0.80726899"
                           z3="8.81182"
                           zFract="0.34386125"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55306"
                           xFract="0.80328412"
                           y3="1.32099"
                           yFract="0.25525992"
                           z3="8.97584"
                           zFract="0.3509846"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05211"
                           xFract="0.77949443"
                           y3="4.17758"
                           yFract="0.80724967"
                           z3="8.99437"
                           zFract="0.34385822"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98742"
                           xFract="0.43397358"
                           y3="2.43243"
                           yFract="0.4700277"
                           z3="10.10662"
                           zFract="0.39949878"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97065"
                           xFract="0.93381148"
                           y3="2.43257"
                           yFract="0.47005475"
                           z3="10.28852"
                           zFract="0.39947117"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </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="1.22093"
                           xFract="0.1352187"
                           y3="0.72051"
                           yFract="0.13922689"
                           z3="6.21151"
                           zFract="0.24972751"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71445"
                           xFract="0.1396244"
                           y3="3.27455"
                           yFract="0.63275375"
                           z3="6.33081"
                           zFract="0.24717069"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20486"
                           xFract="0.63516619"
                           y3="0.72073"
                           yFract="0.1392694"
                           z3="6.39426"
                           zFract="0.24973277"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69859"
                           xFract="0.63961959"
                           y3="3.27464"
                           yFract="0.63277114"
                           z3="6.51336"
                           zFract="0.24716744"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56842"
                           xFract="0.30250922"
                           y3="1.32813"
                           yFract="0.25663961"
                           z3="8.80429"
                           zFract="0.35142814"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06791"
                           xFract="0.27972501"
                           y3="4.17504"
                           yFract="0.80675885"
                           z3="8.81568"
                           zFract="0.3440229"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55246"
                           xFract="0.80247226"
                           y3="1.32838"
                           yFract="0.25668792"
                           z3="8.98572"
                           zFract="0.35137914"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05212"
                           xFract="0.77974156"
                           y3="4.17503"
                           yFract="0.80675692"
                           z3="8.99816"
                           zFract="0.34401676"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98807"
                           xFract="0.43454836"
                           y3="2.42759"
                           yFract="0.46909245"
                           z3="10.09245"
                           zFract="0.39892513"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97145"
                           xFract="0.93442969"
                           y3="2.42754"
                           yFract="0.46908278"
                           z3="10.27446"
                           zFract="0.39890191"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </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="1.22097"
                           xFract="0.13521481"
                           y3="0.72062"
                           yFract="0.13924814"
                           z3="6.21011"
                           zFract="0.24967004"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71446"
                           xFract="0.13964147"
                           y3="3.27439"
                           yFract="0.63272283"
                           z3="6.33037"
                           zFract="0.24715292"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.2049"
                           xFract="0.6351623"
                           y3="0.72084"
                           yFract="0.13929065"
                           z3="6.39285"
                           zFract="0.24967489"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69861"
                           xFract="0.6396393"
                           y3="3.27447"
                           yFract="0.63273829"
                           z3="6.51292"
                           zFract="0.24714966"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56844"
                           xFract="0.30230178"
                           y3="1.33032"
                           yFract="0.25706279"
                           z3="8.80206"
                           zFract="0.35133379"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06775"
                           xFract="0.280089"
                           y3="4.17098"
                           yFract="0.80597433"
                           z3="8.81524"
                           zFract="0.3440112"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.5525"
                           xFract="0.80227875"
                           y3="1.33046"
                           yFract="0.25708984"
                           z3="8.98352"
                           zFract="0.35128613"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05195"
                           xFract="0.78010387"
                           y3="4.17097"
                           yFract="0.80597239"
                           z3="8.99771"
                           zFract="0.34400467"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98819"
                           xFract="0.43433938"
                           y3="2.42997"
                           yFract="0.46955234"
                           z3="10.09664"
                           zFract="0.3990926"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97168"
                           xFract="0.93423625"
                           y3="2.42995"
                           yFract="0.46954848"
                           z3="10.27868"
                           zFract="0.39907029"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </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="1.22109"
                           xFract="0.13520315"
                           y3="0.72095"
                           yFract="0.13931191"
                           z3="6.20592"
                           zFract="0.24949805"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.7145"
                           xFract="0.1396963"
                           y3="3.27389"
                           yFract="0.63262621"
                           z3="6.32906"
                           zFract="0.24710001"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20501"
                           xFract="0.63514897"
                           y3="0.72117"
                           yFract="0.13935442"
                           z3="6.38861"
                           zFract="0.24950088"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69866"
                           xFract="0.63969484"
                           y3="3.27398"
                           yFract="0.6326436"
                           z3="6.5116"
                           zFract="0.2470963"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56849"
                           xFract="0.30167872"
                           y3="1.33688"
                           yFract="0.25833041"
                           z3="8.79537"
                           zFract="0.3510508"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06724"
                           xFract="0.2811769"
                           y3="4.15879"
                           yFract="0.80361881"
                           z3="8.81389"
                           zFract="0.34397495"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55262"
                           xFract="0.80169919"
                           y3="1.33669"
                           yFract="0.25829369"
                           z3="8.97694"
                           zFract="0.35100793"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05143"
                           xFract="0.78118816"
                           y3="4.1588"
                           yFract="0.80362074"
                           z3="8.99635"
                           zFract="0.34396801"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98852"
                           xFract="0.43370837"
                           y3="2.4371"
                           yFract="0.4709301"
                           z3="10.10921"
                           zFract="0.39959511"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97236"
                           xFract="0.93365426"
                           y3="2.43718"
                           yFract="0.47094556"
                           z3="10.29135"
                           zFract="0.39957587"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <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="1.22133"
                           xFract="0.13517984"
                           y3="0.72161"
                           yFract="0.13943944"
                           z3="6.19754"
                           zFract="0.24915406"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71457"
                           xFract="0.13980332"
                           y3="3.2729"
                           yFract="0.63243491"
                           z3="6.32644"
                           zFract="0.24699421"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20525"
                           xFract="0.63512662"
                           y3="0.72182"
                           yFract="0.13948002"
                           z3="6.38014"
                           zFract="0.24915322"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69876"
                           xFract="0.63980786"
                           y3="3.27298"
                           yFract="0.63245037"
                           z3="6.50895"
                           zFract="0.24698921"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56859"
                           xFract="0.30043165"
                           y3="1.35001"
                           yFract="0.26086757"
                           z3="8.78199"
                           zFract="0.35048479"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06622"
                           xFract="0.28335365"
                           y3="4.1344"
                           yFract="0.79890583"
                           z3="8.81119"
                           zFract="0.34390248"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55286"
                           xFract="0.80054006"
                           y3="1.34915"
                           yFract="0.26070138"
                           z3="8.96377"
                           zFract="0.35045112"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05041"
                           xFract="0.78336107"
                           y3="4.13445"
                           yFract="0.79891549"
                           z3="8.99364"
                           zFract="0.34389507"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9892"
                           xFract="0.43244875"
                           y3="2.45137"
                           yFract="0.47368755"
                           z3="10.13434"
                           zFract="0.40059965"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97373"
                           xFract="0.93249196"
                           y3="2.45164"
                           yFract="0.47373972"
                           z3="10.31669"
                           zFract="0.40058699"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <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="1.22117"
                           xFract="0.13519538"
                           y3="0.72117"
                           yFract="0.13935442"
                           z3="6.20309"
                           zFract="0.24938189"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71453"
                           xFract="0.13973406"
                           y3="3.27355"
                           yFract="0.63256051"
                           z3="6.32817"
                           zFract="0.24706406"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20509"
                           xFract="0.6351412"
                           y3="0.72139"
                           yFract="0.13939693"
                           z3="6.38575"
                           zFract="0.24938349"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69869"
                           xFract="0.6397326"
                           y3="3.27364"
                           yFract="0.63257791"
                           z3="6.5107"
                           zFract="0.24705994"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56852"
                           xFract="0.30125734"
                           y3="1.34131"
                           yFract="0.25918643"
                           z3="8.79085"
                           zFract="0.35085961"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06689"
                           xFract="0.28191043"
                           y3="4.15056"
                           yFract="0.80202849"
                           z3="8.81298"
                           zFract="0.34395056"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.5527"
                           xFract="0.80130832"
                           y3="1.34089"
                           yFract="0.25910527"
                           z3="8.97249"
                           zFract="0.35081981"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05109"
                           xFract="0.78192241"
                           y3="4.15058"
                           yFract="0.80203236"
                           z3="8.99543"
                           zFract="0.34394317"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98875"
                           xFract="0.43328296"
                           y3="2.44192"
                           yFract="0.47186149"
                           z3="10.11769"
                           zFract="0.39993408"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97282"
                           xFract="0.93326161"
                           y3="2.44206"
                           yFract="0.47188854"
                           z3="10.2999"
                           zFract="0.39991704"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <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="1.22142"
                           xFract="0.13545192"
                           y3="0.71894"
                           yFract="0.13892351"
                           z3="6.20381"
                           zFract="0.24941391"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71446"
                           xFract="0.13967613"
                           y3="3.27403"
                           yFract="0.63265327"
                           z3="6.32728"
                           zFract="0.24702717"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20533"
                           xFract="0.63539702"
                           y3="0.71915"
                           yFract="0.13896409"
                           z3="6.38646"
                           zFract="0.24941515"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69863"
                           xFract="0.6396773"
                           y3="3.27411"
                           yFract="0.63266872"
                           z3="6.50982"
                           zFract="0.24702345"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56865"
                           xFract="0.30096148"
                           y3="1.34461"
                           yFract="0.2598241"
                           z3="8.78965"
                           zFract="0.35080547"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06699"
                           xFract="0.28189542"
                           y3="4.15089"
                           yFract="0.80209226"
                           z3="8.8117"
                           zFract="0.34389752"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55268"
                           xFract="0.80097385"
                           y3="1.34433"
                           yFract="0.25977"
                           z3="8.97137"
                           zFract="0.35076911"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05108"
                           xFract="0.78188127"
                           y3="4.15099"
                           yFract="0.80211158"
                           z3="8.9941"
                           zFract="0.34388825"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98845"
                           xFract="0.4333328"
                           y3="2.44088"
                           yFract="0.47166052"
                           z3="10.12141"
                           zFract="0.40008835"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97243"
                           xFract="0.93330985"
                           y3="2.44088"
                           yFract="0.47166052"
                           z3="10.30376"
                           zFract="0.40007745"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <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="1.22173"
                           xFract="0.13577626"
                           y3="0.71611"
                           yFract="0.13837666"
                           z3="6.20472"
                           zFract="0.24945442"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71438"
                           xFract="0.13960497"
                           y3="3.27463"
                           yFract="0.63276921"
                           z3="6.32615"
                           zFract="0.24698033"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20563"
                           xFract="0.63572065"
                           y3="0.71631"
                           yFract="0.13841531"
                           z3="6.38735"
                           zFract="0.24945488"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69855"
                           xFract="0.63960711"
                           y3="3.2747"
                           yFract="0.63278273"
                           z3="6.5087"
                           zFract="0.24697703"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56882"
                           xFract="0.30058762"
                           y3="1.34879"
                           yFract="0.26063182"
                           z3="8.78813"
                           zFract="0.35073688"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06712"
                           xFract="0.28187581"
                           y3="4.15132"
                           yFract="0.80217535"
                           z3="8.81007"
                           zFract="0.34382997"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55265"
                           xFract="0.80055012"
                           y3="1.34868"
                           yFract="0.26061056"
                           z3="8.96995"
                           zFract="0.35070486"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05107"
                           xFract="0.78182954"
                           y3="4.15151"
                           yFract="0.80221206"
                           z3="8.99242"
                           zFract="0.34381887"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98807"
                           xFract="0.43339523"
                           y3="2.43957"
                           yFract="0.47140739"
                           z3="10.12612"
                           zFract="0.40028366"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97193"
                           xFract="0.93336949"
                           y3="2.43939"
                           yFract="0.47137261"
                           z3="10.30864"
                           zFract="0.40028027"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <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="1.22236"
                           xFract="0.13642662"
                           y3="0.71045"
                           yFract="0.13728295"
                           z3="6.20655"
                           zFract="0.24953581"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71423"
                           xFract="0.13946337"
                           y3="3.27584"
                           yFract="0.63300302"
                           z3="6.32389"
                           zFract="0.2468866"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20624"
                           xFract="0.63636959"
                           y3="0.71063"
                           yFract="0.13731774"
                           z3="6.38914"
                           zFract="0.24953472"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.6984"
                           xFract="0.63946743"
                           y3="3.27589"
                           yFract="0.63301268"
                           z3="6.50647"
                           zFract="0.24688456"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56914"
                           xFract="0.29983558"
                           y3="1.35716"
                           yFract="0.26224919"
                           z3="8.78509"
                           zFract="0.35059974"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06736"
                           xFract="0.28183325"
                           y3="4.15218"
                           yFract="0.80234153"
                           z3="8.80682"
                           zFract="0.34369532"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.5526"
                           xFract="0.79970336"
                           y3="1.35739"
                           yFract="0.26229363"
                           z3="8.9671"
                           zFract="0.35057592"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05105"
                           xFract="0.78172609"
                           y3="4.15255"
                           yFract="0.80241303"
                           z3="8.98905"
                           zFract="0.34367971"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98731"
                           xFract="0.43352007"
                           y3="2.43695"
                           yFract="0.47090111"
                           z3="10.13554"
                           zFract="0.40067429"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97094"
                           xFract="0.93349045"
                           y3="2.43641"
                           yFract="0.47079677"
                           z3="10.31842"
                           zFract="0.40068671"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <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="1.22201"
                           xFract="0.136059"
                           y3="0.71366"
                           yFract="0.13790324"
                           z3="6.20551"
                           zFract="0.24948955"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71432"
                           xFract="0.1395439"
                           y3="3.27516"
                           yFract="0.63287162"
                           z3="6.32517"
                           zFract="0.24693966"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20589"
                           xFract="0.636001"
                           y3="0.71385"
                           yFract="0.13793995"
                           z3="6.38812"
                           zFract="0.24948925"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69849"
                           xFract="0.639547"
                           y3="3.27522"
                           yFract="0.63288321"
                           z3="6.50774"
                           zFract="0.2469372"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56896"
                           xFract="0.30026167"
                           y3="1.35242"
                           yFract="0.26133326"
                           z3="8.78681"
                           zFract="0.35067734"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06722"
                           xFract="0.28185599"
                           y3="4.1517"
                           yFract="0.80224878"
                           z3="8.80866"
                           zFract="0.34377155"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55263"
                           xFract="0.80018388"
                           y3="1.35245"
                           yFract="0.26133906"
                           z3="8.96871"
                           zFract="0.35064879"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05106"
                           xFract="0.78178455"
                           y3="4.15196"
                           yFract="0.80229902"
                           z3="8.99096"
                           zFract="0.34375859"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98774"
                           xFract="0.4334487"
                           y3="2.43844"
                           yFract="0.47118903"
                           z3="10.1302"
                           zFract="0.40045284"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.9715"
                           xFract="0.93342161"
                           y3="2.4381"
                           yFract="0.47112333"
                           z3="10.31288"
                           zFract="0.40045648"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <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="1.22189"
                           xFract="0.13613804"
                           y3="0.71263"
                           yFract="0.1377042"
                           z3="6.20696"
                           zFract="0.24955059"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71428"
                           xFract="0.13966329"
                           y3="3.27385"
                           yFract="0.63261848"
                           z3="6.3243"
                           zFract="0.24690611"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20589"
                           xFract="0.63609822"
                           y3="0.71284"
                           yFract="0.13774478"
                           z3="6.3895"
                           zFract="0.2495471"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.6984"
                           xFract="0.63965609"
                           y3="3.27393"
                           yFract="0.63263394"
                           z3="6.50688"
                           zFract="0.24690415"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56926"
                           xFract="0.29992788"
                           y3="1.35641"
                           yFract="0.26210426"
                           z3="8.78686"
                           zFract="0.35067286"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06727"
                           xFract="0.28181432"
                           y3="4.15222"
                           yFract="0.80234926"
                           z3="8.81022"
                           zFract="0.34383442"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55326"
                           xFract="0.79989287"
                           y3="1.35657"
                           yFract="0.26213518"
                           z3="8.96881"
                           zFract="0.35064533"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05117"
                           xFract="0.78178951"
                           y3="4.1521"
                           yFract="0.80232607"
                           z3="8.9927"
                           zFract="0.34382921"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98678"
                           xFract="0.4333379"
                           y3="2.43792"
                           yFract="0.47108855"
                           z3="10.13005"
                           zFract="0.40044987"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97045"
                           xFract="0.93330536"
                           y3="2.43748"
                           yFract="0.47100353"
                           z3="10.31253"
                           zFract="0.4004457"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <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="1.2218"
                           xFract="0.13619611"
                           y3="0.71187"
                           yFract="0.13755735"
                           z3="6.20805"
                           zFract="0.24959646"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71425"
                           xFract="0.13975163"
                           y3="3.27288"
                           yFract="0.63243105"
                           z3="6.32364"
                           zFract="0.24688062"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20589"
                           xFract="0.63617137"
                           y3="0.71208"
                           yFract="0.13759793"
                           z3="6.39053"
                           zFract="0.24959029"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69834"
                           xFract="0.63973941"
                           y3="3.27296"
                           yFract="0.63244651"
                           z3="6.50624"
                           zFract="0.24687955"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56949"
                           xFract="0.29967765"
                           y3="1.35941"
                           yFract="0.26268396"
                           z3="8.7869"
                           zFract="0.35066957"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06731"
                           xFract="0.28178348"
                           y3="4.15261"
                           yFract="0.80242462"
                           z3="8.81139"
                           zFract="0.34388156"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55373"
                           xFract="0.79967323"
                           y3="1.35967"
                           yFract="0.2627342"
                           z3="8.96888"
                           zFract="0.35064253"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05126"
                           xFract="0.781794"
                           y3="4.15221"
                           yFract="0.80234733"
                           z3="8.9940"
                           zFract="0.34388195"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98606"
                           xFract="0.4332548"
                           y3="2.43753"
                           yFract="0.47101319"
                           z3="10.12993"
                           zFract="0.40044733"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.96966"
                           xFract="0.93321823"
                           y3="2.43701"
                           yFract="0.47091271"
                           z3="10.31228"
                           zFract="0.40043814"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <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="1.22162"
                           xFract="0.13621504"
                           y3="0.71136"
                           yFract="0.1374588"
                           z3="6.20997"
                           zFract="0.2496761"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71385"
                           xFract="0.13982996"
                           y3="3.27137"
                           yFract="0.63213926"
                           z3="6.32327"
                           zFract="0.24686868"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20575"
                           xFract="0.63620182"
                           y3="0.71152"
                           yFract="0.13748972"
                           z3="6.39252"
                           zFract="0.24967277"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69796"
                           xFract="0.63982012"
                           y3="3.27146"
                           yFract="0.63215666"
                           z3="6.50585"
                           zFract="0.24686673"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56997"
                           xFract="0.29966567"
                           y3="1.36037"
                           yFract="0.26286947"
                           z3="8.78578"
                           zFract="0.35062122"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06722"
                           xFract="0.28150274"
                           y3="4.15537"
                           yFract="0.80295795"
                           z3="8.81352"
                           zFract="0.34396483"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.5539"
                           xFract="0.79962856"
                           y3="1.36043"
                           yFract="0.26288106"
                           z3="8.96771"
                           zFract="0.3505932"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05141"
                           xFract="0.78154673"
                           y3="4.15504"
                           yFract="0.80289418"
                           z3="8.99618"
                           zFract="0.34396656"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9859"
                           xFract="0.43316543"
                           y3="2.43818"
                           yFract="0.47113879"
                           z3="10.12958"
                           zFract="0.40043249"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.96939"
                           xFract="0.93312968"
                           y3="2.43746"
                           yFract="0.47099966"
                           z3="10.31191"
                           zFract="0.40042304"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <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="1.22133"
                           xFract="0.1362396"
                           y3="0.7106"
                           yFract="0.13731194"
                           z3="6.21289"
                           zFract="0.24979725"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71324"
                           xFract="0.13994721"
                           y3="3.26909"
                           yFract="0.63169869"
                           z3="6.32271"
                           zFract="0.24685063"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20554"
                           xFract="0.63624941"
                           y3="0.71066"
                           yFract="0.13732353"
                           z3="6.39552"
                           zFract="0.24979713"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69738"
                           xFract="0.6399424"
                           y3="3.26918"
                           yFract="0.63171608"
                           z3="6.50525"
                           zFract="0.24684697"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.57071"
                           xFract="0.29965009"
                           y3="1.36182"
                           yFract="0.26314966"
                           z3="8.7841"
                           zFract="0.35054862"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06709"
                           xFract="0.28107765"
                           y3="4.15956"
                           yFract="0.8037676"
                           z3="8.81675"
                           zFract="0.34409108"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55417"
                           xFract="0.79956311"
                           y3="1.36158"
                           yFract="0.26310328"
                           z3="8.96594"
                           zFract="0.35051853"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05163"
                           xFract="0.78117259"
                           y3="4.15931"
                           yFract="0.80371929"
                           z3="8.99949"
                           zFract="0.34409509"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98566"
                           xFract="0.43303185"
                           y3="2.43915"
                           yFract="0.47132623"
                           z3="10.12903"
                           zFract="0.40040921"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.96897"
                           xFract="0.93299385"
                           y3="2.43814"
                           yFract="0.47113106"
                           z3="10.31136"
                           zFract="0.40040063"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <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="1.22145"
                           xFract="0.13622891"
                           y3="0.71092"
                           yFract="0.13737377"
                           z3="6.21168"
                           zFract="0.24974704"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71349"
                           xFract="0.13989862"
                           y3="3.27003"
                           yFract="0.63188033"
                           z3="6.32294"
                           zFract="0.24685804"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20562"
                           xFract="0.63622913"
                           y3="0.71101"
                           yFract="0.13739117"
                           z3="6.39428"
                           zFract="0.24974576"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69762"
                           xFract="0.63989213"
                           y3="3.27012"
                           yFract="0.63189772"
                           z3="6.50549"
                           zFract="0.24685481"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.5704"
                           xFract="0.2996559"
                           y3="1.36122"
                           yFract="0.26303372"
                           z3="8.78479"
                           zFract="0.35057846"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06715"
                           xFract="0.28125422"
                           y3="4.15783"
                           yFract="0.8034333"
                           z3="8.81541"
                           zFract="0.34403868"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55406"
                           xFract="0.79959088"
                           y3="1.3611"
                           yFract="0.26301053"
                           z3="8.96667"
                           zFract="0.35054933"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05154"
                           xFract="0.78132691"
                           y3="4.15755"
                           yFract="0.8033792"
                           z3="8.99812"
                           zFract="0.34404188"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98576"
                           xFract="0.43308711"
                           y3="2.43875"
                           yFract="0.47124894"
                           z3="10.12926"
                           zFract="0.40041893"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.96914"
                           xFract="0.93304929"
                           y3="2.43786"
                           yFract="0.47107696"
                           z3="10.31159"
                           zFract="0.40041001"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <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="1.22131"
                           xFract="0.13629304"
                           y3="0.71001"
                           yFract="0.13719793"
                           z3="6.21183"
                           zFract="0.24975484"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71299"
                           xFract="0.13986971"
                           y3="3.26946"
                           yFract="0.63177019"
                           z3="6.32356"
                           zFract="0.24688545"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20542"
                           xFract="0.63629187"
                           y3="0.71001"
                           yFract="0.13719793"
                           z3="6.39446"
                           zFract="0.24975506"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69709"
                           xFract="0.63985627"
                           y3="3.26957"
                           yFract="0.63179144"
                           z3="6.50618"
                           zFract="0.24688513"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56991"
                           xFract="0.29944001"
                           y3="1.36261"
                           yFract="0.26330231"
                           z3="8.78441"
                           zFract="0.35056214"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06702"
                           xFract="0.28109287"
                           y3="4.15928"
                           yFract="0.80371349"
                           z3="8.81812"
                           zFract="0.34414765"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55373"
                           xFract="0.79940468"
                           y3="1.36246"
                           yFract="0.26327333"
                           z3="8.96647"
                           zFract="0.35054001"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.0514"
                           xFract="0.78117351"
                           y3="4.1589"
                           yFract="0.80364006"
                           z3="9.00089"
                           zFract="0.34415346"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98598"
                           xFract="0.43291509"
                           y3="2.44092"
                           yFract="0.47166825"
                           z3="10.12856"
                           zFract="0.40038664"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97015"
                           xFract="0.93302697"
                           y3="2.43985"
                           yFract="0.47146149"
                           z3="10.3102"
                           zFract="0.4003478"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <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="1.22121"
                           xFract="0.13633308"
                           y3="0.70942"
                           yFract="0.13708392"
                           z3="6.21193"
                           zFract="0.24976003"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71266"
                           xFract="0.13985003"
                           y3="3.26909"
                           yFract="0.63169869"
                           z3="6.32396"
                           zFract="0.24690316"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20529"
                           xFract="0.63633362"
                           y3="0.70935"
                           yFract="0.1370704"
                           z3="6.39458"
                           zFract="0.24976124"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69674"
                           xFract="0.63983228"
                           y3="3.26921"
                           yFract="0.63172188"
                           z3="6.50663"
                           zFract="0.24690491"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56959"
                           xFract="0.2992988"
                           y3="1.36352"
                           yFract="0.26347815"
                           z3="8.78416"
                           zFract="0.35055141"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06693"
                           xFract="0.28098731"
                           y3="4.16022"
                           yFract="0.80389513"
                           z3="8.81987"
                           zFract="0.34421802"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55351"
                           xFract="0.79928311"
                           y3="1.36334"
                           yFract="0.26344337"
                           z3="8.96634"
                           zFract="0.35053398"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05131"
                           xFract="0.78107373"
                           y3="4.15978"
                           yFract="0.80381011"
                           z3="9.00269"
                           zFract="0.34422597"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98613"
                           xFract="0.43280451"
                           y3="2.44233"
                           yFract="0.47194071"
                           z3="10.12811"
                           zFract="0.40036583"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97081"
                           xFract="0.93301242"
                           y3="2.44115"
                           yFract="0.4717127"
                           z3="10.30931"
                           zFract="0.4003079"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <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="1.22099"
                           xFract="0.13641365"
                           y3="0.7082"
                           yFract="0.13684818"
                           z3="6.21115"
                           zFract="0.24973047"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71229"
                           xFract="0.13976493"
                           y3="3.26933"
                           yFract="0.63174507"
                           z3="6.32527"
                           zFract="0.24695727"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.2050"
                           xFract="0.63641208"
                           y3="0.70803"
                           yFract="0.13681533"
                           z3="6.39389"
                           zFract="0.24973568"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69633"
                           xFract="0.63974048"
                           y3="3.26945"
                           yFract="0.63176826"
                           z3="6.50801"
                           zFract="0.24696198"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56984"
                           xFract="0.29924924"
                           y3="1.36447"
                           yFract="0.26366173"
                           z3="8.78343"
                           zFract="0.35051958"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06674"
                           xFract="0.28083131"
                           y3="4.16151"
                           yFract="0.8041444"
                           z3="8.82149"
                           zFract="0.34428283"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55326"
                           xFract="0.79912572"
                           y3="1.36454"
                           yFract="0.26367525"
                           z3="8.96585"
                           zFract="0.35051284"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05092"
                           xFract="0.78085052"
                           y3="4.16142"
                           yFract="0.80412701"
                           z3="9.00416"
                           zFract="0.34428464"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98648"
                           xFract="0.4326254"
                           y3="2.4448"
                           yFract="0.472418"
                           z3="10.12857"
                           zFract="0.40038018"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97082"
                           xFract="0.93276768"
                           y3="2.44371"
                           yFract="0.47220738"
                           z3="10.31037"
                           zFract="0.40034749"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <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="1.22094"
                           xFract="0.13643318"
                           y3="0.70791"
                           yFract="0.13679214"
                           z3="6.21096"
                           zFract="0.24972325"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.7122"
                           xFract="0.13974504"
                           y3="3.26938"
                           yFract="0.63175473"
                           z3="6.32559"
                           zFract="0.24697049"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20493"
                           xFract="0.63643116"
                           y3="0.70771"
                           yFract="0.13675349"
                           z3="6.39372"
                           zFract="0.24972937"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69624"
                           xFract="0.63971962"
                           y3="3.26951"
                           yFract="0.63177985"
                           z3="6.50834"
                           zFract="0.24697561"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.5699"
                           xFract="0.29923716"
                           y3="1.3647"
                           yFract="0.26370617"
                           z3="8.78326"
                           zFract="0.35051215"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.0667"
                           xFract="0.28079476"
                           y3="4.16182"
                           yFract="0.8042043"
                           z3="8.82188"
                           zFract="0.34429842"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.5532"
                           xFract="0.79908872"
                           y3="1.36482"
                           yFract="0.26372936"
                           z3="8.96573"
                           zFract="0.35050768"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05082"
                           xFract="0.78079527"
                           y3="4.16182"
                           yFract="0.8042043"
                           z3="9.00452"
                           zFract="0.34429902"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98656"
                           xFract="0.43258202"
                           y3="2.44539"
                           yFract="0.47253201"
                           z3="10.12868"
                           zFract="0.40038362"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97082"
                           xFract="0.93270801"
                           y3="2.44433"
                           yFract="0.47232718"
                           z3="10.31063"
                           zFract="0.40035722"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <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="1.22083"
                           xFract="0.13647154"
                           y3="0.70732"
                           yFract="0.13667813"
                           z3="6.21059"
                           zFract="0.24970926"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71202"
                           xFract="0.13970333"
                           y3="3.2695"
                           yFract="0.63177792"
                           z3="6.32622"
                           zFract="0.24699652"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20479"
                           xFract="0.63646834"
                           y3="0.70708"
                           yFract="0.13663176"
                           z3="6.39339"
                           zFract="0.24971715"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69604"
                           xFract="0.63967456"
                           y3="3.26963"
                           yFract="0.63180304"
                           z3="6.50901"
                           zFract="0.24700331"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.57002"
                           xFract="0.29921395"
                           y3="1.36515"
                           yFract="0.26379313"
                           z3="8.78291"
                           zFract="0.35049689"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.0666"
                           xFract="0.28071833"
                           y3="4.16244"
                           yFract="0.80432411"
                           z3="8.82266"
                           zFract="0.34432964"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55308"
                           xFract="0.79901278"
                           y3="1.3654"
                           yFract="0.26384143"
                           z3="8.96549"
                           zFract="0.35049734"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05063"
                           xFract="0.78068739"
                           y3="4.16261"
                           yFract="0.80435696"
                           z3="9.00522"
                           zFract="0.34432696"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98673"
                           xFract="0.43249596"
                           y3="2.44658"
                           yFract="0.47276196"
                           z3="10.1289"
                           zFract="0.40039046"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97083"
                           xFract="0.93259129"
                           y3="2.44556"
                           yFract="0.47256486"
                           z3="10.31114"
                           zFract="0.40037625"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <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="1.22061"
                           xFract="0.1365473"
                           y3="0.70615"
                           yFract="0.13645205"
                           z3="6.20984"
                           zFract="0.24968086"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71165"
                           xFract="0.1396192"
                           y3="3.26973"
                           yFract="0.63182236"
                           z3="6.32748"
                           zFract="0.2470486"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20451"
                           xFract="0.63654367"
                           y3="0.70581"
                           yFract="0.13638635"
                           z3="6.39272"
                           zFract="0.24969231"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69565"
                           xFract="0.63958612"
                           y3="3.26987"
                           yFract="0.63184941"
                           z3="6.51034"
                           zFract="0.24705829"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.57026"
                           xFract="0.29916561"
                           y3="1.36607"
                           yFract="0.2639709"
                           z3="8.78221"
                           zFract="0.35046636"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06642"
                           xFract="0.28056881"
                           y3="4.16368"
                           yFract="0.80456372"
                           z3="8.82422"
                           zFract="0.34439205"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55283"
                           xFract="0.7988602"
                           y3="1.36655"
                           yFract="0.26406365"
                           z3="8.96502"
                           zFract="0.35047709"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05025"
                           xFract="0.78047164"
                           y3="4.16419"
                           yFract="0.80466227"
                           z3="9.00664"
                           zFract="0.34438365"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98707"
                           xFract="0.4323248"
                           y3="2.44895"
                           yFract="0.47321992"
                           z3="10.12935"
                           zFract="0.40040457"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97084"
                           xFract="0.93235521"
                           y3="2.44803"
                           yFract="0.47304215"
                           z3="10.31217"
                           zFract="0.40041474"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <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="1.22073"
                           xFract="0.13650292"
                           y3="0.70682"
                           yFract="0.13658152"
                           z3="6.21026"
                           zFract="0.24969675"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71186"
                           xFract="0.1396669"
                           y3="3.2696"
                           yFract="0.63179724"
                           z3="6.32676"
                           zFract="0.24701884"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20467"
                           xFract="0.63650117"
                           y3="0.70653"
                           yFract="0.13652548"
                           z3="6.3931"
                           zFract="0.2497064"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69587"
                           xFract="0.63963645"
                           y3="3.26973"
                           yFract="0.63182236"
                           z3="6.50958"
                           zFract="0.24702688"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.57012"
                           xFract="0.2991922"
                           y3="1.36555"
                           yFract="0.26387042"
                           z3="8.78261"
                           zFract="0.35048381"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06652"
                           xFract="0.28065391"
                           y3="4.16297"
                           yFract="0.80442652"
                           z3="8.82333"
                           zFract="0.34435645"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55297"
                           xFract="0.79894719"
                           y3="1.36589"
                           yFract="0.26393612"
                           z3="8.96529"
                           zFract="0.35048873"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05047"
                           xFract="0.78059513"
                           y3="4.16329"
                           yFract="0.80448836"
                           z3="9.00583"
                           zFract="0.3443513"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98688"
                           xFract="0.43242291"
                           y3="2.4476"
                           yFract="0.47295905"
                           z3="10.12909"
                           zFract="0.40039638"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97084"
                           xFract="0.93249093"
                           y3="2.44662"
                           yFract="0.47276969"
                           z3="10.31158"
                           zFract="0.40039267"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <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="1.22033"
                           xFract="0.13643589"
                           y3="0.70682"
                           yFract="0.13658152"
                           z3="6.20958"
                           zFract="0.24966996"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71183"
                           xFract="0.13966764"
                           y3="3.26954"
                           yFract="0.63178565"
                           z3="6.32777"
                           zFract="0.24706027"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20451"
                           xFract="0.63646281"
                           y3="0.70665"
                           yFract="0.13654867"
                           z3="6.39203"
                           zFract="0.2496629"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69582"
                           xFract="0.63963963"
                           y3="3.26961"
                           yFract="0.63179917"
                           z3="6.51055"
                           zFract="0.24706682"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56955"
                           xFract="0.29892921"
                           y3="1.36729"
                           yFract="0.26420665"
                           z3="8.78248"
                           zFract="0.3504774"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06619"
                           xFract="0.28042632"
                           y3="4.16476"
                           yFract="0.80477241"
                           z3="8.82315"
                           zFract="0.34434733"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55403"
                           xFract="0.79897078"
                           y3="1.36749"
                           yFract="0.26424529"
                           z3="8.96518"
                           zFract="0.35047927"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05023"
                           xFract="0.78048561"
                           y3="4.16401"
                           yFract="0.80462749"
                           z3="9.00597"
                           zFract="0.34435658"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98669"
                           xFract="0.43231214"
                           y3="2.44842"
                           yFract="0.47311751"
                           z3="10.13075"
                           zFract="0.4004635"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97064"
                           xFract="0.93236983"
                           y3="2.44753"
                           yFract="0.47294553"
                           z3="10.31264"
                           zFract="0.40043517"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.28">
                  <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="1.22028"
                           xFract="0.13642752"
                           y3="0.70682"
                           yFract="0.13658152"
                           z3="6.20951"
                           zFract="0.24966723"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71183"
                           xFract="0.13966764"
                           y3="3.26954"
                           yFract="0.63178565"
                           z3="6.32788"
                           zFract="0.24706477"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.2045"
                           xFract="0.63646018"
                           y3="0.70666"
                           yFract="0.1365506"
                           z3="6.39191"
                           zFract="0.24965801"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69581"
                           xFract="0.63963891"
                           y3="3.2696"
                           yFract="0.63179724"
                           z3="6.51066"
                           zFract="0.24707136"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56949"
                           xFract="0.29890087"
                           y3="1.36748"
                           yFract="0.26424336"
                           z3="8.78247"
                           zFract="0.35047687"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06615"
                           xFract="0.28040037"
                           y3="4.16496"
                           yFract="0.80481106"
                           z3="8.82313"
                           zFract="0.34434633"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55415"
                           xFract="0.79897356"
                           y3="1.36767"
                           yFract="0.26428007"
                           z3="8.96517"
                           zFract="0.3504783"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.0502"
                           xFract="0.78047288"
                           y3="4.16409"
                           yFract="0.80464294"
                           z3="9.00599"
                           zFract="0.34435736"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98667"
                           xFract="0.43230013"
                           y3="2.44851"
                           yFract="0.4731349"
                           z3="10.13094"
                           zFract="0.40047118"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97062"
                           xFract="0.93235685"
                           y3="2.44763"
                           yFract="0.47296485"
                           z3="10.31276"
                           zFract="0.40043998"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.29">
                  <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="1.22019"
                           xFract="0.13641244"
                           y3="0.70682"
                           yFract="0.13658152"
                           z3="6.20936"
                           zFract="0.24966132"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71182"
                           xFract="0.13966693"
                           y3="3.26953"
                           yFract="0.63178371"
                           z3="6.32811"
                           zFract="0.2470742"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20446"
                           xFract="0.63645155"
                           y3="0.70668"
                           yFract="0.13655446"
                           z3="6.39167"
                           zFract="0.24964827"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.6958"
                           xFract="0.63964013"
                           y3="3.26957"
                           yFract="0.63179144"
                           z3="6.51088"
                           zFract="0.24708041"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56936"
                           xFract="0.29884155"
                           y3="1.36787"
                           yFract="0.26431872"
                           z3="8.78244"
                           zFract="0.3504754"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06608"
                           xFract="0.28035014"
                           y3="4.16536"
                           yFract="0.80488835"
                           z3="8.82309"
                           zFract="0.34434429"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55438"
                           xFract="0.79897745"
                           y3="1.36803"
                           yFract="0.26434964"
                           z3="8.96515"
                           zFract="0.35047639"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05015"
                           xFract="0.78044911"
                           y3="4.16425"
                           yFract="0.80467386"
                           z3="9.00602"
                           zFract="0.34435848"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98663"
                           xFract="0.4322761"
                           y3="2.44869"
                           yFract="0.47316968"
                           z3="10.13131"
                           zFract="0.40048614"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97058"
                           xFract="0.93232994"
                           y3="2.44784"
                           yFract="0.47300543"
                           z3="10.31299"
                           zFract="0.40044917"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <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="1.22001"
                           xFract="0.13638324"
                           y3="0.70681"
                           yFract="0.13657958"
                           z3="6.20905"
                           zFract="0.24964912"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71181"
                           xFract="0.13966718"
                           y3="3.26951"
                           yFract="0.63177985"
                           z3="6.32856"
                           zFract="0.24709265"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20439"
                           xFract="0.63643501"
                           y3="0.70673"
                           yFract="0.13656413"
                           z3="6.39119"
                           zFract="0.24962876"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69577"
                           xFract="0.63963991"
                           y3="3.26952"
                           yFract="0.63178178"
                           z3="6.51131"
                           zFract="0.24709813"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56911"
                           xFract="0.29872458"
                           y3="1.36865"
                           yFract="0.26446944"
                           z3="8.78239"
                           zFract="0.35047285"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06593"
                           xFract="0.280248"
                           y3="4.16616"
                           yFract="0.80504294"
                           z3="8.82301"
                           zFract="0.34434024"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55485"
                           xFract="0.79898786"
                           y3="1.36874"
                           yFract="0.26448683"
                           z3="8.9651"
                           zFract="0.35047214"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.05004"
                           xFract="0.78039891"
                           y3="4.16458"
                           yFract="0.80473763"
                           z3="9.00608"
                           zFract="0.34436072"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98654"
                           xFract="0.43222637"
                           y3="2.44905"
                           yFract="0.47323924"
                           z3="10.13204"
                           zFract="0.40051568"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97049"
                           xFract="0.93227636"
                           y3="2.44824"
                           yFract="0.47308272"
                           z3="10.31347"
                           zFract="0.40046843"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <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="1.21993"
                           xFract="0.13633518"
                           y3="0.70717"
                           yFract="0.13664915"
                           z3="6.20861"
                           zFract="0.24963082"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71187"
                           xFract="0.13969071"
                           y3="3.26937"
                           yFract="0.6317528"
                           z3="6.32907"
                           zFract="0.24711354"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20432"
                           xFract="0.63639151"
                           y3="0.70706"
                           yFract="0.13662789"
                           z3="6.39087"
                           zFract="0.24961538"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69589"
                           xFract="0.63968023"
                           y3="3.26931"
                           yFract="0.6317412"
                           z3="6.51173"
                           zFract="0.2471153"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56933"
                           xFract="0.29862284"
                           y3="1.37009"
                           yFract="0.2647477"
                           z3="8.78241"
                           zFract="0.35047104"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06548"
                           xFract="0.28010715"
                           y3="4.16684"
                           yFract="0.80517434"
                           z3="8.82288"
                           zFract="0.34433506"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55461"
                           xFract="0.79881866"
                           y3="1.37008"
                           yFract="0.26474577"
                           z3="8.96511"
                           zFract="0.35047121"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.04974"
                           xFract="0.78026298"
                           y3="4.16547"
                           yFract="0.80490961"
                           z3="9.00593"
                           zFract="0.34435406"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98665"
                           xFract="0.43218031"
                           y3="2.44972"
                           yFract="0.47336871"
                           z3="10.13301"
                           zFract="0.40055407"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.9707"
                           xFract="0.93223935"
                           y3="2.44899"
                           yFract="0.47322765"
                           z3="10.3145"
                           zFract="0.40050891"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <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="1.21971"
                           xFract="0.13621169"
                           y3="0.70807"
                           yFract="0.13682306"
                           z3="6.20747"
                           zFract="0.24958348"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71205"
                           xFract="0.13975456"
                           y3="3.26902"
                           yFract="0.63168516"
                           z3="6.33038"
                           zFract="0.24716713"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20415"
                           xFract="0.63628314"
                           y3="0.70789"
                           yFract="0.13678828"
                           z3="6.39006"
                           zFract="0.2495815"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69618"
                           xFract="0.63977791"
                           y3="3.2688"
                           yFract="0.63164265"
                           z3="6.51282"
                           zFract="0.24715985"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.5699"
                           xFract="0.29836316"
                           y3="1.37378"
                           yFract="0.26546073"
                           z3="8.78247"
                           zFract="0.35046672"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06433"
                           xFract="0.27974505"
                           y3="4.1686"
                           yFract="0.80551443"
                           z3="8.82256"
                           zFract="0.34432232"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55399"
                           xFract="0.7983827"
                           y3="1.37353"
                           yFract="0.26541242"
                           z3="8.96514"
                           zFract="0.35046899"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.04899"
                           xFract="0.77991593"
                           y3="4.16777"
                           yFract="0.80535404"
                           z3="9.00553"
                           zFract="0.34433626"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98694"
                           xFract="0.43206334"
                           y3="2.45144"
                           yFract="0.47370107"
                           z3="10.13547"
                           zFract="0.40065138"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97122"
                           xFract="0.93214167"
                           y3="2.45091"
                           yFract="0.47359866"
                           z3="10.31715"
                           zFract="0.40061312"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <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="1.21977"
                           xFract="0.13624388"
                           y3="0.70784"
                           yFract="0.13677861"
                           z3="6.20776"
                           zFract="0.24959551"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.7120"
                           xFract="0.13973752"
                           y3="3.26911"
                           yFract="0.63170256"
                           z3="6.33005"
                           zFract="0.24715364"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20419"
                           xFract="0.63631005"
                           y3="0.70768"
                           yFract="0.1367477"
                           z3="6.39026"
                           zFract="0.24958988"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69611"
                           xFract="0.63975367"
                           y3="3.26893"
                           yFract="0.63166777"
                           z3="6.51255"
                           zFract="0.24714881"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56976"
                           xFract="0.29842826"
                           y3="1.37286"
                           yFract="0.26528296"
                           z3="8.78245"
                           zFract="0.35046759"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06462"
                           xFract="0.279836"
                           y3="4.16816"
                           yFract="0.80542941"
                           z3="8.82264"
                           zFract="0.3443255"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55415"
                           xFract="0.79849229"
                           y3="1.37267"
                           yFract="0.26524624"
                           z3="8.96513"
                           zFract="0.35046943"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.04918"
                           xFract="0.78000359"
                           y3="4.16719"
                           yFract="0.80524197"
                           z3="9.00563"
                           zFract="0.34434071"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98687"
                           xFract="0.432093"
                           y3="2.45101"
                           yFract="0.47361798"
                           z3="10.13485"
                           zFract="0.40062684"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97109"
                           xFract="0.93216609"
                           y3="2.45043"
                           yFract="0.47350591"
                           z3="10.31648"
                           zFract="0.40058676"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <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="1.22004"
                           xFract="0.13625832"
                           y3="0.70816"
                           yFract="0.13684045"
                           z3="6.20815"
                           zFract="0.24961031"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.7123"
                           xFract="0.13977623"
                           y3="3.26923"
                           yFract="0.63172574"
                           z3="6.32971"
                           zFract="0.24713882"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20425"
                           xFract="0.63628931"
                           y3="0.7080"
                           yFract="0.13680953"
                           z3="6.39082"
                           zFract="0.24961215"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69638"
                           xFract="0.63978062"
                           y3="3.26912"
                           yFract="0.63170449"
                           z3="6.51224"
                           zFract="0.24713519"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.57006"
                           xFract="0.29844002"
                           y3="1.37326"
                           yFract="0.26536025"
                           z3="8.78251"
                           zFract="0.35046871"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06447"
                           xFract="0.27979835"
                           y3="4.16829"
                           yFract="0.80545453"
                           z3="8.8229"
                           zFract="0.34433631"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55352"
                           xFract="0.7983386"
                           y3="1.37317"
                           yFract="0.26534286"
                           z3="8.9652"
                           zFract="0.35047314"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.04883"
                           xFract="0.77987949"
                           y3="4.16787"
                           yFract="0.80537337"
                           z3="9.00553"
                           zFract="0.34433651"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9868"
                           xFract="0.4320832"
                           y3="2.45099"
                           yFract="0.47361412"
                           z3="10.13441"
                           zFract="0.40060906"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97103"
                           xFract="0.93216085"
                           y3="2.45038"
                           yFract="0.47349624"
                           z3="10.31657"
                           zFract="0.40059066"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <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="1.22034"
                           xFract="0.1362749"
                           y3="0.70851"
                           yFract="0.13690808"
                           z3="6.20857"
                           zFract="0.24962622"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71262"
                           xFract="0.13981637"
                           y3="3.26937"
                           yFract="0.6317528"
                           z3="6.32934"
                           zFract="0.2471227"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20432"
                           xFract="0.63626831"
                           y3="0.70834"
                           yFract="0.13687523"
                           z3="6.39143"
                           zFract="0.24963641"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69669"
                           xFract="0.63981331"
                           y3="3.26932"
                           yFract="0.63174314"
                           z3="6.51191"
                           zFract="0.24712064"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.5704"
                           xFract="0.29845464"
                           y3="1.3737"
                           yFract="0.26544527"
                           z3="8.78258"
                           zFract="0.35047008"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06432"
                           xFract="0.2797607"
                           y3="4.16842"
                           yFract="0.80547965"
                           z3="8.82318"
                           zFract="0.34434794"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55283"
                           xFract="0.79816909"
                           y3="1.37373"
                           yFract="0.26545107"
                           z3="8.96527"
                           zFract="0.35047691"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.04845"
                           xFract="0.77974556"
                           y3="4.1686"
                           yFract="0.80551443"
                           z3="9.00542"
                           zFract="0.34433191"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98674"
                           xFract="0.43207603"
                           y3="2.45096"
                           yFract="0.47360832"
                           z3="10.13393"
                           zFract="0.40058964"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97097"
                           xFract="0.93215657"
                           y3="2.45032"
                           yFract="0.47348465"
                           z3="10.31666"
                           zFract="0.40059458"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <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="1.22069"
                           xFract="0.13629793"
                           y3="0.70888"
                           yFract="0.13697958"
                           z3="6.20928"
                           zFract="0.24965382"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71271"
                           xFract="0.13978236"
                           y3="3.26988"
                           yFract="0.63185135"
                           z3="6.32889"
                           zFract="0.24710334"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20459"
                           xFract="0.63627312"
                           y3="0.70876"
                           yFract="0.13695639"
                           z3="6.39197"
                           zFract="0.24965719"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69674"
                           xFract="0.63977164"
                           y3="3.26984"
                           yFract="0.63184362"
                           z3="6.51149"
                           zFract="0.2471026"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56998"
                           xFract="0.2983525"
                           y3="1.37403"
                           yFract="0.26550904"
                           z3="8.78252"
                           zFract="0.3504682"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06402"
                           xFract="0.27963151"
                           y3="4.16924"
                           yFract="0.8056381"
                           z3="8.82332"
                           zFract="0.34435322"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55293"
                           xFract="0.79814927"
                           y3="1.37411"
                           yFract="0.2655245"
                           z3="8.96536"
                           zFract="0.35047979"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.04802"
                           xFract="0.77963789"
                           y3="4.16897"
                           yFract="0.80558593"
                           z3="9.00562"
                           zFract="0.34434062"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.98681"
                           xFract="0.43206755"
                           y3="2.45117"
                           yFract="0.4736489"
                           z3="10.13373"
                           zFract="0.40058099"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97111"
                           xFract="0.93218677"
                           y3="2.45025"
                           yFract="0.47347112"
                           z3="10.31628"
                           zFract="0.4005788"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <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="1.22113"
                           xFract="0.13632641"
                           y3="0.70935"
                           yFract="0.1370704"
                           z3="6.21015"
                           zFract="0.24968759"/>
                     <atom elementType="Au"
                           id="a10"
                           x3="2.71283"
                           xFract="0.13974376"
                           y3="3.27049"
                           yFract="0.63196922"
                           z3="6.32834"
                           zFract="0.24707969"/>
                     <atom elementType="Au"
                           id="a11"
                           x3="4.20491"
                           xFract="0.63627765"
                           y3="0.70927"
                           yFract="0.13705494"
                           z3="6.39263"
                           zFract="0.24968262"/>
                     <atom elementType="Au"
                           id="a12"
                           x3="5.69681"
                           xFract="0.63972176"
                           y3="3.27048"
                           yFract="0.63196729"
                           z3="6.51098"
                           zFract="0.24708066"/>
                     <atom elementType="Au"
                           id="a13"
                           x3="2.56946"
                           xFract="0.29822591"
                           y3="1.37444"
                           yFract="0.26558827"
                           z3="8.78246"
                           zFract="0.35046646"/>
                     <atom elementType="Au"
                           id="a14"
                           x3="4.06365"
                           xFract="0.2794723"
                           y3="4.17025"
                           yFract="0.80583326"
                           z3="8.8235"
                           zFract="0.34436004"/>
                     <atom elementType="Au"
                           id="a15"
                           x3="5.55306"
                           xFract="0.79812581"
                           y3="1.37458"
                           yFract="0.26561532"
                           z3="8.96547"
                           zFract="0.35048328"/>
                     <atom elementType="Au"
                           id="a16"
                           x3="7.0475"
                           xFract="0.77950841"
                           y3="4.16941"
                           yFract="0.80567095"
                           z3="9.00588"
                           zFract="0.34435191"/>
                     <atom elementType="O"
                           id="a17"
                           x3="3.9869"
                           xFract="0.43205953"
                           y3="2.45141"
                           yFract="0.47369528"
                           z3="10.13349"
                           zFract="0.40057061"/>
                     <atom elementType="O"
                           id="a18"
                           x3="6.97128"
                           xFract="0.93222391"
                           y3="2.45016"
                           yFract="0.47345373"
                           z3="10.31582"
                           zFract="0.40055971"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a2" order="S"/>
                     <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                     <bond atomRefs2="a5 a7" order="S"/>
                     <bond atomRefs2="a5 a6" order="S"/>
                     <bond atomRefs2="a6 a8" order="S"/>
                     <bond atomRefs2="a6 a12" order="S"/>
                     <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a17" order="S"/>
                     <bond atomRefs2="a14 a17" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a15 a17" order="S"/>
                     <bond atomRefs2="a16 a18" order="S"/>
                  </bondArray>
                  <formula concise="Au16O2">
                     <atomArray count="16 2" elementType="Au O"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">3183.4636000000014</scalar>
                  </property>
               </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="18">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="18">-0.000 -0.001 -0.000 -0.001 0.001 -0.001 0.001 -0.001 -0.000 0.001 -0.000 0.001 -0.007 -0.005 -0.007 -0.005 0.005 0.005</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="18">0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 0.000 -0.004 -0.003 -0.004 -0.003 0.261 0.261</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="18">-0.000 0.000 -0.000 0.000 0.000 -0.000 0.000 -0.000 0.002 -0.001 0.002 -0.001 0.130 0.028 0.131 0.028 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="18">-0.001 -0.001 -0.001 -0.001 0.001 -0.001 0.001 -0.001 0.001 0.001 0.001 0.001 0.120 0.020 0.120 0.020 0.266 0.266</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.016</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">0.510</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">0.317</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">0.811</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-38.19963623</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-38.19928455</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-38.19951901</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-7.2162</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">-0.6813042E-05</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="1.22113"
                        xFract="0.13632641"
                        y3="0.70935"
                        yFract="0.1370704"
                        z3="6.21015"
                        zFract="0.24968759"/>
                  <atom elementType="Au"
                        id="a10"
                        x3="2.71283"
                        xFract="0.13974376"
                        y3="3.27049"
                        yFract="0.63196922"
                        z3="6.32834"
                        zFract="0.24707969"/>
                  <atom elementType="Au"
                        id="a11"
                        x3="4.20491"
                        xFract="0.63627765"
                        y3="0.70927"
                        yFract="0.13705494"
                        z3="6.39263"
                        zFract="0.24968262"/>
                  <atom elementType="Au"
                        id="a12"
                        x3="5.69681"
                        xFract="0.63972176"
                        y3="3.27048"
                        yFract="0.63196729"
                        z3="6.51098"
                        zFract="0.24708066"/>
                  <atom elementType="Au"
                        id="a13"
                        x3="2.56946"
                        xFract="0.29822591"
                        y3="1.37444"
                        yFract="0.26558827"
                        z3="8.78246"
                        zFract="0.35046646"/>
                  <atom elementType="Au"
                        id="a14"
                        x3="4.06365"
                        xFract="0.2794723"
                        y3="4.17025"
                        yFract="0.80583326"
                        z3="8.8235"
                        zFract="0.34436004"/>
                  <atom elementType="Au"
                        id="a15"
                        x3="5.55306"
                        xFract="0.79812581"
                        y3="1.37458"
                        yFract="0.26561532"
                        z3="8.96547"
                        zFract="0.35048328"/>
                  <atom elementType="Au"
                        id="a16"
                        x3="7.0475"
                        xFract="0.77950841"
                        y3="4.16941"
                        yFract="0.80567095"
                        z3="9.00588"
                        zFract="0.34435191"/>
                  <atom elementType="O"
                        id="a17"
                        x3="3.9869"
                        xFract="0.43205953"
                        y3="2.45141"
                        yFract="0.47369528"
                        z3="10.13349"
                        zFract="0.40057061"/>
                  <atom elementType="O"
                        id="a18"
                        x3="6.97128"
                        xFract="0.93222391"
                        y3="2.45016"
                        yFract="0.47345373"
                        z3="10.31582"
                        zFract="0.40055971"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a5" 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 a12" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" 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 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
               </bondArray>
               <formula concise="Au16O2">
                  <atomArray count="16 2" elementType="Au O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3183.4636000000014</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
