<?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 Jul 31 2024 16:08:57) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2025-09-02T16:44:23.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                        id="a1"
                        x3="2.61042584"
                        xFract="0.336868"
                        y3="1.5108934"
                        yFract="0.336868"
                        z3="1.27381326"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.89871484"
                        xFract="0.336868"
                        y3="3.7534534"
                        yFract="0.836868"
                        z3="1.43209026"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.19668984"
                        xFract="0.836868"
                        y3="1.5108934"
                        yFract="0.336868"
                        z3="1.43209026"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.48497884"
                        xFract="0.836868"
                        y3="3.7534534"
                        yFract="0.836868"
                        z3="1.59036726"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.77278399"
                        xFract="0.486867"
                        y3="2.18365692"
                        yFract="0.486867"
                        z3="3.48968803"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="5.06107299"
                        xFract="0.486867"
                        y3="4.42621692"
                        yFract="0.986867"
                        z3="3.64796503"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.35904799"
                        xFract="0.986867"
                        y3="2.18365692"
                        yFract="0.486867"
                        z3="3.64796503"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.64733699"
                        xFract="0.986867"
                        y3="4.42621692"
                        yFract="0.986867"
                        z3="3.80624203"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="1.0557382"
                        xFract="0.13681567"
                        y3="0.60586943"
                        yFract="0.13508433"
                        z3="5.42670895"
                        zFract="0.25180889"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.3556698"
                        xFract="0.13922035"
                        y3="2.84704438"
                        yFract="0.63477552"
                        z3="5.50617278"
                        zFract="0.2480616"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="3.64646273"
                        xFract="0.63619935"
                        y3="0.61918333"
                        yFract="0.13805279"
                        z3="5.50696462"
                        zFract="0.24809511"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.92476686"
                        xFract="0.63601379"
                        y3="2.84603317"
                        yFract="0.63455006"
                        z3="5.66340896"
                        zFract="0.24806375"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.20364069"
                        xFract="0.28471319"
                        y3="1.27239123"
                        yFract="0.28369168"
                        z3="7.57806234"
                        zFract="0.34881887"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="3.50802465"
                        xFract="0.28455235"
                        y3="3.54441636"
                        yFract="0.79026121"
                        z3="7.73758182"
                        zFract="0.3487818"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.82304921"
                        xFract="0.79131078"
                        y3="1.27068235"
                        yFract="0.28331067"
                        z3="7.73866248"
                        zFract="0.34883562"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.10163214"
                        xFract="0.78778786"
                        y3="3.52806697"
                        yFract="0.78661596"
                        z3="7.76527177"
                        zFract="0.34263079"/>
                  <atom elementType="I"
                        id="a17"
                        x3="5.8955005"
                        xFract="0.76546618"
                        y3="3.37023152"
                        yFract="0.75142505"
                        z3="10.56862979"
                        zFract="0.47566637"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.52304923"
                        xFract="0.45113322"
                        y3="2.07068235"
                        yFract="0.46167825"
                        z3="8.73866253"
                        zFract="0.39840029"/>
                  <atom elementType="H"
                        id="a19"
                        x3="7.42304923"
                        xFract="0.96077967"
                        y3="4.27068238"
                        yFract="0.9521891"
                        z3="8.73866251"
                        zFract="0.38347255"/>
               </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 a4" order="S"/>
                  <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                  <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
               </bondArray>
               <formula concise="H2Cu16I">
                  <atomArray count="2 16 1" elementType="H Cu I"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1143.6404700000003</scalar>
               </property>
            </molecule>
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                        id="a1"
                        x3="2.61042584"
                        xFract="0.336868"
                        y3="1.5108934"
                        yFract="0.336868"
                        z3="1.27381326"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.89871484"
                        xFract="0.336868"
                        y3="3.7534534"
                        yFract="0.836868"
                        z3="1.43209026"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.19668984"
                        xFract="0.836868"
                        y3="1.5108934"
                        yFract="0.336868"
                        z3="1.43209026"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.48497884"
                        xFract="0.836868"
                        y3="3.7534534"
                        yFract="0.836868"
                        z3="1.59036726"
                        zFract="0.050004"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.77278399"
                        xFract="0.486867"
                        y3="2.18365692"
                        yFract="0.486867"
                        z3="3.48968803"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="5.06107299"
                        xFract="0.486867"
                        y3="4.42621692"
                        yFract="0.986867"
                        z3="3.64796503"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.35904799"
                        xFract="0.986867"
                        y3="2.18365692"
                        yFract="0.486867"
                        z3="3.64796503"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.64733699"
                        xFract="0.986867"
                        y3="4.42621692"
                        yFract="0.986867"
                        z3="3.80624203"
                        zFract="0.150004"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="1.05573819"
                        xFract="0.13681567"
                        y3="0.60586941"
                        yFract="0.13508433"
                        z3="5.42670886"
                        zFract="0.25180889"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.35566976"
                        xFract="0.13922035"
                        y3="2.84704436"
                        yFract="0.63477551"
                        z3="5.50617282"
                        zFract="0.2480616"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="3.64646275"
                        xFract="0.63619935"
                        y3="0.61918334"
                        yFract="0.13805279"
                        z3="5.50696456"
                        zFract="0.24809511"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.9247669"
                        xFract="0.63601379"
                        y3="2.84603318"
                        yFract="0.63455006"
                        z3="5.66340888"
                        zFract="0.24806375"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.2036407"
                        xFract="0.28471319"
                        y3="1.27239121"
                        yFract="0.28369168"
                        z3="7.57806226"
                        zFract="0.34881887"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="3.50802467"
                        xFract="0.28455235"
                        y3="3.54441636"
                        yFract="0.79026121"
                        z3="7.73758175"
                        zFract="0.3487818"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.82304922"
                        xFract="0.79131078"
                        y3="1.27068237"
                        yFract="0.28331067"
                        z3="7.73866246"
                        zFract="0.34883562"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.10163211"
                        xFract="0.78778786"
                        y3="3.52806696"
                        yFract="0.78661596"
                        z3="7.76527171"
                        zFract="0.34263079"/>
                  <atom elementType="I"
                        id="a17"
                        x3="5.89550048"
                        xFract="0.76546618"
                        y3="3.37023152"
                        yFract="0.75142505"
                        z3="10.56862983"
                        zFract="0.47566637"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.52304923"
                        xFract="0.45113322"
                        y3="2.07068237"
                        yFract="0.46167825"
                        z3="8.73866246"
                        zFract="0.39840029"/>
                  <atom elementType="H"
                        id="a19"
                        x3="7.42304923"
                        xFract="0.96077967"
                        y3="4.27068237"
                        yFract="0.9521891"
                        z3="8.73866247"
                        zFract="0.38347255"/>
               </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 a4" order="S"/>
                  <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                  <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
               </bondArray>
               <formula concise="H2Cu16I">
                  <atomArray count="2 16 1" elementType="H Cu I"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1143.6404700000003</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">185.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">BF</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">17</scalar>
               </parameter>
               <parameter dictRef="v:libxc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE Cu 05Jan2001|PAW_PBE I 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="3">Cu I H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">63.546 126.904 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">11.000 7.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">16 1 2</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Points file</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">7 7 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0 0 0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="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="5600">-13.3279 -9.8604 -9.0425 -7.5505 -7.2009 -6.1994 -5.7928 -5.7344 -5.6850 -5.6432 -5.6307 -5.6230 -5.5643 -5.3880 -5.3216 -5.2314 -5.2223 -5.2187 -5.1826 -5.1529 -5.0464 -4.9459 -4.8479 -4.6300 -4.5496 -4.4463 -4.4090 -4.2577 -4.1915 -4.1746 -4.1571 -4.1348 -4.1040 -4.0696 -4.0343 -4.0255 -4.0120 -4.0011 -3.9927 -3.9749 -3.9656 -3.9529 -3.9412 -3.8799 -3.8734 -3.7492 -3.7486 -3.7479 -3.6820 -3.6761 -3.6347 -3.6039 -3.4821 -3.3988 -3.3817 -3.2822 -3.2807 -3.2550 -3.2012 -3.1953 -3.1728 -3.1721 -3.1041 -3.0960 -3.0568 -3.0194 -2.9835 -2.9429 -2.9424 -2.8790 -2.8775 -2.8575 -2.8412 -2.8269 -2.7941 -2.7802 -2.7681 -2.7546 -2.7429 -2.7099 -2.6838 -2.6688 -2.5531 -2.5321 -2.5304 -2.5265 -2.3961 -2.2805 -2.0875 -1.5984 -1.1736 -0.9605 -0.9254 -0.2855 -0.1115 -0.0768 0.2524 0.4372 0.4777 0.5292 0.6421 2.0344 2.6543 2.9655 3.0015 3.2647 3.4242 3.4905 3.6026 4.3153 4.4852 4.6004 4.8382 5.1034 5.4251 5.7796 6.0696 6.4484 6.8842 6.9845 7.1849 7.3743 7.6257 7.6956 8.3815 8.6262 8.7103 9.0134 9.2236 9.3982 9.5585 9.9580 10.0015 10.0646 10.1387 10.2851 10.4155 10.6211 10.9872 11.1096 11.1829 11.3540 11.3743 11.5406 11.8777 12.0240 12.0475 12.1531 12.3247 12.3277 12.3886 12.6520 12.8767 12.9233 13.1661 13.2024 13.3000 13.5324 13.6530 13.7802 13.9831 14.0417 14.0539 14.1714 14.5894 14.7125 14.7784 15.2745 15.3067 15.5249 15.5766 15.7025 15.9857 16.1529 16.3473 16.4726 16.6416 16.7801 17.0419 17.1280 17.2233 17.2254 17.4076 17.4702 17.5200 17.7052 17.8033 17.9910 18.0152 18.2013 18.2862 18.3139 18.5179 18.5592 18.6794 18.7143 18.9941 19.1737 19.2534 19.3282 19.3303 19.4446 19.6876 19.8532 19.9672 20.0326 20.1915 20.5118 20.5636 20.6232 20.7349 20.7647 20.8333 21.0331 21.1923 21.2356 21.2544 21.3335 21.5344 21.5493 21.7116 21.8672 21.9311 21.9400 -13.3129 -9.7181 -8.9074 -7.4276 -7.2470 -6.0946 -5.8398 -5.7398 -5.6808 -5.6458 -5.5953 -5.5766 -5.5208 -5.3897 -5.2836 -5.1972 -5.1820 -5.1723 -5.1448 -5.1074 -4.9982 -4.9091 -4.8188 -4.6336 -4.5688 -4.4740 -4.4177 -4.3297 -4.2187 -4.1968 -4.1577 -4.1452 -4.1037 -4.0954 -4.0591 -4.0515 -4.0292 -4.0121 -4.0006 -3.9765 -3.9569 -3.9445 -3.9371 -3.9181 -3.8929 -3.8648 -3.7798 -3.7642 -3.7060 -3.6968 -3.6519 -3.6205 -3.5826 -3.4536 -3.4172 -3.3831 -3.3512 -3.2974 -3.2685 -3.2303 -3.2151 -3.1937 -3.1753 -3.1266 -3.0853 -3.0564 -3.0299 -2.9944 -2.9811 -2.9087 -2.8975 -2.8925 -2.8756 -2.8596 -2.8509 -2.8314 -2.8010 -2.7920 -2.7666 -2.7566 -2.7274 -2.7039 -2.6544 -2.6402 -2.6358 -2.5894 -2.4173 -2.2808 -2.0929 -1.8644 -1.3110 -1.2706 -1.0326 -0.9428 -0.3390 -0.1790 0.3000 0.7270 1.0542 1.1825 1.4949 2.3567 2.7892 3.1201 3.2110 3.4498 3.6567 3.7811 3.8825 4.4476 4.6121 4.7133 5.0160 5.2644 5.7493 6.0171 6.2778 6.5660 6.7767 6.8947 7.1140 7.5719 7.7043 7.8560 8.2619 8.5642 8.7425 8.9808 9.1790 9.3537 9.5400 9.5890 9.6540 9.9304 10.1629 10.3977 10.6090 10.7544 10.8375 10.9469 11.0018 11.1802 11.2420 11.5399 11.5762 11.6797 11.9057 12.0768 12.1981 12.3368 12.4490 12.5752 12.6873 12.9152 13.0584 13.1872 13.3821 13.4955 13.7134 13.8287 13.9446 14.0294 14.0796 14.2164 14.4735 14.6117 14.7342 14.9552 15.2056 15.3948 15.4526 15.6121 15.7805 15.8594 15.9731 16.3228 16.4422 16.7314 16.8825 17.0731 17.2031 17.3002 17.5114 17.5966 17.7172 17.7715 17.9302 18.0212 18.2425 18.3283 18.3681 18.5416 18.6604 18.7677 18.8476 19.0274 19.0872 19.1846 19.2446 19.3470 19.4210 19.5221 19.6120 19.7341 19.8015 19.9518 20.0432 20.0915 20.1852 20.3446 20.4895 20.5982 20.7284 20.8019 21.0077 21.0746 21.1502 21.2677 21.2939 21.4116 21.4779 21.5855 21.7120 21.8767 -13.3129 -9.7182 -8.9074 -7.4276 -7.2471 -6.0946 -5.8402 -5.7398 -5.6802 -5.6453 -5.5955 -5.5769 -5.5207 -5.3896 -5.2838 -5.1975 -5.1819 -5.1723 -5.1448 -5.1074 -4.9982 -4.9091 -4.8188 -4.6337 -4.5686 -4.4740 -4.4178 -4.3296 -4.2191 -4.1964 -4.1577 -4.1459 -4.1037 -4.0951 -4.0587 -4.0516 -4.0289 -4.0122 -4.0006 -3.9761 -3.9571 -3.9444 -3.9370 -3.9183 -3.8929 -3.8648 -3.7802 -3.7637 -3.7062 -3.6968 -3.6521 -3.6205 -3.5825 -3.4539 -3.4173 -3.3830 -3.3511 -3.2970 -3.2691 -3.2299 -3.2150 -3.1936 -3.1754 -3.1265 -3.0852 -3.0568 -3.0297 -2.9945 -2.9812 -2.9086 -2.8975 -2.8924 -2.8756 -2.8596 -2.8510 -2.8313 -2.8008 -2.7917 -2.7666 -2.7567 -2.7275 -2.7041 -2.6539 -2.6402 -2.6358 -2.5894 -2.4184 -2.2811 -2.0938 -1.8638 -1.3099 -1.2702 -1.0325 -0.9422 -0.3390 -0.1794 0.2998 0.7268 1.0521 1.1826 1.4958 2.3575 2.7893 3.1196 3.2117 3.4498 3.6560 3.7816 3.8820 4.4488 4.6120 4.7130 5.0159 5.2643 5.7488 6.0175 6.2782 6.5646 6.7770 6.8941 7.1148 7.5705 7.7047 7.8567 8.2630 8.5639 8.7434 8.9812 9.1792 9.3533 9.5404 9.5877 9.6547 9.9296 10.1624 10.3974 10.6088 10.7554 10.8383 10.9469 11.0017 11.1792 11.2407 11.5389 11.5770 11.6804 11.9065 12.0761 12.1983 12.3359 12.4506 12.5759 12.6881 12.9142 13.0589 13.1884 13.3824 13.4943 13.7120 13.8280 13.9442 14.0294 14.0801 14.2185 14.4728 14.6114 14.7335 14.9552 15.2060 15.3933 15.4520 15.6139 15.7808 15.8581 15.9734 16.3229 16.4441 16.7299 16.8816 17.0732 17.2032 17.3014 17.5097 17.5978 17.7162 17.7714 17.9297 18.0183 18.2448 18.3290 18.3689 18.5411 18.6609 18.7680 18.8473 19.0274 19.0857 19.1845 19.2427 19.3491 19.4197 19.5238 19.6124 19.7363 19.8038 19.9516 20.0438 20.0917 20.1842 20.3428 20.4914 20.5990 20.7273 20.7980 21.0083 21.0751 21.1493 21.2681 21.2957 21.4136 21.4811 21.5835 21.7116 21.8772 -13.2793 -9.3055 -8.5130 -7.4547 -7.0809 -6.3463 -5.8299 -5.7857 -5.6000 -5.5725 -5.4680 -5.4500 -5.4123 -5.3263 -5.1769 -5.1177 -5.0774 -5.0499 -5.0433 -4.9940 -4.8787 -4.8173 -4.7395 -4.6402 -4.6217 -4.5463 -4.4622 -4.4166 -4.3358 -4.3083 -4.2606 -4.2272 -4.2065 -4.1579 -4.1415 -4.1147 -4.0935 -4.0768 -4.0434 -4.0239 -3.9768 -3.9546 -3.9241 -3.9000 -3.8768 -3.8704 -3.8311 -3.8031 -3.7950 -3.7783 -3.7590 -3.6266 -3.6048 -3.5923 -3.5737 -3.5471 -3.4788 -3.4362 -3.3995 -3.3353 -3.3219 -3.2975 -3.2800 -3.2626 -3.2404 -3.2245 -3.1916 -3.1454 -3.1179 -3.0909 -3.0304 -3.0217 -3.0134 -2.9950 -2.9692 -2.9506 -2.9274 -2.9191 -2.8333 -2.8192 -2.8083 -2.8007 -2.7852 -2.7269 -2.6923 -2.6853 -2.4497 -2.4218 -2.2793 -1.9584 -1.6920 -1.2363 -1.1567 -0.7161 -0.5797 -0.0810 0.2191 0.8437 1.3759 2.1578 2.2829 2.8919 3.2448 3.5647 3.6610 3.9602 4.1642 4.3496 4.7799 5.0155 5.1759 5.3949 5.5289 5.6793 6.0592 6.3830 6.5335 6.8096 6.9939 7.2592 7.3751 7.6219 7.9701 8.0434 8.1300 8.2810 8.5194 8.6021 8.7740 8.9889 9.2760 9.3253 9.3919 9.5513 9.7868 10.0891 10.1770 10.2751 10.3770 10.5366 10.5873 10.8041 11.0312 11.1907 11.3688 11.5619 11.7510 11.9436 12.1236 12.4216 12.4701 12.7029 12.9195 13.0031 13.1300 13.3056 13.3583 13.5010 13.6359 13.7971 14.0169 14.2399 14.3067 14.3905 14.4955 14.6444 14.7527 14.8820 14.9392 15.0903 15.2683 15.4615 15.7066 15.8432 15.9827 16.1959 16.2710 16.3586 16.5763 16.6778 16.8426 17.0212 17.1475 17.2212 17.4185 17.5152 17.6011 17.7362 17.8421 17.9784 18.1444 18.2579 18.3849 18.4860 18.6407 18.7644 18.8373 18.9512 19.0599 19.1409 19.3275 19.4186 19.4941 19.6382 19.7637 19.8999 19.9885 20.0555 20.1745 20.3182 20.4240 20.5185 20.6401 20.8133 20.9401 21.0918 21.1439 21.2696 21.4152 21.5271 21.6494 21.7868 21.8187 21.9896 -13.2793 -9.3056 -8.5131 -7.4551 -7.0808 -6.3464 -5.8295 -5.7853 -5.6001 -5.5721 -5.4682 -5.4503 -5.4121 -5.3264 -5.1771 -5.1182 -5.0774 -5.0498 -5.0437 -4.9937 -4.8787 -4.8170 -4.7394 -4.6401 -4.6214 -4.5462 -4.4622 -4.4169 -4.3363 -4.3073 -4.2609 -4.2270 -4.2068 -4.1580 -4.1418 -4.1149 -4.0935 -4.0766 -4.0428 -4.0242 -3.9768 -3.9546 -3.9241 -3.8997 -3.8768 -3.8705 -3.8313 -3.8031 -3.7951 -3.7786 -3.7588 -3.6268 -3.6050 -3.5922 -3.5737 -3.5467 -3.4787 -3.4357 -3.3989 -3.3357 -3.3221 -3.2975 -3.2802 -3.2630 -3.2404 -3.2247 -3.1911 -3.1455 -3.1177 -3.0908 -3.0304 -3.0218 -3.0133 -2.9952 -2.9692 -2.9504 -2.9276 -2.9191 -2.8334 -2.8191 -2.8082 -2.8008 -2.7849 -2.7268 -2.6924 -2.6858 -2.4501 -2.4225 -2.2792 -1.9587 -1.6906 -1.2358 -1.1567 -0.7160 -0.5799 -0.0810 0.2190 0.8448 1.3739 2.1558 2.2831 2.8926 3.2448 3.5643 3.6614 3.9617 4.1644 4.3488 4.7796 5.0169 5.1754 5.3954 5.5301 5.6796 6.0567 6.3827 6.5346 6.8095 6.9926 7.2593 7.3748 7.6220 7.9713 8.0422 8.1310 8.2793 8.5199 8.6031 8.7739 8.9901 9.2765 9.3246 9.3919 9.5502 9.7884 10.0894 10.1757 10.2738 10.3779 10.5372 10.5874 10.8051 11.0307 11.1923 11.3681 11.5602 11.7520 11.9448 12.1210 12.4209 12.4709 12.7031 12.9171 13.0042 13.1294 13.3047 13.3606 13.5010 13.6370 13.7967 14.0195 14.2393 14.3058 14.3906 14.4948 14.6463 14.7505 14.8801 14.9389 15.0916 15.2697 15.4628 15.7067 15.8422 15.9828 16.1953 16.2711 16.3573 16.5760 16.6795 16.8412 17.0187 17.1471 17.2202 17.4204 17.5127 17.6015 17.7355 17.8411 17.9791 18.1448 18.2578 18.3839 18.4858 18.6418 18.7663 18.8362 18.9507 19.0610 19.1409 19.3284 19.4188 19.4939 19.6374 19.7648 19.8990 19.9893 20.0575 20.1731 20.3175 20.4240 20.5216 20.6403 20.8128 20.9427 21.0918 21.1437 21.2679 21.4158 21.5275 21.6489 21.7867 21.8209 21.9897 -13.2522 -8.6847 -7.9785 -7.8650 -7.1245 -6.5936 -6.1215 -5.5329 -5.4749 -5.4533 -5.3529 -5.2813 -5.2568 -5.1964 -5.0892 -5.0688 -5.0336 -4.9053 -4.8846 -4.8501 -4.7972 -4.7832 -4.6839 -4.6606 -4.5981 -4.5699 -4.5396 -4.5138 -4.4700 -4.4114 -4.3892 -4.3394 -4.3298 -4.2850 -4.2622 -4.2295 -4.2041 -4.1761 -4.1335 -4.0614 -4.0458 -3.9982 -3.9740 -3.9429 -3.8779 -3.8219 -3.8058 -3.7931 -3.7874 -3.7602 -3.7417 -3.7216 -3.6845 -3.6463 -3.6301 -3.6064 -3.5914 -3.5693 -3.5602 -3.5337 -3.4661 -3.4250 -3.4108 -3.3613 -3.3496 -3.3373 -3.3098 -3.2980 -3.2464 -3.2039 -3.1939 -3.1826 -3.1747 -3.1237 -3.0545 -3.0337 -2.9994 -2.9807 -2.9557 -2.8568 -2.8062 -2.8005 -2.7836 -2.7698 -2.6916 -2.6857 -2.6451 -2.4592 -2.1073 -2.0141 -1.5197 -1.3291 -1.1327 -0.8725 -0.4097 -0.0785 0.4703 0.7918 1.4376 2.0292 2.7994 3.2123 4.0100 4.2067 4.4859 4.5409 4.8221 5.0433 5.1615 5.3624 5.5765 5.8966 6.0405 6.2234 6.3065 6.5231 6.7111 6.8876 7.0938 7.2312 7.4455 7.5544 7.7238 7.8781 8.0321 8.2373 8.4064 8.6282 8.7310 8.8447 8.8936 9.0557 9.3100 9.3737 9.5535 9.7921 9.8491 10.1051 10.2823 10.4960 10.6655 10.7382 10.8733 11.0543 11.2377 11.3380 11.4935 11.7039 11.9516 12.1336 12.1970 12.3289 12.4215 12.5107 12.7318 13.0372 13.2245 13.4823 13.8257 13.9617 14.0877 14.1655 14.2936 14.4463 14.6464 14.8101 14.9590 15.0517 15.2201 15.3703 15.4547 15.6249 15.6655 15.7964 15.9445 16.1595 16.2513 16.3404 16.5142 16.6128 16.7636 16.8515 16.9711 17.0289 17.2188 17.3420 17.4092 17.5462 17.6858 17.8223 18.0580 18.1545 18.2553 18.3125 18.4507 18.5390 18.6241 18.7218 18.7410 18.8473 19.0184 19.1085 19.2259 19.3733 19.4047 19.5797 19.7033 19.8378 19.9022 20.1008 20.2068 20.3600 20.3942 20.5505 20.6369 20.7652 20.9294 20.9868 21.1327 21.2966 21.3974 21.5588 21.6048 21.8473 -13.2521 -8.6847 -7.9789 -7.8652 -7.1245 -6.5935 -6.1211 -5.5329 -5.4746 -5.4535 -5.3529 -5.2815 -5.2570 -5.1966 -5.0894 -5.0687 -5.0334 -4.9055 -4.8845 -4.8500 -4.7966 -4.7832 -4.6837 -4.6609 -4.5980 -4.5697 -4.5396 -4.5132 -4.4697 -4.4117 -4.3890 -4.3392 -4.3293 -4.2851 -4.2623 -4.2293 -4.2039 -4.1766 -4.1347 -4.0622 -4.0456 -3.9981 -3.9742 -3.9428 -3.8785 -3.8215 -3.8057 -3.7926 -3.7876 -3.7603 -3.7418 -3.7216 -3.6842 -3.6464 -3.6302 -3.6062 -3.5909 -3.5691 -3.5604 -3.5337 -3.4665 -3.4242 -3.4107 -3.3613 -3.3494 -3.3372 -3.3098 -3.2980 -3.2468 -3.2040 -3.1937 -3.1825 -3.1746 -3.1236 -3.0547 -3.0340 -2.9992 -2.9809 -2.9562 -2.8569 -2.8063 -2.8005 -2.7833 -2.7697 -2.6919 -2.6862 -2.6452 -2.4595 -2.1072 -2.0142 -1.5191 -1.3291 -1.1327 -0.8723 -0.4087 -0.0789 0.4702 0.7919 1.4364 2.0287 2.7982 3.2120 4.0099 4.2070 4.4863 4.5405 4.8227 5.0441 5.1612 5.3611 5.5759 5.8979 6.0403 6.2244 6.3076 6.5240 6.7117 6.8890 7.0944 7.2289 7.4450 7.5560 7.7263 7.8749 8.0315 8.2372 8.4058 8.6259 8.7307 8.8429 8.8942 9.0547 9.3109 9.3745 9.5522 9.7952 9.8505 10.1053 10.2811 10.4974 10.6652 10.7358 10.8742 11.0537 11.2379 11.3393 11.4926 11.7060 11.9515 12.1341 12.2007 12.3285 12.4207 12.5087 12.7291 13.0397 13.2259 13.4808 13.8268 13.9608 14.0889 14.1657 14.2937 14.4454 14.6451 14.8081 14.9571 15.0526 15.2204 15.3722 15.4528 15.6257 15.6669 15.7927 15.9445 16.1592 16.2522 16.3399 16.5146 16.6121 16.7644 16.8518 16.9715 17.0295 17.2183 17.3419 17.4086 17.5473 17.6849 17.8194 18.0570 18.1538 18.2545 18.3130 18.4487 18.5409 18.6241 18.7206 18.7407 18.8464 19.0185 19.1099 19.2261 19.3729 19.4046 19.5802 19.7030 19.8396 19.9036 20.1012 20.2062 20.3600 20.3928 20.5534 20.6357 20.7668 20.9331 20.9880 21.1334 21.2953 21.3962 21.5608 21.6081 21.8471 -13.3109 -9.7275 -8.9198 -7.4442 -7.1781 -6.1173 -5.8716 -5.7001 -5.6913 -5.6487 -5.5985 -5.5802 -5.5450 -5.3339 -5.3043 -5.1953 -5.1752 -5.1749 -5.1586 -5.0964 -5.0012 -4.9199 -4.8127 -4.6340 -4.5873 -4.4701 -4.4117 -4.3164 -4.2297 -4.1861 -4.1557 -4.1494 -4.1174 -4.1028 -4.0825 -4.0404 -4.0061 -4.0000 -3.9902 -3.9700 -3.9697 -3.9573 -3.9331 -3.9060 -3.9028 -3.8398 -3.8049 -3.7729 -3.7085 -3.7040 -3.6463 -3.6359 -3.5595 -3.4436 -3.4086 -3.3938 -3.3373 -3.3046 -3.2646 -3.2619 -3.2350 -3.2011 -3.1777 -3.1223 -3.1019 -3.0364 -3.0148 -2.9917 -2.9658 -2.9069 -2.8947 -2.8860 -2.8772 -2.8624 -2.8475 -2.8264 -2.7999 -2.7829 -2.7772 -2.7467 -2.7251 -2.7184 -2.6657 -2.6420 -2.6313 -2.5893 -2.4102 -2.3616 -2.0987 -1.7784 -1.2966 -1.2258 -1.0540 -0.8054 -0.5211 -0.1227 0.4073 0.4922 1.0398 1.1669 1.5889 2.2489 2.9271 3.0988 3.1854 3.4433 3.6233 3.7909 3.9236 4.3922 4.5404 4.8835 4.9901 5.3016 5.7098 6.0631 6.2649 6.5051 6.7142 7.0181 7.1710 7.5157 7.7179 7.7241 8.3290 8.5373 8.7468 8.8989 9.2565 9.3389 9.5944 9.6604 9.7879 9.8317 10.1330 10.4261 10.5153 10.5706 10.7969 10.9743 11.0228 11.0887 11.1832 11.4741 11.5979 11.9445 12.1021 12.1631 12.2343 12.4071 12.4478 12.5746 12.7380 12.7670 12.9969 13.1870 13.3513 13.5893 13.6042 13.8140 13.9517 13.9682 14.0650 14.2320 14.4208 14.4903 14.8587 15.0832 15.1278 15.3940 15.5625 15.6214 15.7887 15.9305 16.0581 16.2084 16.4693 16.7811 16.8667 17.0759 17.1625 17.2141 17.3869 17.4838 17.6931 17.7559 17.8448 18.0250 18.2198 18.3909 18.4102 18.5989 18.7398 18.8099 18.8815 19.0017 19.0314 19.1952 19.2510 19.3821 19.4451 19.6378 19.6627 19.7308 19.7792 19.8624 19.9831 20.0815 20.2288 20.2833 20.4889 20.4968 20.6386 20.9535 20.9744 21.0900 21.1214 21.1361 21.2989 21.4213 21.4327 21.7509 21.8752 21.9619 -13.2853 -9.4630 -8.6681 -7.2419 -7.2188 -6.0430 -5.9574 -5.8941 -5.6823 -5.6366 -5.5119 -5.4684 -5.4288 -5.3063 -5.2204 -5.1245 -5.1009 -5.0945 -5.0826 -5.0066 -4.9141 -4.8627 -4.7469 -4.6458 -4.6191 -4.5151 -4.4523 -4.3825 -4.3362 -4.2677 -4.2301 -4.1725 -4.1611 -4.1255 -4.0965 -4.0720 -4.0593 -4.0348 -4.0273 -4.0083 -3.9919 -3.9737 -3.9494 -3.9149 -3.8803 -3.8740 -3.8504 -3.8299 -3.7956 -3.7223 -3.6895 -3.6272 -3.6071 -3.5796 -3.5351 -3.5216 -3.4624 -3.3949 -3.3561 -3.3008 -3.2951 -3.2545 -3.2151 -3.2010 -3.1881 -3.1756 -3.1576 -3.1223 -3.0899 -3.0393 -2.9819 -2.9755 -2.9661 -2.9424 -2.9159 -2.9010 -2.8811 -2.8680 -2.8523 -2.8175 -2.8068 -2.7365 -2.7201 -2.7109 -2.6815 -2.5857 -2.4438 -2.3084 -2.2643 -2.0768 -1.9435 -1.2713 -1.1519 -0.6760 -0.2346 0.1253 0.3775 0.6607 1.2693 1.5258 1.9205 2.6788 3.3128 3.5771 3.5965 3.8744 3.9704 4.2901 4.4530 4.7776 4.9567 5.1441 5.3357 5.6214 5.9531 6.2142 6.4665 6.6580 7.0227 7.2893 7.3822 7.5065 7.7322 7.9745 8.1109 8.3501 8.5236 8.5856 8.7096 9.1214 9.2885 9.4341 9.5643 9.8966 9.9741 10.2526 10.4408 10.4792 10.6941 10.8476 10.9863 11.1801 11.2535 11.3467 11.4622 11.5328 11.6845 11.8506 12.1024 12.2307 12.3356 12.4677 12.6481 12.8178 13.1123 13.2772 13.4632 13.5669 13.6800 13.7839 13.9770 14.0203 14.2465 14.3863 14.5214 14.6647 14.7331 14.8596 14.9990 15.2031 15.4823 15.6078 15.7364 15.8498 15.9867 16.0562 16.1745 16.2795 16.4913 16.6349 16.7868 16.9340 16.9657 17.2524 17.3664 17.4698 17.6260 17.7859 18.0391 18.1440 18.2734 18.3791 18.4510 18.6310 18.7103 18.8806 19.0182 19.1185 19.1935 19.2580 19.3733 19.5348 19.5589 19.8045 19.8796 19.9792 20.0909 20.1854 20.3643 20.4812 20.5788 20.6065 20.7591 20.9169 21.2106 21.2490 21.3193 21.3669 21.4456 21.5499 21.6593 21.7339 21.8882 21.9567 -13.2853 -9.4630 -8.6681 -7.2418 -7.2192 -6.0430 -5.9578 -5.8941 -5.6821 -5.6360 -5.5120 -5.4679 -5.4290 -5.3059 -5.2208 -5.1250 -5.1011 -5.0946 -5.0825 -5.0063 -4.9143 -4.8625 -4.7468 -4.6457 -4.6189 -4.5152 -4.4518 -4.3827 -4.3366 -4.2676 -4.2306 -4.1728 -4.1610 -4.1253 -4.0965 -4.0722 -4.0591 -4.0343 -4.0273 -4.0085 -3.9916 -3.9727 -3.9492 -3.9149 -3.8808 -3.8737 -3.8506 -3.8299 -3.7955 -3.7227 -3.6901 -3.6274 -3.6071 -3.5794 -3.5352 -3.5213 -3.4622 -3.3946 -3.3557 -3.3010 -3.2954 -3.2550 -3.2152 -3.2010 -3.1880 -3.1760 -3.1576 -3.1223 -3.0896 -3.0394 -2.9819 -2.9755 -2.9660 -2.9423 -2.9160 -2.9011 -2.8809 -2.8680 -2.8524 -2.8174 -2.8064 -2.7367 -2.7206 -2.7109 -2.6815 -2.5854 -2.4443 -2.3089 -2.2648 -2.0771 -1.9431 -1.2695 -1.1525 -0.6759 -0.2328 0.1264 0.3760 0.6587 1.2674 1.5267 1.9190 2.6808 3.3126 3.5766 3.5989 3.8748 3.9694 4.2895 4.4526 4.7782 4.9570 5.1441 5.3368 5.6217 5.9521 6.2113 6.4666 6.6591 7.0220 7.2901 7.3821 7.5064 7.7322 7.9748 8.1102 8.3507 8.5245 8.5862 8.7072 9.1250 9.2869 9.4341 9.5643 9.8970 9.9736 10.2542 10.4400 10.4799 10.6927 10.8475 10.9863 11.1782 11.2537 11.3466 11.4630 11.5331 11.6836 11.8530 12.1023 12.2310 12.3360 12.4671 12.6482 12.8169 13.1109 13.2778 13.4646 13.5690 13.6776 13.7819 13.9778 14.0204 14.2457 14.3862 14.5223 14.6647 14.7336 14.8597 14.9992 15.2020 15.4817 15.6083 15.7355 15.8489 15.9887 16.0569 16.1740 16.2788 16.4901 16.6348 16.7879 16.9349 16.9651 17.2520 17.3660 17.4706 17.6273 17.7844 18.0391 18.1421 18.2745 18.3776 18.4521 18.6300 18.7102 18.8780 19.0184 19.1187 19.1932 19.2573 19.3756 19.5347 19.5591 19.8057 19.8800 19.9788 20.0930 20.1852 20.3670 20.4822 20.5792 20.6064 20.7579 20.9158 21.2118 21.2481 21.3179 21.3670 21.4438 21.5499 21.6594 21.7353 21.8886 21.9562 -13.2554 -8.9650 -8.1730 -7.5410 -6.8357 -6.6268 -6.0711 -5.8612 -5.7121 -5.4918 -5.3600 -5.2876 -5.2390 -5.1967 -5.1203 -5.0285 -4.9807 -4.9594 -4.9267 -4.8923 -4.8055 -4.7736 -4.6850 -4.6391 -4.5960 -4.5640 -4.5521 -4.4816 -4.4335 -4.4091 -4.3760 -4.3361 -4.2995 -4.2635 -4.2303 -4.2137 -4.1607 -4.1469 -4.0759 -4.0361 -4.0218 -3.9886 -3.9700 -3.9379 -3.8963 -3.8578 -3.8451 -3.8234 -3.8137 -3.7835 -3.7508 -3.6957 -3.6587 -3.6361 -3.6248 -3.5876 -3.5485 -3.5268 -3.5140 -3.4825 -3.4596 -3.3878 -3.3508 -3.3382 -3.3197 -3.2874 -3.2778 -3.2194 -3.1917 -3.1746 -3.1428 -3.1204 -3.0997 -3.0714 -3.0140 -2.9839 -2.9234 -2.8836 -2.8701 -2.8606 -2.8391 -2.8176 -2.7937 -2.7426 -2.7300 -2.7243 -2.6154 -2.4321 -2.2909 -2.1058 -1.9290 -1.6219 -1.1336 -0.3784 -0.2094 0.2202 0.5847 1.0229 1.6532 1.9669 2.3519 2.7131 3.5257 3.8038 4.0491 4.3529 4.4625 5.0595 5.2231 5.4882 5.5970 5.7867 5.9007 6.1473 6.2287 6.3941 6.7134 6.8045 7.0290 7.1852 7.3575 7.5564 7.6517 7.8279 7.9063 8.1492 8.4581 8.5245 8.8304 9.0631 9.1949 9.2657 9.4726 9.6062 9.8373 9.9575 10.0841 10.2700 10.3178 10.5961 10.8229 10.9578 11.1015 11.3936 11.5413 11.6644 11.8041 11.9118 12.1700 12.2378 12.4404 12.5546 12.6232 12.6469 12.8624 13.0632 13.1901 13.2530 13.4158 13.5536 13.7867 13.9072 14.1055 14.2435 14.3644 14.5351 14.6140 14.7797 14.9269 15.0379 15.1703 15.3608 15.3929 15.5517 15.7683 15.8742 15.9707 16.1925 16.3104 16.4139 16.6195 16.7068 16.8023 17.0754 17.1675 17.2921 17.3533 17.5107 17.6477 17.7465 18.0322 18.1555 18.2614 18.3679 18.5465 18.7220 18.8191 18.9733 19.1151 19.2524 19.3018 19.3737 19.4582 19.6838 19.7835 19.8983 20.0481 20.1914 20.3029 20.3944 20.5389 20.6511 20.8028 20.9355 20.9777 21.0261 21.1668 21.2290 21.3854 21.5413 21.6303 21.9180 22.0034 22.1109 -13.2554 -8.9651 -8.1730 -7.5414 -6.8357 -6.6269 -6.0710 -5.8606 -5.7122 -5.4919 -5.3598 -5.2876 -5.2391 -5.1965 -5.1203 -5.0291 -4.9807 -4.9599 -4.9266 -4.8919 -4.8050 -4.7737 -4.6844 -4.6399 -4.5958 -4.5634 -4.5521 -4.4822 -4.4334 -4.4091 -4.3758 -4.3359 -4.2993 -4.2635 -4.2313 -4.2135 -4.1604 -4.1469 -4.0758 -4.0360 -4.0227 -3.9885 -3.9700 -3.9380 -3.8962 -3.8576 -3.8445 -3.8231 -3.8133 -3.7839 -3.7506 -3.6959 -3.6587 -3.6363 -3.6248 -3.5878 -3.5487 -3.5267 -3.5141 -3.4820 -3.4596 -3.3867 -3.3510 -3.3385 -3.3194 -3.2878 -3.2781 -3.2197 -3.1915 -3.1749 -3.1429 -3.1202 -3.0996 -3.0713 -3.0142 -2.9840 -2.9236 -2.8836 -2.8701 -2.8605 -2.8389 -2.8177 -2.7935 -2.7429 -2.7302 -2.7244 -2.6154 -2.4324 -2.2910 -2.1057 -1.9294 -1.6210 -1.1332 -0.3779 -0.2093 0.2204 0.5856 1.0215 1.6524 1.9661 2.3496 2.7142 3.5262 3.8037 4.0496 4.3546 4.4628 5.0598 5.2237 5.4874 5.5953 5.7864 5.9031 6.1476 6.2292 6.3927 6.7136 6.8055 7.0284 7.1850 7.3571 7.5552 7.6508 7.8280 7.9056 8.1495 8.4578 8.5249 8.8300 9.0639 9.1964 9.2684 9.4724 9.6044 9.8367 9.9576 10.0842 10.2698 10.3192 10.5952 10.8219 10.9573 11.1016 11.3944 11.5406 11.6666 11.8036 11.9119 12.1700 12.2378 12.4411 12.5538 12.6224 12.6476 12.8631 13.0629 13.1919 13.2524 13.4143 13.5536 13.7869 13.9061 14.1043 14.2433 14.3649 14.5354 14.6163 14.7803 14.9278 15.0368 15.1701 15.3587 15.3926 15.5512 15.7694 15.8719 15.9707 16.1926 16.3106 16.4146 16.6193 16.7053 16.8023 17.0758 17.1680 17.2931 17.3539 17.5110 17.6480 17.7437 18.0320 18.1557 18.2598 18.3692 18.5476 18.7195 18.8184 18.9717 19.1143 19.2532 19.3023 19.3728 19.4605 19.6865 19.7826 19.8991 20.0482 20.1927 20.3039 20.3934 20.5369 20.6521 20.8036 20.9351 20.9771 21.0284 21.1679 21.2294 21.3837 21.5413 21.6312 21.9188 22.0021 22.1121 -13.2438 -8.3792 -8.1364 -7.4723 -7.4076 -6.3766 -6.2464 -6.0586 -5.5868 -5.3604 -5.2800 -5.1380 -5.1052 -5.0843 -5.0576 -5.0152 -4.9734 -4.8571 -4.8448 -4.7912 -4.7475 -4.7327 -4.7099 -4.6684 -4.6168 -4.6110 -4.5892 -4.5422 -4.5144 -4.4517 -4.4437 -4.4014 -4.3699 -4.3415 -4.2799 -4.2648 -4.2061 -4.1889 -4.1685 -4.1366 -4.0423 -4.0134 -3.9833 -3.9706 -3.9444 -3.9341 -3.8807 -3.8378 -3.7890 -3.7734 -3.7484 -3.7344 -3.7287 -3.7149 -3.6799 -3.6480 -3.5440 -3.5283 -3.5132 -3.4875 -3.4617 -3.4465 -3.3977 -3.3859 -3.3647 -3.3531 -3.3190 -3.2799 -3.2346 -3.2152 -3.1787 -3.1632 -3.1198 -3.0963 -3.0892 -3.0203 -2.9989 -2.9958 -2.9418 -2.8635 -2.8500 -2.8260 -2.8181 -2.7502 -2.7355 -2.7191 -2.6293 -2.6068 -2.2365 -2.0323 -2.0075 -1.5406 -1.0126 -0.7671 -0.0448 0.2158 0.7692 1.2616 1.5156 2.1024 2.7037 3.6733 3.8018 4.0431 4.1351 4.5644 4.7308 4.8477 4.9822 5.1068 5.4773 5.8562 6.1322 6.2361 6.4638 6.6678 6.8417 6.9956 7.1248 7.2801 7.4063 7.6552 7.8683 8.0900 8.1960 8.4783 8.5073 8.7310 8.8462 8.9668 9.0685 9.3748 9.5104 9.5628 9.6473 9.8530 9.9956 10.2240 10.3336 10.4867 10.6641 10.7919 11.0870 11.2782 11.3063 11.4614 11.5278 11.6630 11.9327 12.0772 12.1997 12.3197 12.5385 12.7357 12.8354 12.9061 13.2271 13.2933 13.5295 13.6041 13.6680 13.7930 14.0467 14.1074 14.2436 14.4192 14.5284 14.6233 14.8506 15.0100 15.1308 15.3502 15.4867 15.5577 15.6904 15.8665 15.9081 15.9513 16.1464 16.3539 16.3926 16.5847 16.7750 16.8566 17.0064 17.1708 17.2956 17.4497 17.5565 17.7189 17.9342 18.1489 18.3009 18.4053 18.6032 18.7309 18.8644 18.9915 19.0669 19.2542 19.3946 19.5704 19.6326 19.7316 19.8481 20.0263 20.0950 20.1536 20.2342 20.3031 20.4063 20.4516 20.5829 20.7296 20.7972 20.8993 21.0680 21.2190 21.3537 21.4366 21.4595 21.5492 21.6859 21.8020 -13.2437 -8.3790 -8.1370 -7.4723 -7.4076 -6.3763 -6.2463 -6.0585 -5.5870 -5.3605 -5.2797 -5.1381 -5.1055 -5.0843 -5.0581 -5.0149 -4.9730 -4.8567 -4.8449 -4.7912 -4.7478 -4.7323 -4.7103 -4.6688 -4.6166 -4.6108 -4.5891 -4.5418 -4.5137 -4.4514 -4.4435 -4.4014 -4.3695 -4.3423 -4.2800 -4.2648 -4.2062 -4.1890 -4.1688 -4.1368 -4.0424 -4.0137 -3.9834 -3.9706 -3.9441 -3.9339 -3.8813 -3.8379 -3.7889 -3.7733 -3.7480 -3.7345 -3.7282 -3.7151 -3.6793 -3.6489 -3.5436 -3.5285 -3.5132 -3.4872 -3.4612 -3.4468 -3.3977 -3.3858 -3.3649 -3.3529 -3.3194 -3.2797 -3.2345 -3.2149 -3.1789 -3.1629 -3.1199 -3.0965 -3.0895 -3.0203 -2.9989 -2.9958 -2.9421 -2.8636 -2.8500 -2.8258 -2.8178 -2.7505 -2.7361 -2.7194 -2.6292 -2.6065 -2.2365 -2.0318 -2.0078 -1.5407 -1.0129 -0.7660 -0.0439 0.2154 0.7687 1.2617 1.5152 2.1017 2.7024 3.6734 3.8006 4.0437 4.1364 4.5632 4.7309 4.8500 4.9806 5.1076 5.4770 5.8563 6.1318 6.2369 6.4641 6.6678 6.8420 6.9960 7.1259 7.2814 7.4051 7.6560 7.8681 8.0897 8.1962 8.4766 8.5052 8.7296 8.8469 8.9664 9.0695 9.3745 9.5126 9.5612 9.6474 9.8541 9.9932 10.2227 10.3351 10.4862 10.6654 10.7930 11.0873 11.2780 11.3051 11.4624 11.5273 11.6622 11.9351 12.0788 12.1987 12.3191 12.5393 12.7362 12.8356 12.9060 13.2276 13.2932 13.5294 13.6038 13.6676 13.7932 14.0477 14.1069 14.2442 14.4193 14.5265 14.6221 14.8515 15.0095 15.1322 15.3488 15.4845 15.5563 15.6888 15.8679 15.9090 15.9529 16.1465 16.3515 16.3917 16.5859 16.7751 16.8567 17.0068 17.1686 17.2947 17.4507 17.5589 17.7164 17.9352 18.1499 18.2993 18.4063 18.6023 18.7301 18.8649 18.9909 19.0678 19.2522 19.3951 19.5715 19.6315 19.7310 19.8495 20.0286 20.0959 20.1541 20.2340 20.3021 20.4068 20.4513 20.5819 20.7291 20.7962 20.9002 21.0672 21.2205 21.3539 21.4392 21.4597 21.5510 21.6864 21.8003 -13.2592 -8.8943 -8.1166 -7.7552 -6.7441 -6.6598 -6.0807 -5.8923 -5.5805 -5.5426 -5.3619 -5.2944 -5.2272 -5.2031 -5.1138 -5.0260 -4.9943 -4.9508 -4.9302 -4.9042 -4.7938 -4.7772 -4.7094 -4.6205 -4.6054 -4.5777 -4.5228 -4.4820 -4.4270 -4.3931 -4.3782 -4.3501 -4.2945 -4.2747 -4.2586 -4.2018 -4.1795 -4.1402 -4.0866 -4.0316 -4.0080 -3.9966 -3.9634 -3.9240 -3.8881 -3.8612 -3.8314 -3.8179 -3.8051 -3.7762 -3.7453 -3.6836 -3.6583 -3.6366 -3.6148 -3.5699 -3.5472 -3.5279 -3.5106 -3.4823 -3.4588 -3.4381 -3.3556 -3.3211 -3.3070 -3.2948 -3.2804 -3.2244 -3.1951 -3.1676 -3.1422 -3.1223 -3.1095 -3.0811 -3.0118 -2.9814 -2.9222 -2.8908 -2.8774 -2.8638 -2.8342 -2.8173 -2.8002 -2.7378 -2.7328 -2.7239 -2.6432 -2.4401 -2.2443 -2.1004 -1.9411 -1.5034 -1.3363 -0.5531 -0.0540 0.2644 0.5075 1.0935 1.6281 2.0022 2.3841 2.9818 3.2729 3.9584 4.0090 4.3395 4.5489 4.9683 5.1643 5.5419 5.6360 5.7565 5.9433 5.9978 6.2293 6.4086 6.6335 6.8717 7.0510 7.2286 7.3140 7.5431 7.5960 7.8587 7.9391 8.0836 8.4365 8.6008 8.7919 8.9669 9.0977 9.2853 9.4825 9.6055 9.9003 9.9968 10.2225 10.2798 10.4821 10.5638 10.7717 10.8262 11.1095 11.3170 11.5141 11.6134 11.8108 11.8849 12.1500 12.2641 12.4072 12.5121 12.6646 12.7417 12.8669 13.1387 13.1560 13.2658 13.4945 13.6065 13.8229 13.9661 14.0887 14.3063 14.5050 14.5673 14.5859 14.6972 14.7709 14.9229 15.0415 15.1878 15.4278 15.4648 15.7885 15.9696 15.9940 16.1227 16.3756 16.4847 16.5181 16.7786 16.8587 17.0713 17.1150 17.1981 17.3643 17.5643 17.6594 17.7930 17.9498 18.1001 18.2931 18.4042 18.5531 18.7316 18.8074 18.9852 19.1523 19.1991 19.3689 19.4709 19.5904 19.7165 19.8860 19.9692 20.0376 20.1230 20.2935 20.3665 20.4848 20.6111 20.7560 20.8580 20.9797 21.0292 21.1539 21.3486 21.4650 21.6004 21.7021 21.8722 21.9587 21.9869 -13.2592 -8.8943 -8.1167 -7.7554 -6.7441 -6.6599 -6.0805 -5.8918 -5.5810 -5.5427 -5.3618 -5.2945 -5.2272 -5.2031 -5.1136 -5.0264 -4.9942 -4.9509 -4.9302 -4.9042 -4.7937 -4.7768 -4.7094 -4.6209 -4.6051 -4.5774 -4.5228 -4.4820 -4.4266 -4.3931 -4.3787 -4.3500 -4.2943 -4.2747 -4.2587 -4.2014 -4.1797 -4.1404 -4.0869 -4.0321 -4.0076 -3.9967 -3.9638 -3.9241 -3.8882 -3.8615 -3.8310 -3.8179 -3.8049 -3.7762 -3.7452 -3.6837 -3.6583 -3.6365 -3.6149 -3.5697 -3.5474 -3.5276 -3.5105 -3.4823 -3.4588 -3.4382 -3.3556 -3.3211 -3.3070 -3.2948 -3.2800 -3.2246 -3.1951 -3.1674 -3.1423 -3.1221 -3.1096 -3.0811 -3.0118 -2.9813 -2.9224 -2.8908 -2.8777 -2.8640 -2.8341 -2.8171 -2.8000 -2.7381 -2.7329 -2.7240 -2.6433 -2.4403 -2.2439 -2.1004 -1.9414 -1.5020 -1.3374 -0.5529 -0.0536 0.2645 0.5080 1.0927 1.6272 2.0026 2.3843 2.9812 3.2720 3.9587 4.0093 4.3397 4.5492 4.9680 5.1644 5.5406 5.6359 5.7565 5.9431 5.9994 6.2303 6.4089 6.6343 6.8727 7.0512 7.2279 7.3125 7.5427 7.5954 7.8582 7.9388 8.0850 8.4362 8.6014 8.7897 8.9697 9.0958 9.2856 9.4830 9.6030 9.9025 9.9987 10.2229 10.2797 10.4818 10.5635 10.7712 10.8256 11.1082 11.3182 11.5134 11.6146 11.8100 11.8855 12.1506 12.2643 12.4066 12.5122 12.6638 12.7407 12.8688 13.1365 13.1570 13.2646 13.4960 13.6060 13.8252 13.9654 14.0889 14.3049 14.5060 14.5689 14.5849 14.6976 14.7712 14.9217 15.0429 15.1879 15.4286 15.4653 15.7869 15.9680 15.9934 16.1221 16.3759 16.4840 16.5163 16.7793 16.8591 17.0718 17.1129 17.1972 17.3644 17.5662 17.6601 17.7923 17.9504 18.0999 18.2930 18.4053 18.5526 18.7302 18.8056 18.9862 19.1513 19.2000 19.3694 19.4698 19.5917 19.7173 19.8872 19.9702 20.0369 20.1224 20.2915 20.3685 20.4852 20.6109 20.7568 20.8589 20.9813 21.0283 21.1540 21.3475 21.4622 21.6004 21.7027 21.8726 21.9607 21.9870 -13.2900 -9.4306 -8.6308 -7.4182 -7.1770 -5.9877 -5.9531 -5.8840 -5.6867 -5.6123 -5.5462 -5.4303 -5.4100 -5.3684 -5.2120 -5.1267 -5.1102 -5.0867 -5.0691 -5.0231 -4.9112 -4.8292 -4.7747 -4.6349 -4.6111 -4.5301 -4.4447 -4.4054 -4.2817 -4.2685 -4.2267 -4.2049 -4.1863 -4.1170 -4.1107 -4.0934 -4.0580 -4.0497 -4.0380 -4.0179 -3.9714 -3.9630 -3.9414 -3.8953 -3.8575 -3.8502 -3.8405 -3.8351 -3.7994 -3.7278 -3.7146 -3.6197 -3.6068 -3.5579 -3.5356 -3.4780 -3.4513 -3.4261 -3.3485 -3.3152 -3.2859 -3.2445 -3.2113 -3.2070 -3.1821 -3.1726 -3.1639 -3.1314 -3.0976 -3.0302 -2.9816 -2.9728 -2.9662 -2.9368 -2.9287 -2.9074 -2.8867 -2.8822 -2.8459 -2.8224 -2.8116 -2.7306 -2.7191 -2.7136 -2.6881 -2.6175 -2.3939 -2.3030 -2.2462 -2.0455 -1.8594 -1.6563 -1.0317 -0.7275 -0.2413 -0.0559 0.5662 1.0674 1.1101 1.3697 2.0763 2.8118 3.2523 3.4402 3.6098 3.8131 4.0447 4.2809 4.4592 4.8289 4.9207 5.1109 5.3619 5.5002 5.9665 6.2229 6.4963 6.8620 6.9375 7.2033 7.2926 7.5494 7.7401 8.0321 8.1799 8.2731 8.3877 8.5381 8.7621 9.0617 9.3540 9.5509 9.5640 9.8575 10.0615 10.2814 10.4729 10.5318 10.6234 10.7807 10.9925 11.2228 11.2542 11.3226 11.3871 11.5220 11.7053 11.8300 12.1502 12.2150 12.2762 12.4056 12.6603 12.8343 13.0824 13.2696 13.3510 13.4379 13.5878 13.8485 13.9516 14.1433 14.1613 14.4972 14.6889 14.7646 14.8067 14.8519 15.1660 15.2739 15.3873 15.4569 15.6455 15.7975 15.9274 16.0767 16.1311 16.2084 16.4331 16.6475 16.7970 16.9412 17.1273 17.2274 17.3732 17.4133 17.5730 17.7593 17.9917 18.0714 18.1908 18.3919 18.4754 18.5843 18.7819 18.9055 19.1280 19.2503 19.2751 19.3620 19.4182 19.5957 19.7139 19.7649 19.9036 19.9800 20.0680 20.2047 20.3188 20.3583 20.5298 20.6875 20.7730 20.8233 21.1319 21.3044 21.3588 21.3958 21.4968 21.5983 21.7217 21.8123 21.8955 22.0086 -13.2726 -9.3605 -8.5692 -7.1941 -7.1088 -6.3990 -5.9946 -5.7298 -5.5770 -5.5700 -5.5241 -5.4376 -5.4344 -5.2277 -5.1937 -5.1126 -5.0866 -5.0495 -5.0474 -4.9528 -4.9084 -4.8470 -4.7076 -4.6693 -4.6116 -4.5114 -4.4510 -4.4362 -4.3945 -4.2997 -4.2470 -4.2103 -4.1844 -4.1647 -4.1212 -4.0880 -4.0862 -4.0590 -4.0441 -4.0211 -4.0142 -3.9668 -3.9453 -3.9163 -3.8751 -3.8745 -3.8440 -3.8076 -3.8044 -3.7765 -3.7135 -3.6714 -3.6234 -3.5975 -3.5814 -3.5519 -3.4678 -3.4454 -3.3820 -3.3564 -3.3258 -3.2862 -3.2813 -3.2700 -3.2458 -3.2167 -3.1666 -3.1338 -3.1283 -3.0958 -3.0316 -3.0246 -3.0072 -3.0063 -2.9565 -2.9461 -2.9180 -2.9127 -2.8265 -2.8166 -2.8021 -2.7911 -2.7743 -2.7201 -2.7056 -2.6743 -2.5129 -2.4458 -2.2885 -1.9262 -1.4920 -1.2785 -1.1591 -0.6475 -0.6435 -0.0671 0.1861 0.7572 1.4385 1.8918 2.2941 2.8450 3.3791 3.5725 3.7002 3.9822 4.1770 4.2070 4.7942 4.9838 5.2251 5.3696 5.5378 5.7444 6.1663 6.3848 6.4608 6.7961 6.9851 7.3729 7.4059 7.6304 7.7028 8.0833 8.1839 8.3391 8.4941 8.6767 8.8420 8.9562 9.2644 9.3440 9.3589 9.5906 9.8363 9.8605 10.0524 10.1937 10.3270 10.5016 10.7707 10.8391 11.1217 11.3391 11.4259 11.7756 11.8219 11.9029 12.0561 12.2845 12.4272 12.6712 12.8445 12.9029 13.1886 13.2614 13.3070 13.6249 13.7726 13.8770 14.0137 14.2925 14.4007 14.4598 14.5031 14.5289 14.7110 14.8194 14.9695 15.1956 15.3700 15.5651 15.6428 15.7877 15.8733 16.0885 16.1946 16.3131 16.3599 16.7316 16.8718 16.8845 17.0165 17.2537 17.3298 17.4821 17.6068 17.8383 17.9806 18.0616 18.2786 18.3585 18.4220 18.5660 18.5934 18.7226 18.8410 18.9082 18.9679 19.2665 19.2934 19.5424 19.6343 19.6415 19.7963 19.8053 19.9507 20.0474 20.1672 20.2943 20.4121 20.5313 20.5798 20.7835 20.8644 20.9307 21.1037 21.1885 21.2284 21.4294 21.5662 21.6592 21.7761 22.0089 -13.2507 -9.0343 -8.2228 -7.2326 -6.9640 -6.6477 -6.0424 -6.0148 -5.6127 -5.5514 -5.3817 -5.2630 -5.2331 -5.1763 -5.1179 -5.0170 -4.9847 -4.9535 -4.9250 -4.8634 -4.8227 -4.7951 -4.6704 -4.6136 -4.5938 -4.5637 -4.5444 -4.4967 -4.4647 -4.4096 -4.3565 -4.3306 -4.2933 -4.2783 -4.2313 -4.2120 -4.1671 -4.1272 -4.0848 -4.0464 -4.0212 -3.9874 -3.9528 -3.9422 -3.9180 -3.8704 -3.8425 -3.8265 -3.8166 -3.7851 -3.7483 -3.6923 -3.6692 -3.6425 -3.6096 -3.5826 -3.5518 -3.5241 -3.5151 -3.4851 -3.4676 -3.4011 -3.3524 -3.3341 -3.3072 -3.2940 -3.2820 -3.2243 -3.1894 -3.1783 -3.1444 -3.1165 -3.0931 -3.0687 -3.0102 -2.9684 -2.9269 -2.8860 -2.8744 -2.8485 -2.8317 -2.8170 -2.7922 -2.7525 -2.7211 -2.7191 -2.6343 -2.4799 -2.2364 -2.1032 -1.9210 -1.5480 -1.1817 -0.4506 -0.0698 0.2984 0.4092 1.1208 1.5015 1.9029 2.3737 2.9208 3.2231 3.9215 4.0232 4.3191 4.5393 5.0659 5.2359 5.4323 5.4684 5.6955 6.0251 6.1166 6.2361 6.5051 6.6546 6.9475 7.0732 7.2573 7.3112 7.5346 7.6796 7.7914 8.0392 8.2022 8.3499 8.5349 8.7687 8.8687 9.1137 9.2919 9.4158 9.6427 9.9210 10.0577 10.1453 10.3217 10.5247 10.6264 10.7791 10.9364 11.0764 11.2776 11.4302 11.5753 11.8076 11.9426 12.0412 12.1915 12.3711 12.4908 12.6831 12.8953 12.9529 13.1127 13.2391 13.3044 13.5475 13.7127 13.8270 13.9434 14.0694 14.2340 14.3353 14.4448 14.5743 14.6698 14.7427 15.0297 15.1493 15.2515 15.3130 15.3784 15.6736 15.9906 16.0731 16.1875 16.3056 16.4947 16.5996 16.7571 16.9311 17.1165 17.2276 17.2906 17.4166 17.6197 17.6947 17.7716 17.9908 18.0762 18.3134 18.4172 18.5026 18.6057 18.7495 18.8270 18.9556 19.1874 19.2533 19.3393 19.5248 19.6955 19.8598 19.9854 20.0596 20.0969 20.2928 20.4750 20.5787 20.7852 20.8717 20.9415 21.0608 21.1341 21.2256 21.2914 21.4005 21.4888 21.6154 21.7977 21.9003 22.0152 -13.2507 -9.0343 -8.2228 -7.2328 -6.9641 -6.6477 -6.0424 -6.0149 -5.6127 -5.5509 -5.3816 -5.2627 -5.2334 -5.1761 -5.1181 -5.0172 -4.9848 -4.9539 -4.9249 -4.8631 -4.8224 -4.7955 -4.6699 -4.6143 -4.5937 -4.5629 -4.5446 -4.4969 -4.4650 -4.4099 -4.3564 -4.3307 -4.2937 -4.2781 -4.2305 -4.2118 -4.1668 -4.1276 -4.0850 -4.0463 -4.0212 -3.9881 -3.9525 -3.9419 -3.9178 -3.8703 -3.8421 -3.8263 -3.8166 -3.7853 -3.7484 -3.6924 -3.6694 -3.6424 -3.6099 -3.5827 -3.5523 -3.5239 -3.5154 -3.4848 -3.4674 -3.4000 -3.3527 -3.3347 -3.3071 -3.2941 -3.2824 -3.2244 -3.1895 -3.1786 -3.1442 -3.1161 -3.0932 -3.0685 -3.0104 -2.9688 -2.9269 -2.8857 -2.8744 -2.8484 -2.8314 -2.8173 -2.7924 -2.7525 -2.7211 -2.7191 -2.6340 -2.4799 -2.2370 -2.1031 -1.9208 -1.5483 -1.1808 -0.4503 -0.0700 0.2986 0.4087 1.1209 1.5020 1.9015 2.3712 2.9223 3.2237 3.9214 4.0244 4.3191 4.5396 5.0677 5.2362 5.4315 5.4679 5.6970 6.0231 6.1161 6.2364 6.5046 6.6550 6.9451 7.0735 7.2574 7.3120 7.5331 7.6783 7.7933 8.0384 8.2035 8.3499 8.5343 8.7692 8.8695 9.1155 9.2924 9.4154 9.6419 9.9203 10.0577 10.1451 10.3221 10.5246 10.6267 10.7789 10.9354 11.0764 11.2781 11.4324 11.5750 11.8087 11.9423 12.0405 12.1898 12.3713 12.4911 12.6830 12.8956 12.9526 13.1148 13.2378 13.3037 13.5457 13.7135 13.8287 13.9414 14.0712 14.2343 14.3357 14.4447 14.5719 14.6702 14.7444 15.0303 15.1496 15.2505 15.3115 15.3757 15.6757 15.9919 16.0736 16.1868 16.3051 16.4936 16.5985 16.7567 16.9323 17.1160 17.2291 17.2922 17.4162 17.6206 17.6931 17.7721 17.9905 18.0777 18.3110 18.4190 18.5010 18.6058 18.7485 18.8273 18.9565 19.1878 19.2542 19.3394 19.5250 19.6955 19.8581 19.9873 20.0594 20.0957 20.2921 20.4732 20.5809 20.7848 20.8700 20.9422 21.0607 21.1330 21.2274 21.2924 21.4023 21.4875 21.6160 21.7997 21.8993 22.0139 -13.2363 -8.5829 -7.6741 -7.5941 -6.9125 -6.7688 -6.4864 -5.9475 -5.8634 -5.4422 -5.1840 -5.1052 -5.0592 -5.0175 -4.9917 -4.9109 -4.8827 -4.8492 -4.8308 -4.8013 -4.7295 -4.7085 -4.6921 -4.6728 -4.6516 -4.6058 -4.5765 -4.5551 -4.5259 -4.5094 -4.4857 -4.4591 -4.4173 -4.3584 -4.3290 -4.2988 -4.2537 -4.2073 -4.1430 -4.0929 -4.0680 -4.0658 -4.0122 -4.0057 -3.9904 -3.9477 -3.9043 -3.8959 -3.8274 -3.8137 -3.7876 -3.7392 -3.7184 -3.7053 -3.6687 -3.6192 -3.5666 -3.5188 -3.5003 -3.4971 -3.4827 -3.3979 -3.3887 -3.3699 -3.3390 -3.3141 -3.2372 -3.2242 -3.2130 -3.1853 -3.1404 -3.1312 -3.0930 -3.0828 -3.0691 -3.0158 -2.9919 -2.9086 -2.8803 -2.8716 -2.8588 -2.8472 -2.8391 -2.8184 -2.8037 -2.7210 -2.6910 -2.6553 -2.4298 -2.3674 -1.9370 -1.7211 -1.2413 -0.3811 -0.1776 0.7879 1.4223 1.6810 1.8418 2.2033 2.6563 2.9534 3.2057 3.7473 3.8486 4.3356 4.5581 4.7118 5.0614 5.3130 5.5159 5.6314 5.8210 6.0787 6.4872 6.6077 6.7969 6.9439 7.3036 7.3558 7.5938 7.8339 8.0498 8.1510 8.3139 8.4883 8.8515 8.8858 9.0220 9.2514 9.3475 9.5796 9.7536 9.7927 10.0075 10.1292 10.2395 10.5392 10.7093 10.8126 10.9403 11.1062 11.2498 11.3276 11.3870 11.4659 11.6531 11.7277 11.9024 12.0079 12.1544 12.3012 12.4300 12.5496 12.6049 12.6652 12.8919 12.9705 13.0898 13.2865 13.3262 13.5244 13.6273 13.8127 13.9419 14.0351 14.2657 14.3959 14.6163 14.7180 14.8110 15.0453 15.2042 15.3392 15.4764 15.5965 15.7591 15.9119 16.0089 16.1352 16.3181 16.4398 16.5810 16.7949 16.8992 17.0128 17.3310 17.5372 17.5958 17.7691 17.8998 18.0594 18.2312 18.3699 18.5056 18.6046 18.8209 18.9668 19.1201 19.2606 19.3228 19.5478 19.7638 19.8768 19.9815 20.0497 20.2799 20.3506 20.5923 20.6556 20.8442 20.9642 21.0220 21.1123 21.2500 21.3883 21.5039 21.5695 21.6618 21.9042 22.0486 22.1042 22.2111 22.2698 -13.2363 -8.5830 -7.6740 -7.5945 -6.9124 -6.7688 -6.4864 -5.9474 -5.8633 -5.4422 -5.1838 -5.1054 -5.0593 -5.0175 -4.9916 -4.9109 -4.8827 -4.8492 -4.8307 -4.8015 -4.7294 -4.7086 -4.6924 -4.6725 -4.6520 -4.6058 -4.5769 -4.5549 -4.5254 -4.5094 -4.4855 -4.4593 -4.4163 -4.3588 -4.3291 -4.2986 -4.2540 -4.2072 -4.1430 -4.0930 -4.0679 -4.0659 -4.0122 -4.0057 -3.9903 -3.9481 -3.9044 -3.8953 -3.8279 -3.8136 -3.7868 -3.7396 -3.7184 -3.7052 -3.6685 -3.6198 -3.5666 -3.5187 -3.5000 -3.4971 -3.4826 -3.3979 -3.3887 -3.3702 -3.3392 -3.3143 -3.2370 -3.2239 -3.2132 -3.1851 -3.1402 -3.1312 -3.0932 -3.0828 -3.0693 -3.0162 -2.9919 -2.9086 -2.8802 -2.8716 -2.8588 -2.8470 -2.8393 -2.8184 -2.8038 -2.7211 -2.6911 -2.6554 -2.4296 -2.3676 -1.9365 -1.7217 -1.2409 -0.3804 -0.1782 0.7879 1.4229 1.6815 1.8401 2.2022 2.6576 2.9518 3.2048 3.7480 3.8494 4.3354 4.5598 4.7125 5.0622 5.3131 5.5157 5.6285 5.8207 6.0791 6.4876 6.6088 6.7974 6.9447 7.3041 7.3548 7.5922 7.8330 8.0494 8.1522 8.3114 8.4892 8.8523 8.8848 9.0231 9.2511 9.3497 9.5804 9.7542 9.7917 10.0060 10.1284 10.2386 10.5399 10.7104 10.8131 10.9403 11.1075 11.2479 11.3279 11.3873 11.4643 11.6530 11.7286 11.9033 12.0059 12.1548 12.3015 12.4320 12.5496 12.6039 12.6661 12.8927 12.9704 13.0890 13.2870 13.3267 13.5234 13.6274 13.8143 13.9431 14.0325 14.2649 14.3954 14.6161 14.7183 14.8094 15.0464 15.2033 15.3386 15.4779 15.5985 15.7594 15.9131 16.0085 16.1337 16.3161 16.4381 16.5788 16.7930 16.9010 17.0154 17.3320 17.5372 17.5964 17.7690 17.8989 18.0581 18.2320 18.3698 18.5078 18.6037 18.8211 18.9663 19.1190 19.2606 19.3233 19.5499 19.7646 19.8778 19.9819 20.0485 20.2802 20.3509 20.5918 20.6533 20.8430 20.9630 21.0241 21.1128 21.2499 21.3879 21.5036 21.5690 21.6616 21.9047 22.0485 22.1032 22.2130 22.2695 -13.2401 -8.3078 -8.1057 -7.5057 -6.9331 -6.7818 -6.2969 -6.1225 -5.7852 -5.3589 -5.2537 -5.0990 -5.0403 -5.0294 -4.9938 -4.9398 -4.8801 -4.8497 -4.8253 -4.8197 -4.7251 -4.7096 -4.6902 -4.6526 -4.6420 -4.6233 -4.5730 -4.5618 -4.5319 -4.5078 -4.5003 -4.4275 -4.4038 -4.4009 -4.3236 -4.2875 -4.2348 -4.2120 -4.1392 -4.1060 -4.0772 -4.0503 -4.0138 -4.0068 -4.0016 -3.9344 -3.9043 -3.8876 -3.8123 -3.8109 -3.7691 -3.7484 -3.7191 -3.7083 -3.6802 -3.6261 -3.5534 -3.5300 -3.5121 -3.4869 -3.4580 -3.3922 -3.3783 -3.3593 -3.3528 -3.3028 -3.2477 -3.2178 -3.1990 -3.1919 -3.1746 -3.1327 -3.1189 -3.0759 -3.0702 -3.0147 -2.9936 -2.9017 -2.8862 -2.8642 -2.8616 -2.8549 -2.8385 -2.8197 -2.8101 -2.7069 -2.6952 -2.6560 -2.4566 -2.3519 -1.9264 -1.7417 -1.1466 -0.7090 0.0230 0.9286 1.0921 1.6650 2.0546 2.3792 2.5501 2.9545 3.3695 3.5922 3.9257 4.4058 4.5002 4.7655 4.9663 5.2865 5.4142 5.7385 5.9385 6.2693 6.3035 6.6201 6.7403 6.9055 6.9479 7.3244 7.7442 7.9267 8.0765 8.2130 8.3444 8.5746 8.6907 8.7826 9.0341 9.2264 9.3218 9.4751 9.7872 9.9141 10.0356 10.1750 10.2631 10.3888 10.6846 10.8947 10.9487 11.0902 11.2201 11.3589 11.4920 11.5859 11.6006 11.6409 11.9122 11.9331 12.2016 12.2256 12.3769 12.5021 12.5550 12.7595 12.9076 13.0522 13.1325 13.3065 13.4403 13.4978 13.6409 13.7081 13.8951 14.1330 14.3534 14.3959 14.5813 14.7651 14.8676 14.9672 15.2162 15.2364 15.3977 15.6262 15.7245 15.8015 15.9257 16.1213 16.1618 16.4679 16.7255 16.8007 17.0037 17.1794 17.3003 17.4999 17.5211 17.6878 17.8960 18.0793 18.2237 18.3230 18.4728 18.6762 18.9136 18.9444 19.1155 19.2790 19.6016 19.6170 19.7127 19.7698 19.8945 20.0903 20.2880 20.4968 20.5756 20.7527 20.8757 20.9554 21.0437 21.1851 21.2319 21.4260 21.4503 21.4585 21.6567 21.7530 21.9711 22.0991 22.2086 22.2519 -13.2416 -8.9329 -8.0430 -7.3257 -7.0648 -6.7929 -6.2154 -5.6531 -5.4921 -5.4515 -5.3103 -5.2832 -5.2627 -5.1348 -5.0918 -5.0646 -4.9975 -4.8994 -4.8735 -4.8372 -4.7890 -4.7869 -4.6623 -4.6093 -4.6089 -4.5790 -4.5380 -4.5064 -4.4917 -4.4229 -4.3854 -4.3511 -4.3346 -4.2968 -4.2628 -4.2402 -4.1968 -4.1805 -4.1337 -4.0969 -4.0020 -3.9928 -3.9838 -3.9462 -3.8973 -3.8347 -3.8153 -3.7942 -3.7923 -3.7509 -3.7497 -3.7170 -3.7121 -3.6396 -3.6319 -3.6146 -3.6083 -3.5800 -3.5419 -3.5368 -3.5001 -3.4318 -3.3871 -3.3575 -3.3405 -3.3400 -3.3064 -3.2928 -3.2627 -3.2053 -3.1983 -3.1664 -3.1606 -3.1218 -3.0709 -3.0037 -2.9873 -2.9842 -2.9664 -2.8534 -2.8056 -2.7935 -2.7858 -2.7482 -2.7054 -2.6712 -2.6447 -2.4728 -2.1233 -1.9558 -1.4948 -1.2896 -1.1415 -0.6551 -0.6151 -0.0446 0.4110 0.8322 1.3539 2.0584 2.7449 2.9898 3.9320 4.2015 4.4218 4.6729 4.9048 4.9900 5.2307 5.3487 5.4020 5.8933 5.9593 6.1243 6.4575 6.5523 6.7190 7.0129 7.2168 7.3511 7.5861 7.5935 7.7744 7.8289 7.9432 8.2483 8.5409 8.5888 8.6203 8.8012 8.9019 9.0622 9.2957 9.4327 9.4766 9.8210 9.8351 10.1017 10.1799 10.6004 10.6363 10.7703 10.8012 10.9485 11.2457 11.5623 11.6546 11.7264 11.9605 12.0403 12.1154 12.3317 12.4568 12.4727 12.7842 12.8493 13.2351 13.5773 13.7985 14.0043 14.0706 14.2650 14.4043 14.4361 14.5452 14.8766 14.9496 15.1526 15.3073 15.3102 15.4477 15.5093 15.6279 15.6725 15.7423 16.0050 16.1908 16.5268 16.5813 16.7521 16.7747 16.8907 16.8978 17.1485 17.2199 17.3181 17.3925 17.5001 17.5593 17.7710 18.0948 18.1855 18.2093 18.4791 18.5588 18.6072 18.6703 18.7540 18.7592 18.9412 19.0573 19.1133 19.1376 19.3417 19.4653 19.5535 19.6732 19.6762 19.9224 19.9503 20.1677 20.2133 20.3501 20.3962 20.5974 20.6303 20.7806 20.9663 21.1200 21.3388 21.3755 21.5268 21.6756 21.7484 -13.2353 -8.7618 -7.7088 -7.4772 -7.2026 -6.6825 -6.1900 -6.0535 -5.5969 -5.5025 -5.1587 -5.1505 -5.1043 -5.0887 -5.0667 -4.9735 -4.9607 -4.8745 -4.8084 -4.7701 -4.7423 -4.7198 -4.6997 -4.6757 -4.6168 -4.5953 -4.5731 -4.5614 -4.4904 -4.4614 -4.4410 -4.4272 -4.4087 -4.3326 -4.2854 -4.2639 -4.2599 -4.1832 -4.1634 -4.1399 -4.0337 -3.9969 -3.9745 -3.9658 -3.9503 -3.9431 -3.8800 -3.8564 -3.7882 -3.7762 -3.7595 -3.7432 -3.7278 -3.7163 -3.6834 -3.6311 -3.5754 -3.5291 -3.5054 -3.4865 -3.4769 -3.4572 -3.4163 -3.3839 -3.3667 -3.3473 -3.3086 -3.2799 -3.2350 -3.2097 -3.1717 -3.1535 -3.1225 -3.1053 -3.0661 -3.0132 -3.0057 -2.9799 -2.9512 -2.8606 -2.8436 -2.8292 -2.8036 -2.7574 -2.7469 -2.7214 -2.6280 -2.5893 -2.2044 -2.0688 -1.9779 -1.5205 -1.0599 -0.6036 -0.0846 0.3015 0.6072 1.2469 1.5287 2.1570 2.6318 3.3024 3.8025 4.0143 4.4373 4.5192 4.6440 4.7463 4.9791 5.2429 5.4234 5.7616 6.1241 6.2907 6.5310 6.5922 6.8810 7.0217 7.1691 7.4057 7.5888 7.7870 7.8351 8.0251 8.2089 8.4651 8.5422 8.5628 8.7463 9.0900 9.1619 9.3924 9.4567 9.6056 9.8144 9.9102 9.9983 10.0924 10.1968 10.5398 10.6829 10.7856 10.9593 11.0827 11.2434 11.3842 11.6180 11.7839 11.8934 12.1043 12.2342 12.4039 12.5931 12.7895 13.0377 13.1627 13.2479 13.3093 13.3395 13.5428 13.6261 13.8046 13.9821 14.0492 14.2603 14.2794 14.4999 14.6184 14.7257 14.8593 15.0319 15.2835 15.3755 15.5854 15.7346 15.7890 16.0590 16.1141 16.2284 16.5734 16.6060 16.6898 16.9007 16.9120 16.9987 17.1837 17.2442 17.3354 17.4721 17.6429 17.9947 18.0677 18.1443 18.2418 18.5529 18.7170 18.9731 19.0485 19.1921 19.2473 19.3966 19.4193 19.5670 19.8137 19.8606 19.8824 20.0161 20.0659 20.1686 20.1972 20.4038 20.4527 20.5581 20.6997 20.9481 20.9539 21.0773 21.2456 21.2854 21.4665 21.5323 21.6070 21.6978 21.9922</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="5600">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00185 0.71868 0.01084 -0.02202 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01989 0.97717 0.16689 -0.00875 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01916 0.97660 0.16660 -0.00930 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00020 0.91181 0.65305 -0.00752 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00021 0.91070 0.65287 -0.00750 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00802 1.02929 0.55431 -0.03544 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00809 1.02929 0.55433 -0.03543 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00002 1.00852 0.88597 0.23744 -0.02435 -0.00010 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.97830 0.63377 -0.00370 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.97565 0.63617 -0.00369 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00111 0.55805 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00113 0.55653 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00564 0.11054 -0.01585 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00563 0.11150 -0.01564 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01033 1.03170 -0.00023 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01055 1.03200 -0.00023 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00049 0.16409 -0.00903 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01220 0.98823 0.66241 -0.00210 -0.00193 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00494 0.74818 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00491 0.74499 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00009 0.92325 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00009 0.92230 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00005 0.61216 -0.00669 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01173 1.00145 0.59101 -0.00245 -0.00104 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00792 0.25852 -0.00080 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="5600">-13.3279 -9.8604 -9.0425 -7.5505 -7.2009 -6.1994 -5.7928 -5.7344 -5.6850 -5.6432 -5.6307 -5.6230 -5.5643 -5.3880 -5.3216 -5.2314 -5.2223 -5.2187 -5.1826 -5.1529 -5.0464 -4.9459 -4.8479 -4.6300 -4.5496 -4.4463 -4.4090 -4.2577 -4.1915 -4.1746 -4.1571 -4.1348 -4.1040 -4.0696 -4.0343 -4.0255 -4.0120 -4.0011 -3.9927 -3.9749 -3.9656 -3.9529 -3.9412 -3.8799 -3.8734 -3.7492 -3.7486 -3.7479 -3.6820 -3.6761 -3.6347 -3.6039 -3.4821 -3.3988 -3.3817 -3.2822 -3.2807 -3.2550 -3.2012 -3.1953 -3.1728 -3.1721 -3.1041 -3.0960 -3.0568 -3.0194 -2.9835 -2.9429 -2.9424 -2.8790 -2.8775 -2.8575 -2.8412 -2.8269 -2.7941 -2.7802 -2.7681 -2.7546 -2.7429 -2.7099 -2.6838 -2.6688 -2.5531 -2.5321 -2.5304 -2.5265 -2.3961 -2.2805 -2.0875 -1.5984 -1.1736 -0.9605 -0.9254 -0.2855 -0.1115 -0.0768 0.2524 0.4372 0.4777 0.5292 0.6421 2.0344 2.6543 2.9655 3.0015 3.2647 3.4242 3.4905 3.6026 4.3153 4.4852 4.6004 4.8382 5.1034 5.4251 5.7796 6.0696 6.4484 6.8842 6.9845 7.1849 7.3743 7.6257 7.6956 8.3815 8.6262 8.7103 9.0134 9.2236 9.3982 9.5585 9.9580 10.0015 10.0646 10.1387 10.2851 10.4155 10.6211 10.9872 11.1096 11.1829 11.3540 11.3743 11.5406 11.8777 12.0240 12.0475 12.1531 12.3247 12.3277 12.3886 12.6520 12.8767 12.9233 13.1661 13.2024 13.3000 13.5324 13.6530 13.7802 13.9831 14.0417 14.0539 14.1714 14.5894 14.7125 14.7784 15.2745 15.3067 15.5249 15.5766 15.7025 15.9857 16.1529 16.3473 16.4726 16.6416 16.7801 17.0419 17.1280 17.2233 17.2254 17.4076 17.4702 17.5200 17.7052 17.8033 17.9910 18.0152 18.2013 18.2862 18.3139 18.5179 18.5592 18.6794 18.7143 18.9941 19.1737 19.2534 19.3282 19.3303 19.4446 19.6876 19.8532 19.9672 20.0326 20.1915 20.5118 20.5636 20.6232 20.7349 20.7647 20.8333 21.0331 21.1923 21.2356 21.2544 21.3335 21.5344 21.5493 21.7116 21.8672 21.9311 21.9400 -13.3129 -9.7181 -8.9074 -7.4276 -7.2470 -6.0946 -5.8398 -5.7398 -5.6808 -5.6458 -5.5953 -5.5766 -5.5208 -5.3897 -5.2836 -5.1972 -5.1820 -5.1723 -5.1448 -5.1074 -4.9982 -4.9091 -4.8188 -4.6336 -4.5688 -4.4740 -4.4177 -4.3297 -4.2187 -4.1968 -4.1577 -4.1452 -4.1037 -4.0954 -4.0591 -4.0515 -4.0292 -4.0121 -4.0006 -3.9765 -3.9569 -3.9445 -3.9371 -3.9181 -3.8929 -3.8648 -3.7798 -3.7642 -3.7060 -3.6968 -3.6519 -3.6205 -3.5826 -3.4536 -3.4172 -3.3831 -3.3512 -3.2974 -3.2685 -3.2303 -3.2151 -3.1937 -3.1753 -3.1266 -3.0853 -3.0564 -3.0299 -2.9944 -2.9811 -2.9087 -2.8975 -2.8925 -2.8756 -2.8596 -2.8509 -2.8314 -2.8010 -2.7920 -2.7666 -2.7566 -2.7274 -2.7039 -2.6544 -2.6402 -2.6358 -2.5894 -2.4173 -2.2808 -2.0929 -1.8644 -1.3110 -1.2706 -1.0326 -0.9428 -0.3390 -0.1790 0.3000 0.7270 1.0542 1.1825 1.4949 2.3567 2.7892 3.1201 3.2110 3.4498 3.6567 3.7811 3.8825 4.4476 4.6121 4.7133 5.0160 5.2644 5.7493 6.0171 6.2778 6.5660 6.7767 6.8947 7.1140 7.5719 7.7043 7.8560 8.2619 8.5642 8.7425 8.9808 9.1790 9.3537 9.5400 9.5890 9.6540 9.9304 10.1629 10.3977 10.6090 10.7544 10.8375 10.9469 11.0018 11.1802 11.2420 11.5399 11.5762 11.6797 11.9057 12.0768 12.1981 12.3368 12.4490 12.5752 12.6873 12.9152 13.0584 13.1872 13.3821 13.4955 13.7134 13.8287 13.9446 14.0294 14.0796 14.2164 14.4735 14.6117 14.7342 14.9552 15.2056 15.3948 15.4526 15.6121 15.7805 15.8594 15.9731 16.3228 16.4422 16.7314 16.8825 17.0731 17.2031 17.3002 17.5114 17.5966 17.7172 17.7715 17.9302 18.0212 18.2425 18.3283 18.3681 18.5416 18.6604 18.7677 18.8476 19.0274 19.0872 19.1846 19.2446 19.3470 19.4210 19.5221 19.6120 19.7341 19.8015 19.9518 20.0432 20.0915 20.1852 20.3446 20.4895 20.5982 20.7284 20.8019 21.0077 21.0746 21.1502 21.2677 21.2939 21.4116 21.4779 21.5855 21.7120 21.8767 -13.3129 -9.7182 -8.9074 -7.4276 -7.2471 -6.0946 -5.8402 -5.7398 -5.6802 -5.6453 -5.5955 -5.5769 -5.5207 -5.3896 -5.2838 -5.1975 -5.1819 -5.1723 -5.1448 -5.1074 -4.9982 -4.9091 -4.8188 -4.6337 -4.5686 -4.4740 -4.4178 -4.3296 -4.2191 -4.1964 -4.1577 -4.1459 -4.1037 -4.0951 -4.0587 -4.0516 -4.0289 -4.0122 -4.0006 -3.9761 -3.9571 -3.9444 -3.9370 -3.9183 -3.8929 -3.8648 -3.7802 -3.7637 -3.7062 -3.6968 -3.6521 -3.6205 -3.5825 -3.4539 -3.4173 -3.3830 -3.3511 -3.2970 -3.2691 -3.2299 -3.2150 -3.1936 -3.1754 -3.1265 -3.0852 -3.0568 -3.0297 -2.9945 -2.9812 -2.9086 -2.8975 -2.8924 -2.8756 -2.8596 -2.8510 -2.8313 -2.8008 -2.7917 -2.7666 -2.7567 -2.7275 -2.7041 -2.6539 -2.6402 -2.6358 -2.5894 -2.4184 -2.2811 -2.0938 -1.8638 -1.3099 -1.2702 -1.0325 -0.9422 -0.3390 -0.1794 0.2998 0.7268 1.0521 1.1826 1.4958 2.3575 2.7893 3.1196 3.2117 3.4498 3.6560 3.7816 3.8820 4.4488 4.6120 4.7130 5.0159 5.2643 5.7488 6.0175 6.2782 6.5646 6.7770 6.8941 7.1148 7.5705 7.7047 7.8567 8.2630 8.5639 8.7434 8.9812 9.1792 9.3533 9.5404 9.5877 9.6547 9.9296 10.1624 10.3974 10.6088 10.7554 10.8383 10.9469 11.0017 11.1792 11.2407 11.5389 11.5770 11.6804 11.9065 12.0761 12.1983 12.3359 12.4506 12.5759 12.6881 12.9142 13.0589 13.1884 13.3824 13.4943 13.7120 13.8280 13.9442 14.0294 14.0801 14.2185 14.4728 14.6114 14.7335 14.9552 15.2060 15.3933 15.4520 15.6139 15.7808 15.8581 15.9734 16.3229 16.4441 16.7299 16.8816 17.0732 17.2032 17.3014 17.5097 17.5978 17.7162 17.7714 17.9297 18.0183 18.2448 18.3290 18.3689 18.5411 18.6609 18.7680 18.8473 19.0274 19.0857 19.1845 19.2427 19.3491 19.4197 19.5238 19.6124 19.7363 19.8038 19.9516 20.0438 20.0917 20.1842 20.3428 20.4914 20.5990 20.7273 20.7980 21.0083 21.0751 21.1493 21.2681 21.2957 21.4136 21.4811 21.5835 21.7116 21.8772 -13.2793 -9.3055 -8.5130 -7.4547 -7.0809 -6.3463 -5.8299 -5.7857 -5.6000 -5.5725 -5.4680 -5.4500 -5.4123 -5.3263 -5.1769 -5.1177 -5.0774 -5.0499 -5.0433 -4.9940 -4.8787 -4.8173 -4.7395 -4.6402 -4.6217 -4.5463 -4.4622 -4.4166 -4.3358 -4.3083 -4.2606 -4.2272 -4.2065 -4.1579 -4.1415 -4.1147 -4.0935 -4.0768 -4.0434 -4.0239 -3.9768 -3.9546 -3.9241 -3.9000 -3.8768 -3.8704 -3.8311 -3.8031 -3.7950 -3.7783 -3.7590 -3.6266 -3.6048 -3.5923 -3.5737 -3.5471 -3.4788 -3.4362 -3.3995 -3.3353 -3.3219 -3.2975 -3.2800 -3.2626 -3.2404 -3.2245 -3.1916 -3.1454 -3.1179 -3.0909 -3.0304 -3.0217 -3.0134 -2.9950 -2.9692 -2.9506 -2.9274 -2.9191 -2.8333 -2.8192 -2.8083 -2.8007 -2.7852 -2.7269 -2.6923 -2.6853 -2.4497 -2.4218 -2.2793 -1.9584 -1.6920 -1.2363 -1.1567 -0.7161 -0.5797 -0.0810 0.2191 0.8437 1.3759 2.1578 2.2829 2.8919 3.2448 3.5647 3.6610 3.9602 4.1642 4.3496 4.7799 5.0155 5.1759 5.3949 5.5289 5.6793 6.0592 6.3830 6.5335 6.8096 6.9939 7.2592 7.3751 7.6219 7.9701 8.0434 8.1300 8.2810 8.5194 8.6021 8.7740 8.9889 9.2760 9.3253 9.3919 9.5513 9.7868 10.0891 10.1770 10.2751 10.3770 10.5366 10.5873 10.8041 11.0312 11.1907 11.3688 11.5619 11.7510 11.9436 12.1236 12.4216 12.4701 12.7029 12.9195 13.0031 13.1300 13.3056 13.3583 13.5010 13.6359 13.7971 14.0169 14.2399 14.3067 14.3905 14.4955 14.6444 14.7527 14.8820 14.9392 15.0903 15.2683 15.4615 15.7066 15.8432 15.9827 16.1959 16.2710 16.3586 16.5763 16.6778 16.8426 17.0212 17.1475 17.2212 17.4185 17.5152 17.6011 17.7362 17.8421 17.9784 18.1444 18.2579 18.3849 18.4860 18.6407 18.7644 18.8373 18.9512 19.0599 19.1409 19.3275 19.4186 19.4941 19.6382 19.7637 19.8999 19.9885 20.0555 20.1745 20.3182 20.4240 20.5185 20.6401 20.8133 20.9401 21.0918 21.1439 21.2696 21.4152 21.5271 21.6494 21.7868 21.8187 21.9896 -13.2793 -9.3056 -8.5131 -7.4551 -7.0808 -6.3464 -5.8295 -5.7853 -5.6001 -5.5721 -5.4682 -5.4503 -5.4121 -5.3264 -5.1771 -5.1182 -5.0774 -5.0498 -5.0437 -4.9937 -4.8787 -4.8170 -4.7394 -4.6401 -4.6214 -4.5462 -4.4622 -4.4169 -4.3363 -4.3073 -4.2609 -4.2270 -4.2068 -4.1580 -4.1418 -4.1149 -4.0935 -4.0766 -4.0428 -4.0242 -3.9768 -3.9546 -3.9241 -3.8997 -3.8768 -3.8705 -3.8313 -3.8031 -3.7951 -3.7786 -3.7588 -3.6268 -3.6050 -3.5922 -3.5737 -3.5467 -3.4787 -3.4357 -3.3989 -3.3357 -3.3221 -3.2975 -3.2802 -3.2630 -3.2404 -3.2247 -3.1911 -3.1455 -3.1177 -3.0908 -3.0304 -3.0218 -3.0133 -2.9952 -2.9692 -2.9504 -2.9276 -2.9191 -2.8334 -2.8191 -2.8082 -2.8008 -2.7849 -2.7268 -2.6924 -2.6858 -2.4501 -2.4225 -2.2792 -1.9587 -1.6906 -1.2358 -1.1567 -0.7160 -0.5799 -0.0810 0.2190 0.8448 1.3739 2.1558 2.2831 2.8926 3.2448 3.5643 3.6614 3.9617 4.1644 4.3488 4.7796 5.0169 5.1754 5.3954 5.5301 5.6796 6.0567 6.3827 6.5346 6.8095 6.9926 7.2593 7.3748 7.6220 7.9713 8.0422 8.1310 8.2793 8.5199 8.6031 8.7739 8.9901 9.2765 9.3246 9.3919 9.5502 9.7884 10.0894 10.1757 10.2738 10.3779 10.5372 10.5874 10.8051 11.0307 11.1923 11.3681 11.5602 11.7520 11.9448 12.1210 12.4209 12.4709 12.7031 12.9171 13.0042 13.1294 13.3047 13.3606 13.5010 13.6370 13.7967 14.0195 14.2393 14.3058 14.3906 14.4948 14.6463 14.7505 14.8801 14.9389 15.0916 15.2697 15.4628 15.7067 15.8422 15.9828 16.1953 16.2711 16.3573 16.5760 16.6795 16.8412 17.0187 17.1471 17.2202 17.4204 17.5127 17.6015 17.7355 17.8411 17.9791 18.1448 18.2578 18.3839 18.4858 18.6418 18.7663 18.8362 18.9507 19.0610 19.1409 19.3284 19.4188 19.4939 19.6374 19.7648 19.8990 19.9893 20.0575 20.1731 20.3175 20.4240 20.5216 20.6403 20.8128 20.9427 21.0918 21.1437 21.2679 21.4158 21.5275 21.6489 21.7867 21.8209 21.9897 -13.2522 -8.6847 -7.9785 -7.8650 -7.1245 -6.5936 -6.1215 -5.5329 -5.4749 -5.4533 -5.3529 -5.2813 -5.2568 -5.1964 -5.0892 -5.0688 -5.0336 -4.9053 -4.8846 -4.8501 -4.7972 -4.7832 -4.6839 -4.6606 -4.5981 -4.5699 -4.5396 -4.5138 -4.4700 -4.4114 -4.3892 -4.3394 -4.3298 -4.2850 -4.2622 -4.2295 -4.2041 -4.1761 -4.1335 -4.0614 -4.0458 -3.9982 -3.9740 -3.9429 -3.8779 -3.8219 -3.8058 -3.7931 -3.7874 -3.7602 -3.7417 -3.7216 -3.6845 -3.6463 -3.6301 -3.6064 -3.5914 -3.5693 -3.5602 -3.5337 -3.4661 -3.4250 -3.4108 -3.3613 -3.3496 -3.3373 -3.3098 -3.2980 -3.2464 -3.2039 -3.1939 -3.1826 -3.1747 -3.1237 -3.0545 -3.0337 -2.9994 -2.9807 -2.9557 -2.8568 -2.8062 -2.8005 -2.7836 -2.7698 -2.6916 -2.6857 -2.6451 -2.4592 -2.1073 -2.0141 -1.5197 -1.3291 -1.1327 -0.8725 -0.4097 -0.0785 0.4703 0.7918 1.4376 2.0292 2.7994 3.2123 4.0100 4.2067 4.4859 4.5409 4.8221 5.0433 5.1615 5.3624 5.5765 5.8966 6.0405 6.2234 6.3065 6.5231 6.7111 6.8876 7.0938 7.2312 7.4455 7.5544 7.7238 7.8781 8.0321 8.2373 8.4064 8.6282 8.7310 8.8447 8.8936 9.0557 9.3100 9.3737 9.5535 9.7921 9.8491 10.1051 10.2823 10.4960 10.6655 10.7382 10.8733 11.0543 11.2377 11.3380 11.4935 11.7039 11.9516 12.1336 12.1970 12.3289 12.4215 12.5107 12.7318 13.0372 13.2245 13.4823 13.8257 13.9617 14.0877 14.1655 14.2936 14.4463 14.6464 14.8101 14.9590 15.0517 15.2201 15.3703 15.4547 15.6249 15.6655 15.7964 15.9445 16.1595 16.2513 16.3404 16.5142 16.6128 16.7636 16.8515 16.9711 17.0289 17.2188 17.3420 17.4092 17.5462 17.6858 17.8223 18.0580 18.1545 18.2553 18.3125 18.4507 18.5390 18.6241 18.7218 18.7410 18.8473 19.0184 19.1085 19.2259 19.3733 19.4047 19.5797 19.7033 19.8378 19.9022 20.1008 20.2068 20.3600 20.3942 20.5505 20.6369 20.7652 20.9294 20.9868 21.1327 21.2966 21.3974 21.5588 21.6048 21.8473 -13.2521 -8.6847 -7.9789 -7.8652 -7.1245 -6.5935 -6.1211 -5.5329 -5.4746 -5.4535 -5.3529 -5.2815 -5.2570 -5.1966 -5.0894 -5.0687 -5.0334 -4.9055 -4.8845 -4.8500 -4.7966 -4.7832 -4.6837 -4.6609 -4.5980 -4.5697 -4.5396 -4.5132 -4.4697 -4.4117 -4.3890 -4.3392 -4.3293 -4.2851 -4.2623 -4.2293 -4.2039 -4.1766 -4.1347 -4.0622 -4.0456 -3.9981 -3.9742 -3.9428 -3.8785 -3.8215 -3.8057 -3.7926 -3.7876 -3.7603 -3.7418 -3.7216 -3.6842 -3.6464 -3.6302 -3.6062 -3.5909 -3.5691 -3.5604 -3.5337 -3.4665 -3.4242 -3.4107 -3.3613 -3.3494 -3.3372 -3.3098 -3.2980 -3.2468 -3.2040 -3.1937 -3.1825 -3.1746 -3.1236 -3.0547 -3.0340 -2.9992 -2.9809 -2.9562 -2.8569 -2.8063 -2.8005 -2.7833 -2.7697 -2.6919 -2.6862 -2.6452 -2.4595 -2.1072 -2.0142 -1.5191 -1.3291 -1.1327 -0.8723 -0.4087 -0.0789 0.4702 0.7919 1.4364 2.0287 2.7982 3.2120 4.0099 4.2070 4.4863 4.5405 4.8227 5.0441 5.1612 5.3611 5.5759 5.8979 6.0403 6.2244 6.3076 6.5240 6.7117 6.8890 7.0944 7.2289 7.4450 7.5560 7.7263 7.8749 8.0315 8.2372 8.4058 8.6259 8.7307 8.8429 8.8942 9.0547 9.3109 9.3745 9.5522 9.7952 9.8505 10.1053 10.2811 10.4974 10.6652 10.7358 10.8742 11.0537 11.2379 11.3393 11.4926 11.7060 11.9515 12.1341 12.2007 12.3285 12.4207 12.5087 12.7291 13.0397 13.2259 13.4808 13.8268 13.9608 14.0889 14.1657 14.2937 14.4454 14.6451 14.8081 14.9571 15.0526 15.2204 15.3722 15.4528 15.6257 15.6669 15.7927 15.9445 16.1592 16.2522 16.3399 16.5146 16.6121 16.7644 16.8518 16.9715 17.0295 17.2183 17.3419 17.4086 17.5473 17.6849 17.8194 18.0570 18.1538 18.2545 18.3130 18.4487 18.5409 18.6241 18.7206 18.7407 18.8464 19.0185 19.1099 19.2261 19.3729 19.4046 19.5802 19.7030 19.8396 19.9036 20.1012 20.2062 20.3600 20.3928 20.5534 20.6357 20.7668 20.9331 20.9880 21.1334 21.2953 21.3962 21.5608 21.6081 21.8471 -13.3109 -9.7275 -8.9198 -7.4442 -7.1781 -6.1173 -5.8716 -5.7001 -5.6913 -5.6487 -5.5985 -5.5802 -5.5450 -5.3339 -5.3043 -5.1953 -5.1752 -5.1749 -5.1586 -5.0964 -5.0012 -4.9199 -4.8127 -4.6340 -4.5873 -4.4701 -4.4117 -4.3164 -4.2297 -4.1861 -4.1557 -4.1494 -4.1174 -4.1028 -4.0825 -4.0404 -4.0061 -4.0000 -3.9902 -3.9700 -3.9697 -3.9573 -3.9331 -3.9060 -3.9028 -3.8398 -3.8049 -3.7729 -3.7085 -3.7040 -3.6463 -3.6359 -3.5595 -3.4436 -3.4086 -3.3938 -3.3373 -3.3046 -3.2646 -3.2619 -3.2350 -3.2011 -3.1777 -3.1223 -3.1019 -3.0364 -3.0148 -2.9917 -2.9658 -2.9069 -2.8947 -2.8860 -2.8772 -2.8624 -2.8475 -2.8264 -2.7999 -2.7829 -2.7772 -2.7467 -2.7251 -2.7184 -2.6657 -2.6420 -2.6313 -2.5893 -2.4102 -2.3616 -2.0987 -1.7784 -1.2966 -1.2258 -1.0540 -0.8054 -0.5211 -0.1227 0.4073 0.4922 1.0398 1.1669 1.5889 2.2489 2.9271 3.0988 3.1854 3.4433 3.6233 3.7909 3.9236 4.3922 4.5404 4.8835 4.9901 5.3016 5.7098 6.0631 6.2649 6.5051 6.7142 7.0181 7.1710 7.5157 7.7179 7.7241 8.3290 8.5373 8.7468 8.8989 9.2565 9.3389 9.5944 9.6604 9.7879 9.8317 10.1330 10.4261 10.5153 10.5706 10.7969 10.9743 11.0228 11.0887 11.1832 11.4741 11.5979 11.9445 12.1021 12.1631 12.2343 12.4071 12.4478 12.5746 12.7380 12.7670 12.9969 13.1870 13.3513 13.5893 13.6042 13.8140 13.9517 13.9682 14.0650 14.2320 14.4208 14.4903 14.8587 15.0832 15.1278 15.3940 15.5625 15.6214 15.7887 15.9305 16.0581 16.2084 16.4693 16.7811 16.8667 17.0759 17.1625 17.2141 17.3869 17.4838 17.6931 17.7559 17.8448 18.0250 18.2198 18.3909 18.4102 18.5989 18.7398 18.8099 18.8815 19.0017 19.0314 19.1952 19.2510 19.3821 19.4451 19.6378 19.6627 19.7308 19.7792 19.8624 19.9831 20.0815 20.2288 20.2833 20.4889 20.4968 20.6386 20.9535 20.9744 21.0900 21.1214 21.1361 21.2989 21.4213 21.4327 21.7509 21.8752 21.9619 -13.2853 -9.4630 -8.6681 -7.2419 -7.2188 -6.0430 -5.9574 -5.8941 -5.6823 -5.6366 -5.5119 -5.4684 -5.4288 -5.3063 -5.2204 -5.1245 -5.1009 -5.0945 -5.0826 -5.0066 -4.9141 -4.8627 -4.7469 -4.6458 -4.6191 -4.5151 -4.4523 -4.3825 -4.3362 -4.2677 -4.2301 -4.1725 -4.1611 -4.1255 -4.0965 -4.0720 -4.0593 -4.0348 -4.0273 -4.0083 -3.9919 -3.9737 -3.9494 -3.9149 -3.8803 -3.8740 -3.8504 -3.8299 -3.7956 -3.7223 -3.6895 -3.6272 -3.6071 -3.5796 -3.5351 -3.5216 -3.4624 -3.3949 -3.3561 -3.3008 -3.2951 -3.2545 -3.2151 -3.2010 -3.1881 -3.1756 -3.1576 -3.1223 -3.0899 -3.0393 -2.9819 -2.9755 -2.9661 -2.9424 -2.9159 -2.9010 -2.8811 -2.8680 -2.8523 -2.8175 -2.8068 -2.7365 -2.7201 -2.7109 -2.6815 -2.5857 -2.4438 -2.3084 -2.2643 -2.0768 -1.9435 -1.2713 -1.1519 -0.6760 -0.2346 0.1253 0.3775 0.6607 1.2693 1.5258 1.9205 2.6788 3.3128 3.5771 3.5965 3.8744 3.9704 4.2901 4.4530 4.7776 4.9567 5.1441 5.3357 5.6214 5.9531 6.2142 6.4665 6.6580 7.0227 7.2893 7.3822 7.5065 7.7322 7.9745 8.1109 8.3501 8.5236 8.5856 8.7096 9.1214 9.2885 9.4341 9.5643 9.8966 9.9741 10.2526 10.4408 10.4792 10.6941 10.8476 10.9863 11.1801 11.2535 11.3467 11.4622 11.5328 11.6845 11.8506 12.1024 12.2307 12.3356 12.4677 12.6481 12.8178 13.1123 13.2772 13.4632 13.5669 13.6800 13.7839 13.9770 14.0203 14.2465 14.3863 14.5214 14.6647 14.7331 14.8596 14.9990 15.2031 15.4823 15.6078 15.7364 15.8498 15.9867 16.0562 16.1745 16.2795 16.4913 16.6349 16.7868 16.9340 16.9657 17.2524 17.3664 17.4698 17.6260 17.7859 18.0391 18.1440 18.2734 18.3791 18.4510 18.6310 18.7103 18.8806 19.0182 19.1185 19.1935 19.2580 19.3733 19.5348 19.5589 19.8045 19.8796 19.9792 20.0909 20.1854 20.3643 20.4812 20.5788 20.6065 20.7591 20.9169 21.2106 21.2490 21.3193 21.3669 21.4456 21.5499 21.6593 21.7339 21.8882 21.9567 -13.2853 -9.4630 -8.6681 -7.2418 -7.2192 -6.0430 -5.9578 -5.8941 -5.6821 -5.6360 -5.5120 -5.4679 -5.4290 -5.3059 -5.2208 -5.1250 -5.1011 -5.0946 -5.0825 -5.0063 -4.9143 -4.8625 -4.7468 -4.6457 -4.6189 -4.5152 -4.4518 -4.3827 -4.3366 -4.2676 -4.2306 -4.1728 -4.1610 -4.1253 -4.0965 -4.0722 -4.0591 -4.0343 -4.0273 -4.0085 -3.9916 -3.9727 -3.9492 -3.9149 -3.8808 -3.8737 -3.8506 -3.8299 -3.7955 -3.7227 -3.6901 -3.6274 -3.6071 -3.5794 -3.5352 -3.5213 -3.4622 -3.3946 -3.3557 -3.3010 -3.2954 -3.2550 -3.2152 -3.2010 -3.1880 -3.1760 -3.1576 -3.1223 -3.0896 -3.0394 -2.9819 -2.9755 -2.9660 -2.9423 -2.9160 -2.9011 -2.8809 -2.8680 -2.8524 -2.8174 -2.8064 -2.7367 -2.7206 -2.7109 -2.6815 -2.5854 -2.4443 -2.3089 -2.2648 -2.0771 -1.9431 -1.2695 -1.1525 -0.6759 -0.2328 0.1264 0.3760 0.6587 1.2674 1.5267 1.9190 2.6808 3.3126 3.5766 3.5989 3.8748 3.9694 4.2895 4.4526 4.7782 4.9570 5.1441 5.3368 5.6217 5.9521 6.2113 6.4666 6.6591 7.0220 7.2901 7.3821 7.5064 7.7322 7.9748 8.1102 8.3507 8.5245 8.5862 8.7072 9.1250 9.2869 9.4341 9.5643 9.8970 9.9736 10.2542 10.4400 10.4799 10.6927 10.8475 10.9863 11.1782 11.2537 11.3466 11.4630 11.5331 11.6836 11.8530 12.1023 12.2310 12.3360 12.4671 12.6482 12.8169 13.1109 13.2778 13.4646 13.5690 13.6776 13.7819 13.9778 14.0204 14.2457 14.3862 14.5223 14.6647 14.7336 14.8597 14.9992 15.2020 15.4817 15.6083 15.7355 15.8489 15.9887 16.0569 16.1740 16.2788 16.4901 16.6348 16.7879 16.9349 16.9651 17.2520 17.3660 17.4706 17.6273 17.7844 18.0391 18.1421 18.2745 18.3776 18.4521 18.6300 18.7102 18.8780 19.0184 19.1187 19.1932 19.2573 19.3756 19.5347 19.5591 19.8057 19.8800 19.9788 20.0930 20.1852 20.3670 20.4822 20.5792 20.6064 20.7579 20.9158 21.2118 21.2481 21.3179 21.3670 21.4438 21.5499 21.6594 21.7353 21.8886 21.9562 -13.2554 -8.9650 -8.1730 -7.5410 -6.8357 -6.6268 -6.0711 -5.8612 -5.7121 -5.4918 -5.3600 -5.2876 -5.2390 -5.1967 -5.1203 -5.0285 -4.9807 -4.9594 -4.9267 -4.8923 -4.8055 -4.7736 -4.6850 -4.6391 -4.5960 -4.5640 -4.5521 -4.4816 -4.4335 -4.4091 -4.3760 -4.3361 -4.2995 -4.2635 -4.2303 -4.2137 -4.1607 -4.1469 -4.0759 -4.0361 -4.0218 -3.9886 -3.9700 -3.9379 -3.8963 -3.8578 -3.8451 -3.8234 -3.8137 -3.7835 -3.7508 -3.6957 -3.6587 -3.6361 -3.6248 -3.5876 -3.5485 -3.5268 -3.5140 -3.4825 -3.4596 -3.3878 -3.3508 -3.3382 -3.3197 -3.2874 -3.2778 -3.2194 -3.1917 -3.1746 -3.1428 -3.1204 -3.0997 -3.0714 -3.0140 -2.9839 -2.9234 -2.8836 -2.8701 -2.8606 -2.8391 -2.8176 -2.7937 -2.7426 -2.7300 -2.7243 -2.6154 -2.4321 -2.2909 -2.1058 -1.9290 -1.6219 -1.1336 -0.3784 -0.2094 0.2202 0.5847 1.0229 1.6532 1.9669 2.3519 2.7131 3.5257 3.8038 4.0491 4.3529 4.4625 5.0595 5.2231 5.4882 5.5970 5.7867 5.9007 6.1473 6.2287 6.3941 6.7134 6.8045 7.0290 7.1852 7.3575 7.5564 7.6517 7.8279 7.9063 8.1492 8.4581 8.5245 8.8304 9.0631 9.1949 9.2657 9.4726 9.6062 9.8373 9.9575 10.0841 10.2700 10.3178 10.5961 10.8229 10.9578 11.1015 11.3936 11.5413 11.6644 11.8041 11.9118 12.1700 12.2378 12.4404 12.5546 12.6232 12.6469 12.8624 13.0632 13.1901 13.2530 13.4158 13.5536 13.7867 13.9072 14.1055 14.2435 14.3644 14.5351 14.6140 14.7797 14.9269 15.0379 15.1703 15.3608 15.3929 15.5517 15.7683 15.8742 15.9707 16.1925 16.3104 16.4139 16.6195 16.7068 16.8023 17.0754 17.1675 17.2921 17.3533 17.5107 17.6477 17.7465 18.0322 18.1555 18.2614 18.3679 18.5465 18.7220 18.8191 18.9733 19.1151 19.2524 19.3018 19.3737 19.4582 19.6838 19.7835 19.8983 20.0481 20.1914 20.3029 20.3944 20.5389 20.6511 20.8028 20.9355 20.9777 21.0261 21.1668 21.2290 21.3854 21.5413 21.6303 21.9180 22.0034 22.1109 -13.2554 -8.9651 -8.1730 -7.5414 -6.8357 -6.6269 -6.0710 -5.8606 -5.7122 -5.4919 -5.3598 -5.2876 -5.2391 -5.1965 -5.1203 -5.0291 -4.9807 -4.9599 -4.9266 -4.8919 -4.8050 -4.7737 -4.6844 -4.6399 -4.5958 -4.5634 -4.5521 -4.4822 -4.4334 -4.4091 -4.3758 -4.3359 -4.2993 -4.2635 -4.2313 -4.2135 -4.1604 -4.1469 -4.0758 -4.0360 -4.0227 -3.9885 -3.9700 -3.9380 -3.8962 -3.8576 -3.8445 -3.8231 -3.8133 -3.7839 -3.7506 -3.6959 -3.6587 -3.6363 -3.6248 -3.5878 -3.5487 -3.5267 -3.5141 -3.4820 -3.4596 -3.3867 -3.3510 -3.3385 -3.3194 -3.2878 -3.2781 -3.2197 -3.1915 -3.1749 -3.1429 -3.1202 -3.0996 -3.0713 -3.0142 -2.9840 -2.9236 -2.8836 -2.8701 -2.8605 -2.8389 -2.8177 -2.7935 -2.7429 -2.7302 -2.7244 -2.6154 -2.4324 -2.2910 -2.1057 -1.9294 -1.6210 -1.1332 -0.3779 -0.2093 0.2204 0.5856 1.0215 1.6524 1.9661 2.3496 2.7142 3.5262 3.8037 4.0496 4.3546 4.4628 5.0598 5.2237 5.4874 5.5953 5.7864 5.9031 6.1476 6.2292 6.3927 6.7136 6.8055 7.0284 7.1850 7.3571 7.5552 7.6508 7.8280 7.9056 8.1495 8.4578 8.5249 8.8300 9.0639 9.1964 9.2684 9.4724 9.6044 9.8367 9.9576 10.0842 10.2698 10.3192 10.5952 10.8219 10.9573 11.1016 11.3944 11.5406 11.6666 11.8036 11.9119 12.1700 12.2378 12.4411 12.5538 12.6224 12.6476 12.8631 13.0629 13.1919 13.2524 13.4143 13.5536 13.7869 13.9061 14.1043 14.2433 14.3649 14.5354 14.6163 14.7803 14.9278 15.0368 15.1701 15.3587 15.3926 15.5512 15.7694 15.8719 15.9707 16.1926 16.3106 16.4146 16.6193 16.7053 16.8023 17.0758 17.1680 17.2931 17.3539 17.5110 17.6480 17.7437 18.0320 18.1557 18.2598 18.3692 18.5476 18.7195 18.8184 18.9717 19.1143 19.2532 19.3023 19.3728 19.4605 19.6865 19.7826 19.8991 20.0482 20.1927 20.3039 20.3934 20.5369 20.6521 20.8036 20.9351 20.9771 21.0284 21.1679 21.2294 21.3837 21.5413 21.6312 21.9188 22.0021 22.1121 -13.2438 -8.3792 -8.1364 -7.4723 -7.4076 -6.3766 -6.2464 -6.0586 -5.5868 -5.3604 -5.2800 -5.1380 -5.1052 -5.0843 -5.0576 -5.0152 -4.9734 -4.8571 -4.8448 -4.7912 -4.7475 -4.7327 -4.7099 -4.6684 -4.6168 -4.6110 -4.5892 -4.5422 -4.5144 -4.4517 -4.4437 -4.4014 -4.3699 -4.3415 -4.2799 -4.2648 -4.2061 -4.1889 -4.1685 -4.1366 -4.0423 -4.0134 -3.9833 -3.9706 -3.9444 -3.9341 -3.8807 -3.8378 -3.7890 -3.7734 -3.7484 -3.7344 -3.7287 -3.7149 -3.6799 -3.6480 -3.5440 -3.5283 -3.5132 -3.4875 -3.4617 -3.4465 -3.3977 -3.3859 -3.3647 -3.3531 -3.3190 -3.2799 -3.2346 -3.2152 -3.1787 -3.1632 -3.1198 -3.0963 -3.0892 -3.0203 -2.9989 -2.9958 -2.9418 -2.8635 -2.8500 -2.8260 -2.8181 -2.7502 -2.7355 -2.7191 -2.6293 -2.6068 -2.2365 -2.0323 -2.0075 -1.5406 -1.0126 -0.7671 -0.0448 0.2158 0.7692 1.2616 1.5156 2.1024 2.7037 3.6733 3.8018 4.0431 4.1351 4.5644 4.7308 4.8477 4.9822 5.1068 5.4773 5.8562 6.1322 6.2361 6.4638 6.6678 6.8417 6.9956 7.1248 7.2801 7.4063 7.6552 7.8683 8.0900 8.1960 8.4783 8.5073 8.7310 8.8462 8.9668 9.0685 9.3748 9.5104 9.5628 9.6473 9.8530 9.9956 10.2240 10.3336 10.4867 10.6641 10.7919 11.0870 11.2782 11.3063 11.4614 11.5278 11.6630 11.9327 12.0772 12.1997 12.3197 12.5385 12.7357 12.8354 12.9061 13.2271 13.2933 13.5295 13.6041 13.6680 13.7930 14.0467 14.1074 14.2436 14.4192 14.5284 14.6233 14.8506 15.0100 15.1308 15.3502 15.4867 15.5577 15.6904 15.8665 15.9081 15.9513 16.1464 16.3539 16.3926 16.5847 16.7750 16.8566 17.0064 17.1708 17.2956 17.4497 17.5565 17.7189 17.9342 18.1489 18.3009 18.4053 18.6032 18.7309 18.8644 18.9915 19.0669 19.2542 19.3946 19.5704 19.6326 19.7316 19.8481 20.0263 20.0950 20.1536 20.2342 20.3031 20.4063 20.4516 20.5829 20.7296 20.7972 20.8993 21.0680 21.2190 21.3537 21.4366 21.4595 21.5492 21.6859 21.8020 -13.2437 -8.3790 -8.1370 -7.4723 -7.4076 -6.3763 -6.2463 -6.0585 -5.5870 -5.3605 -5.2797 -5.1381 -5.1055 -5.0843 -5.0581 -5.0149 -4.9730 -4.8567 -4.8449 -4.7912 -4.7478 -4.7323 -4.7103 -4.6688 -4.6166 -4.6108 -4.5891 -4.5418 -4.5137 -4.4514 -4.4435 -4.4014 -4.3695 -4.3423 -4.2800 -4.2648 -4.2062 -4.1890 -4.1688 -4.1368 -4.0424 -4.0137 -3.9834 -3.9706 -3.9441 -3.9339 -3.8813 -3.8379 -3.7889 -3.7733 -3.7480 -3.7345 -3.7282 -3.7151 -3.6793 -3.6489 -3.5436 -3.5285 -3.5132 -3.4872 -3.4612 -3.4468 -3.3977 -3.3858 -3.3649 -3.3529 -3.3194 -3.2797 -3.2345 -3.2149 -3.1789 -3.1629 -3.1199 -3.0965 -3.0895 -3.0203 -2.9989 -2.9958 -2.9421 -2.8636 -2.8500 -2.8258 -2.8178 -2.7505 -2.7361 -2.7194 -2.6292 -2.6065 -2.2365 -2.0318 -2.0078 -1.5407 -1.0129 -0.7660 -0.0439 0.2154 0.7687 1.2617 1.5152 2.1017 2.7024 3.6734 3.8006 4.0437 4.1364 4.5632 4.7309 4.8500 4.9806 5.1076 5.4770 5.8563 6.1318 6.2369 6.4641 6.6678 6.8420 6.9960 7.1259 7.2814 7.4051 7.6560 7.8681 8.0897 8.1962 8.4766 8.5052 8.7296 8.8469 8.9664 9.0695 9.3745 9.5126 9.5612 9.6474 9.8541 9.9932 10.2227 10.3351 10.4862 10.6654 10.7930 11.0873 11.2780 11.3051 11.4624 11.5273 11.6622 11.9351 12.0788 12.1987 12.3191 12.5393 12.7362 12.8356 12.9060 13.2276 13.2932 13.5294 13.6038 13.6676 13.7932 14.0477 14.1069 14.2442 14.4193 14.5265 14.6221 14.8515 15.0095 15.1322 15.3488 15.4845 15.5563 15.6888 15.8679 15.9090 15.9529 16.1465 16.3515 16.3917 16.5859 16.7751 16.8567 17.0068 17.1686 17.2947 17.4507 17.5589 17.7164 17.9352 18.1499 18.2993 18.4063 18.6023 18.7301 18.8649 18.9909 19.0678 19.2522 19.3951 19.5715 19.6315 19.7310 19.8495 20.0286 20.0959 20.1541 20.2340 20.3021 20.4068 20.4513 20.5819 20.7291 20.7962 20.9002 21.0672 21.2205 21.3539 21.4392 21.4597 21.5510 21.6864 21.8003 -13.2592 -8.8943 -8.1166 -7.7552 -6.7441 -6.6598 -6.0807 -5.8923 -5.5805 -5.5426 -5.3619 -5.2944 -5.2272 -5.2031 -5.1138 -5.0260 -4.9943 -4.9508 -4.9302 -4.9042 -4.7938 -4.7772 -4.7094 -4.6205 -4.6054 -4.5777 -4.5228 -4.4820 -4.4270 -4.3931 -4.3782 -4.3501 -4.2945 -4.2747 -4.2586 -4.2018 -4.1795 -4.1402 -4.0866 -4.0316 -4.0080 -3.9966 -3.9634 -3.9240 -3.8881 -3.8612 -3.8314 -3.8179 -3.8051 -3.7762 -3.7453 -3.6836 -3.6583 -3.6366 -3.6148 -3.5699 -3.5472 -3.5279 -3.5106 -3.4823 -3.4588 -3.4381 -3.3556 -3.3211 -3.3070 -3.2948 -3.2804 -3.2244 -3.1951 -3.1676 -3.1422 -3.1223 -3.1095 -3.0811 -3.0118 -2.9814 -2.9222 -2.8908 -2.8774 -2.8638 -2.8342 -2.8173 -2.8002 -2.7378 -2.7328 -2.7239 -2.6432 -2.4401 -2.2443 -2.1004 -1.9411 -1.5034 -1.3363 -0.5531 -0.0540 0.2644 0.5075 1.0935 1.6281 2.0022 2.3841 2.9818 3.2729 3.9584 4.0090 4.3395 4.5489 4.9683 5.1643 5.5419 5.6360 5.7565 5.9433 5.9978 6.2293 6.4086 6.6335 6.8717 7.0510 7.2286 7.3140 7.5431 7.5960 7.8587 7.9391 8.0836 8.4365 8.6008 8.7919 8.9669 9.0977 9.2853 9.4825 9.6055 9.9003 9.9968 10.2225 10.2798 10.4821 10.5638 10.7717 10.8262 11.1095 11.3170 11.5141 11.6134 11.8108 11.8849 12.1500 12.2641 12.4072 12.5121 12.6646 12.7417 12.8669 13.1387 13.1560 13.2658 13.4945 13.6065 13.8229 13.9661 14.0887 14.3063 14.5050 14.5673 14.5859 14.6972 14.7709 14.9229 15.0415 15.1878 15.4278 15.4648 15.7885 15.9696 15.9940 16.1227 16.3756 16.4847 16.5181 16.7786 16.8587 17.0713 17.1150 17.1981 17.3643 17.5643 17.6594 17.7930 17.9498 18.1001 18.2931 18.4042 18.5531 18.7316 18.8074 18.9852 19.1523 19.1991 19.3689 19.4709 19.5904 19.7165 19.8860 19.9692 20.0376 20.1230 20.2935 20.3665 20.4848 20.6111 20.7560 20.8580 20.9797 21.0292 21.1539 21.3486 21.4650 21.6004 21.7021 21.8722 21.9587 21.9869 -13.2592 -8.8943 -8.1167 -7.7554 -6.7441 -6.6599 -6.0805 -5.8918 -5.5810 -5.5427 -5.3618 -5.2945 -5.2272 -5.2031 -5.1136 -5.0264 -4.9942 -4.9509 -4.9302 -4.9042 -4.7937 -4.7768 -4.7094 -4.6209 -4.6051 -4.5774 -4.5228 -4.4820 -4.4266 -4.3931 -4.3787 -4.3500 -4.2943 -4.2747 -4.2587 -4.2014 -4.1797 -4.1404 -4.0869 -4.0321 -4.0076 -3.9967 -3.9638 -3.9241 -3.8882 -3.8615 -3.8310 -3.8179 -3.8049 -3.7762 -3.7452 -3.6837 -3.6583 -3.6365 -3.6149 -3.5697 -3.5474 -3.5276 -3.5105 -3.4823 -3.4588 -3.4382 -3.3556 -3.3211 -3.3070 -3.2948 -3.2800 -3.2246 -3.1951 -3.1674 -3.1423 -3.1221 -3.1096 -3.0811 -3.0118 -2.9813 -2.9224 -2.8908 -2.8777 -2.8640 -2.8341 -2.8171 -2.8000 -2.7381 -2.7329 -2.7240 -2.6433 -2.4403 -2.2439 -2.1004 -1.9414 -1.5020 -1.3374 -0.5529 -0.0536 0.2645 0.5080 1.0927 1.6272 2.0026 2.3843 2.9812 3.2720 3.9587 4.0093 4.3397 4.5492 4.9680 5.1644 5.5406 5.6359 5.7565 5.9431 5.9994 6.2303 6.4089 6.6343 6.8727 7.0512 7.2279 7.3125 7.5427 7.5954 7.8582 7.9388 8.0850 8.4362 8.6014 8.7897 8.9697 9.0958 9.2856 9.4830 9.6030 9.9025 9.9987 10.2229 10.2797 10.4818 10.5635 10.7712 10.8256 11.1082 11.3182 11.5134 11.6146 11.8100 11.8855 12.1506 12.2643 12.4066 12.5122 12.6638 12.7407 12.8688 13.1365 13.1570 13.2646 13.4960 13.6060 13.8252 13.9654 14.0889 14.3049 14.5060 14.5689 14.5849 14.6976 14.7712 14.9217 15.0429 15.1879 15.4286 15.4653 15.7869 15.9680 15.9934 16.1221 16.3759 16.4840 16.5163 16.7793 16.8591 17.0718 17.1129 17.1972 17.3644 17.5662 17.6601 17.7923 17.9504 18.0999 18.2930 18.4053 18.5526 18.7302 18.8056 18.9862 19.1513 19.2000 19.3694 19.4698 19.5917 19.7173 19.8872 19.9702 20.0369 20.1224 20.2915 20.3685 20.4852 20.6109 20.7568 20.8589 20.9813 21.0283 21.1540 21.3475 21.4622 21.6004 21.7027 21.8726 21.9607 21.9870 -13.2900 -9.4306 -8.6308 -7.4182 -7.1770 -5.9877 -5.9531 -5.8840 -5.6867 -5.6123 -5.5462 -5.4303 -5.4100 -5.3684 -5.2120 -5.1267 -5.1102 -5.0867 -5.0691 -5.0231 -4.9112 -4.8292 -4.7747 -4.6349 -4.6111 -4.5301 -4.4447 -4.4054 -4.2817 -4.2685 -4.2267 -4.2049 -4.1863 -4.1170 -4.1107 -4.0934 -4.0580 -4.0497 -4.0380 -4.0179 -3.9714 -3.9630 -3.9414 -3.8953 -3.8575 -3.8502 -3.8405 -3.8351 -3.7994 -3.7278 -3.7146 -3.6197 -3.6068 -3.5579 -3.5356 -3.4780 -3.4513 -3.4261 -3.3485 -3.3152 -3.2859 -3.2445 -3.2113 -3.2070 -3.1821 -3.1726 -3.1639 -3.1314 -3.0976 -3.0302 -2.9816 -2.9728 -2.9662 -2.9368 -2.9287 -2.9074 -2.8867 -2.8822 -2.8459 -2.8224 -2.8116 -2.7306 -2.7191 -2.7136 -2.6881 -2.6175 -2.3939 -2.3030 -2.2462 -2.0455 -1.8594 -1.6563 -1.0317 -0.7275 -0.2413 -0.0559 0.5662 1.0674 1.1101 1.3697 2.0763 2.8118 3.2523 3.4402 3.6098 3.8131 4.0447 4.2809 4.4592 4.8289 4.9207 5.1109 5.3619 5.5002 5.9665 6.2229 6.4963 6.8620 6.9375 7.2033 7.2926 7.5494 7.7401 8.0321 8.1799 8.2731 8.3877 8.5381 8.7621 9.0617 9.3540 9.5509 9.5640 9.8575 10.0615 10.2814 10.4729 10.5318 10.6234 10.7807 10.9925 11.2228 11.2542 11.3226 11.3871 11.5220 11.7053 11.8300 12.1502 12.2150 12.2762 12.4056 12.6603 12.8343 13.0824 13.2696 13.3510 13.4379 13.5878 13.8485 13.9516 14.1433 14.1613 14.4972 14.6889 14.7646 14.8067 14.8519 15.1660 15.2739 15.3873 15.4569 15.6455 15.7975 15.9274 16.0767 16.1311 16.2084 16.4331 16.6475 16.7970 16.9412 17.1273 17.2274 17.3732 17.4133 17.5730 17.7593 17.9917 18.0714 18.1908 18.3919 18.4754 18.5843 18.7819 18.9055 19.1280 19.2503 19.2751 19.3620 19.4182 19.5957 19.7139 19.7649 19.9036 19.9800 20.0680 20.2047 20.3188 20.3583 20.5298 20.6875 20.7730 20.8233 21.1319 21.3044 21.3588 21.3958 21.4968 21.5983 21.7217 21.8123 21.8955 22.0086 -13.2726 -9.3605 -8.5692 -7.1941 -7.1088 -6.3990 -5.9946 -5.7298 -5.5770 -5.5700 -5.5241 -5.4376 -5.4344 -5.2277 -5.1937 -5.1126 -5.0866 -5.0495 -5.0474 -4.9528 -4.9084 -4.8470 -4.7076 -4.6693 -4.6116 -4.5114 -4.4510 -4.4362 -4.3945 -4.2997 -4.2470 -4.2103 -4.1844 -4.1647 -4.1212 -4.0880 -4.0862 -4.0590 -4.0441 -4.0211 -4.0142 -3.9668 -3.9453 -3.9163 -3.8751 -3.8745 -3.8440 -3.8076 -3.8044 -3.7765 -3.7135 -3.6714 -3.6234 -3.5975 -3.5814 -3.5519 -3.4678 -3.4454 -3.3820 -3.3564 -3.3258 -3.2862 -3.2813 -3.2700 -3.2458 -3.2167 -3.1666 -3.1338 -3.1283 -3.0958 -3.0316 -3.0246 -3.0072 -3.0063 -2.9565 -2.9461 -2.9180 -2.9127 -2.8265 -2.8166 -2.8021 -2.7911 -2.7743 -2.7201 -2.7056 -2.6743 -2.5129 -2.4458 -2.2885 -1.9262 -1.4920 -1.2785 -1.1591 -0.6475 -0.6435 -0.0671 0.1861 0.7572 1.4385 1.8918 2.2941 2.8450 3.3791 3.5725 3.7002 3.9822 4.1770 4.2070 4.7942 4.9838 5.2251 5.3696 5.5378 5.7444 6.1663 6.3848 6.4608 6.7961 6.9851 7.3729 7.4059 7.6304 7.7028 8.0833 8.1839 8.3391 8.4941 8.6767 8.8420 8.9562 9.2644 9.3440 9.3589 9.5906 9.8363 9.8605 10.0524 10.1937 10.3270 10.5016 10.7707 10.8391 11.1217 11.3391 11.4259 11.7756 11.8219 11.9029 12.0561 12.2845 12.4272 12.6712 12.8445 12.9029 13.1886 13.2614 13.3070 13.6249 13.7726 13.8770 14.0137 14.2925 14.4007 14.4598 14.5031 14.5289 14.7110 14.8194 14.9695 15.1956 15.3700 15.5651 15.6428 15.7877 15.8733 16.0885 16.1946 16.3131 16.3599 16.7316 16.8718 16.8845 17.0165 17.2537 17.3298 17.4821 17.6068 17.8383 17.9806 18.0616 18.2786 18.3585 18.4220 18.5660 18.5934 18.7226 18.8410 18.9082 18.9679 19.2665 19.2934 19.5424 19.6343 19.6415 19.7963 19.8053 19.9507 20.0474 20.1672 20.2943 20.4121 20.5313 20.5798 20.7835 20.8644 20.9307 21.1037 21.1885 21.2284 21.4294 21.5662 21.6592 21.7761 22.0089 -13.2507 -9.0343 -8.2228 -7.2326 -6.9640 -6.6477 -6.0424 -6.0148 -5.6127 -5.5514 -5.3817 -5.2630 -5.2331 -5.1763 -5.1179 -5.0170 -4.9847 -4.9535 -4.9250 -4.8634 -4.8227 -4.7951 -4.6704 -4.6136 -4.5938 -4.5637 -4.5444 -4.4967 -4.4647 -4.4096 -4.3565 -4.3306 -4.2933 -4.2783 -4.2313 -4.2120 -4.1671 -4.1272 -4.0848 -4.0464 -4.0212 -3.9874 -3.9528 -3.9422 -3.9180 -3.8704 -3.8425 -3.8265 -3.8166 -3.7851 -3.7483 -3.6923 -3.6692 -3.6425 -3.6096 -3.5826 -3.5518 -3.5241 -3.5151 -3.4851 -3.4676 -3.4011 -3.3524 -3.3341 -3.3072 -3.2940 -3.2820 -3.2243 -3.1894 -3.1783 -3.1444 -3.1165 -3.0931 -3.0687 -3.0102 -2.9684 -2.9269 -2.8860 -2.8744 -2.8485 -2.8317 -2.8170 -2.7922 -2.7525 -2.7211 -2.7191 -2.6343 -2.4799 -2.2364 -2.1032 -1.9210 -1.5480 -1.1817 -0.4506 -0.0698 0.2984 0.4092 1.1208 1.5015 1.9029 2.3737 2.9208 3.2231 3.9215 4.0232 4.3191 4.5393 5.0659 5.2359 5.4323 5.4684 5.6955 6.0251 6.1166 6.2361 6.5051 6.6546 6.9475 7.0732 7.2573 7.3112 7.5346 7.6796 7.7914 8.0392 8.2022 8.3499 8.5349 8.7687 8.8687 9.1137 9.2919 9.4158 9.6427 9.9210 10.0577 10.1453 10.3217 10.5247 10.6264 10.7791 10.9364 11.0764 11.2776 11.4302 11.5753 11.8076 11.9426 12.0412 12.1915 12.3711 12.4908 12.6831 12.8953 12.9529 13.1127 13.2391 13.3044 13.5475 13.7127 13.8270 13.9434 14.0694 14.2340 14.3353 14.4448 14.5743 14.6698 14.7427 15.0297 15.1493 15.2515 15.3130 15.3784 15.6736 15.9906 16.0731 16.1875 16.3056 16.4947 16.5996 16.7571 16.9311 17.1165 17.2276 17.2906 17.4166 17.6197 17.6947 17.7716 17.9908 18.0762 18.3134 18.4172 18.5026 18.6057 18.7495 18.8270 18.9556 19.1874 19.2533 19.3393 19.5248 19.6955 19.8598 19.9854 20.0596 20.0969 20.2928 20.4750 20.5787 20.7852 20.8717 20.9415 21.0608 21.1341 21.2256 21.2914 21.4005 21.4888 21.6154 21.7977 21.9003 22.0152 -13.2507 -9.0343 -8.2228 -7.2328 -6.9641 -6.6477 -6.0424 -6.0149 -5.6127 -5.5509 -5.3816 -5.2627 -5.2334 -5.1761 -5.1181 -5.0172 -4.9848 -4.9539 -4.9249 -4.8631 -4.8224 -4.7955 -4.6699 -4.6143 -4.5937 -4.5629 -4.5446 -4.4969 -4.4650 -4.4099 -4.3564 -4.3307 -4.2937 -4.2781 -4.2305 -4.2118 -4.1668 -4.1276 -4.0850 -4.0463 -4.0212 -3.9881 -3.9525 -3.9419 -3.9178 -3.8703 -3.8421 -3.8263 -3.8166 -3.7853 -3.7484 -3.6924 -3.6694 -3.6424 -3.6099 -3.5827 -3.5523 -3.5239 -3.5154 -3.4848 -3.4674 -3.4000 -3.3527 -3.3347 -3.3071 -3.2941 -3.2824 -3.2244 -3.1895 -3.1786 -3.1442 -3.1161 -3.0932 -3.0685 -3.0104 -2.9688 -2.9269 -2.8857 -2.8744 -2.8484 -2.8314 -2.8173 -2.7924 -2.7525 -2.7211 -2.7191 -2.6340 -2.4799 -2.2370 -2.1031 -1.9208 -1.5483 -1.1808 -0.4503 -0.0700 0.2986 0.4087 1.1209 1.5020 1.9015 2.3712 2.9223 3.2237 3.9214 4.0244 4.3191 4.5396 5.0677 5.2362 5.4315 5.4679 5.6970 6.0231 6.1161 6.2364 6.5046 6.6550 6.9451 7.0735 7.2574 7.3120 7.5331 7.6783 7.7933 8.0384 8.2035 8.3499 8.5343 8.7692 8.8695 9.1155 9.2924 9.4154 9.6419 9.9203 10.0577 10.1451 10.3221 10.5246 10.6267 10.7789 10.9354 11.0764 11.2781 11.4324 11.5750 11.8087 11.9423 12.0405 12.1898 12.3713 12.4911 12.6830 12.8956 12.9526 13.1148 13.2378 13.3037 13.5457 13.7135 13.8287 13.9414 14.0712 14.2343 14.3357 14.4447 14.5719 14.6702 14.7444 15.0303 15.1496 15.2505 15.3115 15.3757 15.6757 15.9919 16.0736 16.1868 16.3051 16.4936 16.5985 16.7567 16.9323 17.1160 17.2291 17.2922 17.4162 17.6206 17.6931 17.7721 17.9905 18.0777 18.3110 18.4190 18.5010 18.6058 18.7485 18.8273 18.9565 19.1878 19.2542 19.3394 19.5250 19.6955 19.8581 19.9873 20.0594 20.0957 20.2921 20.4732 20.5809 20.7848 20.8700 20.9422 21.0607 21.1330 21.2274 21.2924 21.4023 21.4875 21.6160 21.7997 21.8993 22.0139 -13.2363 -8.5829 -7.6741 -7.5941 -6.9125 -6.7688 -6.4864 -5.9475 -5.8634 -5.4422 -5.1840 -5.1052 -5.0592 -5.0175 -4.9917 -4.9109 -4.8827 -4.8492 -4.8308 -4.8013 -4.7295 -4.7085 -4.6921 -4.6728 -4.6516 -4.6058 -4.5765 -4.5551 -4.5259 -4.5094 -4.4857 -4.4591 -4.4173 -4.3584 -4.3290 -4.2988 -4.2537 -4.2073 -4.1430 -4.0929 -4.0680 -4.0658 -4.0122 -4.0057 -3.9904 -3.9477 -3.9043 -3.8959 -3.8274 -3.8137 -3.7876 -3.7392 -3.7184 -3.7053 -3.6687 -3.6192 -3.5666 -3.5188 -3.5003 -3.4971 -3.4827 -3.3979 -3.3887 -3.3699 -3.3390 -3.3141 -3.2372 -3.2242 -3.2130 -3.1853 -3.1404 -3.1312 -3.0930 -3.0828 -3.0691 -3.0158 -2.9919 -2.9086 -2.8803 -2.8716 -2.8588 -2.8472 -2.8391 -2.8184 -2.8037 -2.7210 -2.6910 -2.6553 -2.4298 -2.3674 -1.9370 -1.7211 -1.2413 -0.3811 -0.1776 0.7879 1.4223 1.6810 1.8418 2.2033 2.6563 2.9534 3.2057 3.7473 3.8486 4.3356 4.5581 4.7118 5.0614 5.3130 5.5159 5.6314 5.8210 6.0787 6.4872 6.6077 6.7969 6.9439 7.3036 7.3558 7.5938 7.8339 8.0498 8.1510 8.3139 8.4883 8.8515 8.8858 9.0220 9.2514 9.3475 9.5796 9.7536 9.7927 10.0075 10.1292 10.2395 10.5392 10.7093 10.8126 10.9403 11.1062 11.2498 11.3276 11.3870 11.4659 11.6531 11.7277 11.9024 12.0079 12.1544 12.3012 12.4300 12.5496 12.6049 12.6652 12.8919 12.9705 13.0898 13.2865 13.3262 13.5244 13.6273 13.8127 13.9419 14.0351 14.2657 14.3959 14.6163 14.7180 14.8110 15.0453 15.2042 15.3392 15.4764 15.5965 15.7591 15.9119 16.0089 16.1352 16.3181 16.4398 16.5810 16.7949 16.8992 17.0128 17.3310 17.5372 17.5958 17.7691 17.8998 18.0594 18.2312 18.3699 18.5056 18.6046 18.8209 18.9668 19.1201 19.2606 19.3228 19.5478 19.7638 19.8768 19.9815 20.0497 20.2799 20.3506 20.5923 20.6556 20.8442 20.9642 21.0220 21.1123 21.2500 21.3883 21.5039 21.5695 21.6618 21.9042 22.0486 22.1042 22.2111 22.2698 -13.2363 -8.5830 -7.6740 -7.5945 -6.9124 -6.7688 -6.4864 -5.9474 -5.8633 -5.4422 -5.1838 -5.1054 -5.0593 -5.0175 -4.9916 -4.9109 -4.8827 -4.8492 -4.8307 -4.8015 -4.7294 -4.7086 -4.6924 -4.6725 -4.6520 -4.6058 -4.5769 -4.5549 -4.5254 -4.5094 -4.4855 -4.4593 -4.4163 -4.3588 -4.3291 -4.2986 -4.2540 -4.2072 -4.1430 -4.0930 -4.0679 -4.0659 -4.0122 -4.0057 -3.9903 -3.9481 -3.9044 -3.8953 -3.8279 -3.8136 -3.7868 -3.7396 -3.7184 -3.7052 -3.6685 -3.6198 -3.5666 -3.5187 -3.5000 -3.4971 -3.4826 -3.3979 -3.3887 -3.3702 -3.3392 -3.3143 -3.2370 -3.2239 -3.2132 -3.1851 -3.1402 -3.1312 -3.0932 -3.0828 -3.0693 -3.0162 -2.9919 -2.9086 -2.8802 -2.8716 -2.8588 -2.8470 -2.8393 -2.8184 -2.8038 -2.7211 -2.6911 -2.6554 -2.4296 -2.3676 -1.9365 -1.7217 -1.2409 -0.3804 -0.1782 0.7879 1.4229 1.6815 1.8401 2.2022 2.6576 2.9518 3.2048 3.7480 3.8494 4.3354 4.5598 4.7125 5.0622 5.3131 5.5157 5.6285 5.8207 6.0791 6.4876 6.6088 6.7974 6.9447 7.3041 7.3548 7.5922 7.8330 8.0494 8.1522 8.3114 8.4892 8.8523 8.8848 9.0231 9.2511 9.3497 9.5804 9.7542 9.7917 10.0060 10.1284 10.2386 10.5399 10.7104 10.8131 10.9403 11.1075 11.2479 11.3279 11.3873 11.4643 11.6530 11.7286 11.9033 12.0059 12.1548 12.3015 12.4320 12.5496 12.6039 12.6661 12.8927 12.9704 13.0890 13.2870 13.3267 13.5234 13.6274 13.8143 13.9431 14.0325 14.2649 14.3954 14.6161 14.7183 14.8094 15.0464 15.2033 15.3386 15.4779 15.5985 15.7594 15.9131 16.0085 16.1337 16.3161 16.4381 16.5788 16.7930 16.9010 17.0154 17.3320 17.5372 17.5964 17.7690 17.8989 18.0581 18.2320 18.3698 18.5078 18.6037 18.8211 18.9663 19.1190 19.2606 19.3233 19.5499 19.7646 19.8778 19.9819 20.0485 20.2802 20.3509 20.5918 20.6533 20.8430 20.9630 21.0241 21.1128 21.2499 21.3879 21.5036 21.5690 21.6616 21.9047 22.0485 22.1032 22.2130 22.2695 -13.2401 -8.3078 -8.1057 -7.5057 -6.9331 -6.7818 -6.2969 -6.1225 -5.7852 -5.3589 -5.2537 -5.0990 -5.0403 -5.0294 -4.9938 -4.9398 -4.8801 -4.8497 -4.8253 -4.8197 -4.7251 -4.7096 -4.6902 -4.6526 -4.6420 -4.6233 -4.5730 -4.5618 -4.5319 -4.5078 -4.5003 -4.4275 -4.4038 -4.4009 -4.3236 -4.2875 -4.2348 -4.2120 -4.1392 -4.1060 -4.0772 -4.0503 -4.0138 -4.0068 -4.0016 -3.9344 -3.9043 -3.8876 -3.8123 -3.8109 -3.7691 -3.7484 -3.7191 -3.7083 -3.6802 -3.6261 -3.5534 -3.5300 -3.5121 -3.4869 -3.4580 -3.3922 -3.3783 -3.3593 -3.3528 -3.3028 -3.2477 -3.2178 -3.1990 -3.1919 -3.1746 -3.1327 -3.1189 -3.0759 -3.0702 -3.0147 -2.9936 -2.9017 -2.8862 -2.8642 -2.8616 -2.8549 -2.8385 -2.8197 -2.8101 -2.7069 -2.6952 -2.6560 -2.4566 -2.3519 -1.9264 -1.7417 -1.1466 -0.7090 0.0230 0.9286 1.0921 1.6650 2.0546 2.3792 2.5501 2.9545 3.3695 3.5922 3.9257 4.4058 4.5002 4.7655 4.9663 5.2865 5.4142 5.7385 5.9385 6.2693 6.3035 6.6201 6.7403 6.9055 6.9479 7.3244 7.7442 7.9267 8.0765 8.2130 8.3444 8.5746 8.6907 8.7826 9.0341 9.2264 9.3218 9.4751 9.7872 9.9141 10.0356 10.1750 10.2631 10.3888 10.6846 10.8947 10.9487 11.0902 11.2201 11.3589 11.4920 11.5859 11.6006 11.6409 11.9122 11.9331 12.2016 12.2256 12.3769 12.5021 12.5550 12.7595 12.9076 13.0522 13.1325 13.3065 13.4403 13.4978 13.6409 13.7081 13.8951 14.1330 14.3534 14.3959 14.5813 14.7651 14.8676 14.9672 15.2162 15.2364 15.3977 15.6262 15.7245 15.8015 15.9257 16.1213 16.1618 16.4679 16.7255 16.8007 17.0037 17.1794 17.3003 17.4999 17.5211 17.6878 17.8960 18.0793 18.2237 18.3230 18.4728 18.6762 18.9136 18.9444 19.1155 19.2790 19.6016 19.6170 19.7127 19.7698 19.8945 20.0903 20.2880 20.4968 20.5756 20.7527 20.8757 20.9554 21.0437 21.1851 21.2319 21.4260 21.4503 21.4585 21.6567 21.7530 21.9711 22.0991 22.2086 22.2519 -13.2416 -8.9329 -8.0430 -7.3257 -7.0648 -6.7929 -6.2154 -5.6531 -5.4921 -5.4515 -5.3103 -5.2832 -5.2627 -5.1348 -5.0918 -5.0646 -4.9975 -4.8994 -4.8735 -4.8372 -4.7890 -4.7869 -4.6623 -4.6093 -4.6089 -4.5790 -4.5380 -4.5064 -4.4917 -4.4229 -4.3854 -4.3511 -4.3346 -4.2968 -4.2628 -4.2402 -4.1968 -4.1805 -4.1337 -4.0969 -4.0020 -3.9928 -3.9838 -3.9462 -3.8973 -3.8347 -3.8153 -3.7942 -3.7923 -3.7509 -3.7497 -3.7170 -3.7121 -3.6396 -3.6319 -3.6146 -3.6083 -3.5800 -3.5419 -3.5368 -3.5001 -3.4318 -3.3871 -3.3575 -3.3405 -3.3400 -3.3064 -3.2928 -3.2627 -3.2053 -3.1983 -3.1664 -3.1606 -3.1218 -3.0709 -3.0037 -2.9873 -2.9842 -2.9664 -2.8534 -2.8056 -2.7935 -2.7858 -2.7482 -2.7054 -2.6712 -2.6447 -2.4728 -2.1233 -1.9558 -1.4948 -1.2896 -1.1415 -0.6551 -0.6151 -0.0446 0.4110 0.8322 1.3539 2.0584 2.7449 2.9898 3.9320 4.2015 4.4218 4.6729 4.9048 4.9900 5.2307 5.3487 5.4020 5.8933 5.9593 6.1243 6.4575 6.5523 6.7190 7.0129 7.2168 7.3511 7.5861 7.5935 7.7744 7.8289 7.9432 8.2483 8.5409 8.5888 8.6203 8.8012 8.9019 9.0622 9.2957 9.4327 9.4766 9.8210 9.8351 10.1017 10.1799 10.6004 10.6363 10.7703 10.8012 10.9485 11.2457 11.5623 11.6546 11.7264 11.9605 12.0403 12.1154 12.3317 12.4568 12.4727 12.7842 12.8493 13.2351 13.5773 13.7985 14.0043 14.0706 14.2650 14.4043 14.4361 14.5452 14.8766 14.9496 15.1526 15.3073 15.3102 15.4477 15.5093 15.6279 15.6725 15.7423 16.0050 16.1908 16.5268 16.5813 16.7521 16.7747 16.8907 16.8978 17.1485 17.2199 17.3181 17.3925 17.5001 17.5593 17.7710 18.0948 18.1855 18.2093 18.4791 18.5588 18.6072 18.6703 18.7540 18.7592 18.9412 19.0573 19.1133 19.1376 19.3417 19.4653 19.5535 19.6732 19.6762 19.9224 19.9503 20.1677 20.2133 20.3501 20.3962 20.5974 20.6303 20.7806 20.9663 21.1200 21.3388 21.3755 21.5268 21.6756 21.7484 -13.2353 -8.7618 -7.7088 -7.4772 -7.2026 -6.6825 -6.1900 -6.0535 -5.5969 -5.5025 -5.1587 -5.1505 -5.1043 -5.0887 -5.0667 -4.9735 -4.9607 -4.8745 -4.8084 -4.7701 -4.7423 -4.7198 -4.6997 -4.6757 -4.6168 -4.5953 -4.5731 -4.5614 -4.4904 -4.4614 -4.4410 -4.4272 -4.4087 -4.3326 -4.2854 -4.2639 -4.2599 -4.1832 -4.1634 -4.1399 -4.0337 -3.9969 -3.9745 -3.9658 -3.9503 -3.9431 -3.8800 -3.8564 -3.7882 -3.7762 -3.7595 -3.7432 -3.7278 -3.7163 -3.6834 -3.6311 -3.5754 -3.5291 -3.5054 -3.4865 -3.4769 -3.4572 -3.4163 -3.3839 -3.3667 -3.3473 -3.3086 -3.2799 -3.2350 -3.2097 -3.1717 -3.1535 -3.1225 -3.1053 -3.0661 -3.0132 -3.0057 -2.9799 -2.9512 -2.8606 -2.8436 -2.8292 -2.8036 -2.7574 -2.7469 -2.7214 -2.6280 -2.5893 -2.2044 -2.0688 -1.9779 -1.5205 -1.0599 -0.6036 -0.0846 0.3015 0.6072 1.2469 1.5287 2.1570 2.6318 3.3024 3.8025 4.0143 4.4373 4.5192 4.6440 4.7463 4.9791 5.2429 5.4234 5.7616 6.1241 6.2907 6.5310 6.5922 6.8810 7.0217 7.1691 7.4057 7.5888 7.7870 7.8351 8.0251 8.2089 8.4651 8.5422 8.5628 8.7463 9.0900 9.1619 9.3924 9.4567 9.6056 9.8144 9.9102 9.9983 10.0924 10.1968 10.5398 10.6829 10.7856 10.9593 11.0827 11.2434 11.3842 11.6180 11.7839 11.8934 12.1043 12.2342 12.4039 12.5931 12.7895 13.0377 13.1627 13.2479 13.3093 13.3395 13.5428 13.6261 13.8046 13.9821 14.0492 14.2603 14.2794 14.4999 14.6184 14.7257 14.8593 15.0319 15.2835 15.3755 15.5854 15.7346 15.7890 16.0590 16.1141 16.2284 16.5734 16.6060 16.6898 16.9007 16.9120 16.9987 17.1837 17.2442 17.3354 17.4721 17.6429 17.9947 18.0677 18.1443 18.2418 18.5529 18.7170 18.9731 19.0485 19.1921 19.2473 19.3966 19.4193 19.5670 19.8137 19.8606 19.8824 20.0161 20.0659 20.1686 20.1972 20.4038 20.4527 20.5581 20.6997 20.9481 20.9539 21.0773 21.2456 21.2854 21.4665 21.5323 21.6070 21.6978 21.9922</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="5600">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00185 0.71868 0.01084 -0.02202 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01989 0.97717 0.16689 -0.00875 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01916 0.97660 0.16660 -0.00930 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00020 0.91181 0.65305 -0.00752 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00021 0.91070 0.65287 -0.00750 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00802 1.02929 0.55431 -0.03544 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00809 1.02929 0.55433 -0.03543 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00002 1.00852 0.88597 0.23744 -0.02435 -0.00010 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.97830 0.63377 -0.00370 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.97565 0.63617 -0.00369 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00111 0.55805 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00113 0.55653 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00564 0.11054 -0.01585 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00563 0.11150 -0.01564 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01033 1.03170 -0.00023 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01055 1.03200 -0.00023 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00049 0.16409 -0.00903 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01220 0.98823 0.66241 -0.00210 -0.00193 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00494 0.74818 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00491 0.74499 -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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00009 0.92325 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00009 0.92230 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00005 0.61216 -0.00669 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.01173 1.00145 0.59101 -0.00245 -0.00104 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.00792 0.25852 -0.00080 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="57"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="50"
                          units="nonsi2:ev.angstrom-1">-0.016520 -0.008751 0.056484 0.018363 0.014099 0.040612 0.021067 0.009785 0.039342 -0.012739 -0.007261 0.102302 0.003760 -0.001964 -0.089762 -0.074572 0.031815 -0.088264 -0.007881 -0.084226 -0.090979 0.066068 0.036243 -0.019965 0.088198 0.056416 -0.263731 -0.069377 -0.047807 -0.207568 -0.081370 -0.035263 -0.194373 0.118098 0.069676 -0.016623 0.427922 0.258171 0.402586 0.599924 -0.676685 0.152460 -0.321838 0.751668 0.255591 -0.177227 -0.096324 0.815270 -0.331709 -0.184388 -0.334166 -0.087007 -0.155152 -0.848786 -0.163159 0.069949 0.289572 -0.016393 -0.008900 0.056506 0.018738 0.014205 0.041337 0.021539 0.009750 0.040078 -0.012605 -0.007381 0.102371 0.005937 -0.001011 -0.091830 -0.073970 0.030150 -0.094068 -0.009015 -0.083325 -0.096835 0.066573 0.036455 -0.024270 0.073817 0.050642 -0.215323 -0.071014 -0.037511 -0.175917 -0.073114 -0.041675 -0.163812 0.117578 0.067989 -0.011068 0.374219 0.225304 0.362751 0.509767 -0.548343 0.140819 -0.252411 0.637225 0.232657 -0.135279 -0.073048 0.771276 -0.332389 -0.184101 -0.316441 -0.097401 -0.162585 -0.795727 -0.114579 0.076161 0.237496 -0.016541 -0.008581 0.055222 0.019170 0.015131 0.041714 0.022269 0.010315 0.040531 -0.012833 -0.007056 0.101405 0.011963 0.002597 -0.099309 -0.072774 0.025669 -0.113252 -0.013207 -0.079849 -0.116216 0.067441 0.037791 -0.038546 0.037637 0.029878 -0.088150 -0.072669 -0.006570 -0.082616 -0.044231 -0.059201 -0.072105 0.119831 0.066075 -0.000536 0.215841 0.132688 0.251616 0.260708 -0.168193 0.099731 -0.047294 0.300363 0.162126 -0.003255 -0.003008 0.648833 -0.355667 -0.199868 -0.257574 -0.134146 -0.185488 -0.623815 0.017757 0.097308 0.090942 -0.016215 -0.009124 0.053294 0.020169 0.015491 0.042866 0.023932 0.010004 0.041845 -0.012829 -0.007687 0.100536 0.024904 0.008671 -0.114462 -0.069872 0.014695 -0.152827 -0.021805 -0.073839 -0.156381 0.069315 0.039087 -0.066922 -0.027755 -0.007102 0.127594 -0.069059 0.047442 0.085106 0.005244 -0.081279 0.090595 0.117185 0.058659 0.016144 -0.131072 -0.068535 0.021071 -0.205515 0.633544 -0.018836 0.418281 -0.401285 0.008116 0.266822 0.143438 0.386557 -0.395399 -0.229483 -0.097328 -0.230154 -0.235552 -0.209602 0.233822 0.142855 -0.157366 -0.016385 -0.008779 0.053796 0.019778 0.015599 0.042664 0.023418 0.010271 0.041630 -0.013029 -0.007350 0.101023 0.022395 0.007796 -0.111373 -0.070585 0.016899 -0.145527 -0.020428 -0.074723 -0.148967 0.068811 0.039077 -0.061558 -0.016846 -0.002446 0.093850 -0.070517 0.038089 0.057803 -0.002970 -0.077931 0.064367 0.117338 0.059873 0.014283 -0.069537 -0.031640 0.062097 -0.123123 0.485997 0.005140 0.329506 -0.274502 0.035086 0.217928 0.116211 0.430705 -0.384564 -0.220831 -0.127960 -0.210983 -0.226320 -0.289735 0.199794 0.134710 -0.117326 -0.016911 -0.008642 0.053545 0.019991 0.015939 0.042788 0.023631 0.010849 0.041866 -0.013249 -0.007217 0.099954 0.022685 0.008191 -0.101888 -0.071531 0.018082 -0.147306 -0.020219 -0.075809 -0.151647 0.068845 0.039722 -0.060618 -0.016097 -0.001336 0.086125 -0.052344 0.036413 0.079125 0.002908 -0.062663 0.084236 0.097283 0.050470 0.043224 -0.067971 -0.032320 0.029677 -0.081834 0.428024 -0.007532 0.313901 -0.213850 0.006816 0.184243 0.101279 0.346096 -0.397328 -0.234675 -0.092608 -0.203347 -0.203134 -0.260289 0.207343 0.130677 -0.091565 -0.017821 -0.008541 0.051346 0.021012 0.016486 0.041497 0.024687 0.012092 0.040798 -0.013303 -0.007138 0.096003 0.023933 0.008871 -0.074752 -0.073752 0.021287 -0.153876 -0.019071 -0.079323 -0.161092 0.069238 0.041209 -0.058631 -0.014649 -0.000029 0.059920 0.002701 0.029745 0.138100 0.020579 -0.012131 0.139992 0.023345 0.016331 0.126276 -0.084105 -0.043884 -0.070541 0.041686 0.252005 -0.049666 0.263692 -0.026953 -0.074840 0.087637 0.053778 0.072285 -0.432213 -0.270023 0.044202 -0.153115 -0.118583 -0.162673 0.229518 0.114800 -0.004347 -0.018680 -0.008932 0.047745 0.023112 0.016392 0.040246 0.027032 0.013376 0.040115 -0.012605 -0.008073 0.088011 0.026398 0.008713 -0.024693 -0.077273 0.026807 -0.165893 -0.016012 -0.087175 -0.179152 0.070210 0.043075 -0.054418 -0.015703 0.001256 0.003229 0.130287 0.011114 0.241041 0.067446 0.103096 0.238021 -0.138104 -0.066684 0.256510 -0.260804 -0.145690 -0.384065 0.283322 -0.118696 -0.130204 0.144483 0.373067 -0.233537 -0.092346 -0.031251 -0.580738 -0.519237 -0.326926 0.472881 0.111381 0.133244 0.109236 0.267092 0.063288 0.215665 -0.018047 -0.008901 0.049282 0.022731 0.016427 0.040779 0.026532 0.012860 0.040426 -0.012526 -0.007744 0.091333 0.025880 0.008794 -0.043372 -0.075570 0.024545 -0.161116 -0.016883 -0.084172 -0.171952 0.070271 0.042307 -0.055949 -0.014650 0.000983 0.025979 0.076305 0.018657 0.203221 0.047386 0.055109 0.203324 -0.071977 -0.032961 0.212221 -0.163704 -0.092068 -0.239527 0.189470 0.026787 -0.098871 0.191985 0.216792 -0.170512 -0.027179 0.001194 -0.311911 -0.481243 -0.304724 0.274968 -0.022666 0.019683 -0.011559 0.253886 0.086433 0.123234 -0.019026 -0.009393 0.048948 0.023540 0.016374 0.040739 0.027185 0.013426 0.040605 -0.013280 -0.008604 0.090365 0.024459 0.007685 -0.005327 -0.068135 0.020128 -0.130014 -0.016937 -0.074933 -0.141418 0.061128 0.037343 -0.031069 -0.000326 0.006814 -0.037254 0.080321 0.010580 0.150878 0.044255 0.063287 0.148452 -0.063569 -0.024327 0.134662 -0.090584 -0.051952 -0.227457 0.127332 -0.083832 -0.036100 0.055643 0.178148 -0.098957 0.038867 0.042732 -0.229989 -0.439694 -0.274394 0.164407 0.027813 0.055214 -0.006800 0.201007 0.075704 0.125330 -0.021424 -0.010028 0.047822 0.024963 0.017010 0.041230 0.028610 0.014743 0.041761 -0.014219 -0.009706 0.087853 0.019731 0.004661 0.100338 -0.047824 0.008441 -0.043360 -0.017023 -0.048712 -0.056610 0.035148 0.023768 0.039016 0.041140 0.021879 -0.246007 0.096167 -0.005643 -0.010438 0.036181 0.089582 -0.014249 -0.038229 0.001973 -0.110464 0.138065 0.068654 -0.201836 -0.070540 -0.417778 0.154953 -0.371687 0.055093 0.135265 0.209953 0.163015 0.013041 -0.311007 -0.195323 -0.137793 0.210416 0.170969 0.026421 0.051578 0.047401 0.133056 -0.021089 -0.010074 0.047304 0.025497 0.017366 0.040195 0.029168 0.014745 0.041030 -0.013823 -0.009560 0.087372 0.017991 0.003590 0.112172 -0.025697 0.004649 -0.036472 -0.010067 -0.026193 -0.047509 0.018703 0.014557 0.044049 0.021636 0.005530 -0.138581 0.050187 0.015965 -0.078104 0.039168 0.046430 -0.083419 0.021021 0.026144 -0.126784 0.049073 0.025773 -0.173303 -0.084869 -0.164057 0.133691 -0.176356 -0.068334 0.126643 0.157150 0.113815 0.060263 -0.252263 -0.163283 -0.232868 0.123000 0.122208 0.109480 0.031573 0.030730 0.114839 -0.021650 -0.010420 0.046071 0.024701 0.017175 0.038432 0.028232 0.014194 0.039798 -0.014519 -0.009681 0.086166 0.012228 0.000649 0.138375 0.021323 -0.006659 -0.028355 0.001595 0.024213 -0.035733 -0.019907 -0.006892 0.050541 -0.013159 -0.020366 0.076140 -0.048715 0.077063 -0.229610 0.056537 -0.055035 -0.241547 0.145632 0.080741 -0.172793 -0.145656 -0.076681 -0.106890 -0.121043 0.427045 0.104828 0.281632 -0.362401 0.116029 0.037123 -0.004784 0.175891 -0.097456 -0.056454 -0.423168 -0.109930 -0.021119 0.304815 -0.016969 -0.010587 0.061010 -0.021635 -0.011014 0.045994 0.024910 0.016673 0.038816 0.028531 0.013672 0.040079 -0.014356 -0.010271 0.086052 0.013651 0.000760 0.132041 0.009970 -0.004250 -0.029654 -0.000976 0.011275 -0.037726 -0.010924 -0.002519 0.049189 -0.006933 -0.015462 0.029765 -0.025871 0.060706 -0.192437 0.049846 -0.030984 -0.203784 0.117698 0.068150 -0.159361 -0.099879 -0.052089 -0.123427 -0.109972 0.274792 0.111708 0.166523 -0.282366 0.118636 0.069667 0.028725 0.146069 -0.136667 -0.082507 -0.383372 -0.048760 0.017400 0.255582 -0.004824 -0.000691 0.075829 -0.020473 -0.010222 0.046198 0.023928 0.016005 0.038298 0.027010 0.013583 0.039546 -0.013427 -0.009154 0.082927 0.018511 0.005617 0.104422 0.020417 0.002006 -0.063475 0.007888 0.018332 -0.068695 -0.010386 -0.002022 0.006230 -0.008856 -0.014224 0.083537 -0.010582 0.050300 -0.139863 0.046912 -0.016123 -0.150438 0.062515 0.023177 0.015423 0.105615 0.061801 -0.021887 0.081448 0.093446 0.007886 0.066336 0.025142 0.014942 -0.091293 -0.079582 0.010486 -0.076403 -0.044175 -0.298297 -0.159057 -0.073381 0.112546 -0.070104 -0.060527 0.180212 -0.020156 -0.009548 0.045834 0.023021 0.015760 0.038049 0.025793 0.013725 0.039251 -0.013274 -0.008380 0.080830 0.020729 0.008426 0.089560 0.025698 0.005688 -0.082221 0.012371 0.022302 -0.085749 -0.010651 -0.001671 -0.017263 -0.010835 -0.012506 0.107048 -0.001594 0.045772 -0.114521 0.046300 -0.005308 -0.122846 0.034078 0.002226 0.097503 0.201378 0.115476 0.030377 0.174967 -0.003329 -0.048460 0.012975 0.182186 -0.039254 -0.172084 -0.136429 -0.048244 -0.029154 -0.021724 -0.245809 -0.213460 -0.118291 0.038080 -0.106101 -0.094375 0.237834 -0.017881 -0.008362 0.042521 0.022897 0.015074 0.038411 0.025242 0.013777 0.039133 -0.011063 -0.007167 0.075285 0.039342 0.022252 0.054335 0.016978 0.002692 -0.092878 0.005822 0.014854 -0.096001 0.010827 0.010200 -0.072572 0.019345 0.008791 0.100961 0.026188 -0.004483 -0.015240 0.010091 0.030051 -0.016138 -0.007804 -0.015166 0.098505 0.124901 0.071416 -0.033151 -0.029987 0.041707 -0.002446 -0.023193 -0.036474 0.020767 0.015380 -0.014959 -0.158403 -0.016524 -0.009601 -0.032657 -0.132277 -0.075161 -0.002330 -0.078282 -0.059441 0.051898 -0.016345 -0.008128 0.042088 0.022829 0.014254 0.038684 0.025066 0.013169 0.039201 -0.009556 -0.006923 0.074083 0.045563 0.026242 0.043269 0.014755 0.001433 -0.096002 0.004288 0.012213 -0.099002 0.018220 0.013655 -0.090316 0.028677 0.016006 0.099323 0.034211 -0.021942 0.016739 -0.003569 0.040247 0.018392 -0.021613 -0.020957 0.097716 0.098159 0.057159 -0.055718 -0.092844 0.054478 0.008497 -0.032455 -0.101163 0.036012 0.071346 0.022665 -0.190870 -0.008182 0.001173 0.034252 -0.107940 -0.062788 -0.012852 -0.070610 -0.050794 -0.003497 -0.016584 -0.007990 0.039897 0.022416 0.014463 0.039460 0.025016 0.013006 0.039624 -0.009523 -0.006801 0.073910 0.055844 0.033081 0.038441 0.005003 -0.005104 -0.070595 -0.005607 0.006295 -0.074502 0.029168 0.020434 -0.083052 0.014246 0.010739 0.027585 0.024354 0.009490 -0.008794 0.015960 0.006695 -0.004049 -0.003872 -0.006953 0.049290 -0.048325 -0.026735 -0.068248 -0.013855 -0.007810 0.041727 -0.019647 -0.011689 0.062178 -0.019960 -0.022508 -0.119005 0.014994 0.017385 -0.018013 0.007443 0.010012 0.035859 -0.077071 -0.046010 -0.001712 -0.016621 -0.008304 0.039324 0.021856 0.013984 0.039812 0.024665 0.012276 0.039802 -0.009415 -0.007124 0.074323 0.059313 0.035005 0.036521 0.001494 -0.007828 -0.061525 -0.009161 0.003754 -0.065724 0.032843 0.022323 -0.080677 0.009111 0.008343 0.002377 0.019547 0.021240 -0.017847 0.022984 -0.005263 -0.013823 0.003226 -0.000771 0.032752 -0.099944 -0.055716 -0.076234 0.013723 -0.029105 0.053891 -0.016140 0.020553 0.071978 -0.052975 -0.038554 -0.095295 0.024009 0.023425 -0.036254 0.051063 0.036514 0.057818 -0.079577 -0.044751 -0.001219 -0.016715 -0.008176 0.038563 0.021608 0.013917 0.040381 0.024386 0.012314 0.040138 -0.009518 -0.007043 0.074113 0.068369 0.039352 0.032804 -0.003871 -0.014132 -0.046727 -0.016719 0.002243 -0.051564 0.042189 0.028643 -0.086070 -0.012521 -0.004384 -0.042641 0.016102 0.021674 -0.021249 0.024530 -0.006630 -0.015976 0.008053 0.002897 -0.008007 -0.004412 -0.004890 0.030659 -0.021305 -0.043118 0.063574 -0.032471 -0.001777 0.069519 -0.036336 -0.021645 -0.051062 0.032256 0.030113 -0.028718 -0.014176 0.001180 -0.011812 -0.069449 -0.040537 -0.025925 -0.016704 -0.008135 0.038434 0.021051 0.013630 0.040976 0.023920 0.011999 0.040595 -0.009501 -0.007059 0.074784 0.074016 0.041920 0.030671 -0.007366 -0.018249 -0.036921 -0.021613 0.001143 -0.042105 0.048076 0.032565 -0.089407 -0.028578 -0.012794 -0.077179 0.014248 0.020939 -0.022754 0.024393 -0.008330 -0.017325 0.011785 0.004776 -0.034975 0.058480 0.027811 0.100215 -0.044169 -0.049575 0.066772 -0.044767 -0.017500 0.067082 -0.024468 -0.010244 -0.016939 0.036130 0.034297 -0.025829 -0.052766 -0.019822 -0.054559 -0.062167 -0.037372 -0.041536 -0.016273 -0.008287 0.037785 0.020480 0.013143 0.040247 0.023456 0.011233 0.039593 -0.009179 -0.007106 0.076061 0.081231 0.043819 0.020585 -0.007125 -0.022176 -0.037634 -0.024105 0.002956 -0.043927 0.053096 0.036123 -0.114761 -0.004401 -0.004004 -0.020948 0.004893 -0.016416 0.001057 -0.008099 0.007172 0.001505 0.004347 0.000963 -0.029021 -0.008322 -0.012504 0.039783 -0.025073 0.005432 0.023553 0.003991 -0.025026 0.022191 -0.018132 -0.000057 0.002100 0.024295 0.025778 -0.007606 -0.045579 -0.019794 -0.013650 -0.049500 -0.031250 -0.036913 -0.016130 -0.007834 0.037609 0.020177 0.013387 0.039951 0.023151 0.011410 0.039140 -0.009136 -0.006609 0.076776 0.086189 0.045656 0.013727 -0.007017 -0.024296 -0.037681 -0.025872 0.004842 -0.044716 0.056555 0.039228 -0.132070 0.013069 0.003333 0.014148 -0.001573 -0.042613 0.015873 -0.032756 0.017383 0.017504 -0.001259 -0.000418 -0.028443 -0.055089 -0.041296 -0.002904 -0.014724 0.044427 -0.005963 0.040384 -0.036772 -0.010792 -0.012101 0.006316 0.014648 0.016747 0.019037 0.010757 -0.040339 -0.019280 0.016157 -0.040276 -0.025900 -0.033723 -0.016272 -0.008229 0.037494 0.020129 0.013482 0.040039 0.023067 0.011085 0.039172 -0.009466 -0.006661 0.077158 0.088535 0.045600 0.008224 -0.007062 -0.023609 -0.039478 -0.025217 0.003959 -0.046907 0.055617 0.038688 -0.128256 -0.004690 -0.007390 0.011826 -0.010230 -0.019845 0.019843 -0.016660 0.001089 0.016377 -0.008450 -0.003622 -0.006878 -0.020637 -0.015688 0.007497 0.011790 -0.025953 -0.025710 -0.012705 0.023795 -0.026489 -0.023175 -0.007426 0.003741 0.003309 0.011364 0.017165 -0.016072 -0.011245 0.000750 -0.031811 -0.019395 -0.005569 -0.016255 -0.008177 0.037254 0.020354 0.013581 0.039933 0.023228 0.011248 0.039047 -0.009385 -0.006570 0.077160 0.089327 0.045737 0.006575 -0.006895 -0.023276 -0.040307 -0.024875 0.003845 -0.047785 0.055440 0.038654 -0.127458 -0.009016 -0.010122 0.010808 -0.011889 -0.014646 0.020563 -0.012433 -0.002390 0.015737 -0.009897 -0.004471 -0.001931 -0.011776 -0.008550 0.011256 0.019167 -0.044916 -0.030646 -0.027183 0.039730 -0.033187 -0.027111 -0.011595 0.002432 -0.001782 0.008541 0.022367 -0.009680 -0.009089 -0.003473 -0.029341 -0.017533 0.001655 -0.016359 -0.008336 0.037036 0.020659 0.013767 0.039930 0.023381 0.011396 0.038980 -0.009624 -0.006560 0.077006 0.087838 0.044897 0.008770 -0.006926 -0.022046 -0.038553 -0.023859 0.002733 -0.045196 0.052474 0.035969 -0.116418 -0.019232 -0.014446 0.001988 -0.015427 0.004685 0.009252 0.001027 -0.014744 0.002805 -0.006553 -0.005067 -0.007243 -0.013553 -0.005674 0.018053 -0.032579 -0.018368 -0.014471 -0.030137 -0.014953 -0.016387 -0.001747 -0.002860 0.008667 -0.009886 0.003019 0.018116 0.002131 -0.004333 0.001996 -0.001629 0.000921 -0.024332 -0.016254 -0.008462 0.037043 0.020896 0.013769 0.040052 0.023567 0.011382 0.039101 -0.009588 -0.006609 0.077090 0.087421 0.044531 0.009773 -0.006794 -0.021662 -0.037793 -0.023348 0.002264 -0.044142 0.051591 0.034967 -0.112406 -0.023154 -0.015109 -0.001080 -0.017401 0.010280 0.005118 0.005636 -0.018334 -0.001884 -0.005560 -0.005335 -0.009414 -0.013959 -0.004768 0.020828 -0.049544 -0.008872 -0.009164 -0.031866 -0.033830 -0.011309 0.007675 0.000204 0.011879 -0.013780 0.001040 0.015326 0.006246 -0.002719 0.003994 0.008216 0.007263 -0.033013 -0.015992 -0.008347 0.037778 0.021688 0.013936 0.040453 0.024061 0.011939 0.039368 -0.009542 -0.006585 0.077072 0.083387 0.043190 0.015473 -0.007370 -0.019266 -0.035811 -0.021081 0.000055 -0.041231 0.049791 0.032027 -0.107895 -0.009501 -0.006295 -0.004608 -0.014289 -0.001196 -0.006555 -0.007926 -0.010592 -0.009225 -0.008789 -0.004448 -0.003664 -0.022224 -0.010917 0.009474 -0.029390 -0.004532 -0.009704 -0.019011 -0.023355 -0.011427 -0.018864 -0.016074 0.013234 -0.018076 -0.001346 0.001447 0.008245 -0.001268 0.011836 0.014883 0.013072 -0.016014 -0.016127 -0.008478 0.038658 0.022302 0.014007 0.040658 0.024228 0.012465 0.039459 -0.009975 -0.006714 0.076904 0.076336 0.040823 0.024123 -0.008873 -0.015706 -0.033120 -0.017979 -0.003719 -0.037082 0.046324 0.026892 -0.100510 0.010876 0.005643 -0.009031 -0.010632 -0.020754 -0.026795 -0.031269 0.003152 -0.018290 -0.012279 -0.003334 0.006244 -0.033087 -0.019839 -0.012468 0.009703 0.008553 -0.009054 0.003147 -0.001174 -0.016179 -0.064794 -0.043852 0.019622 -0.024680 -0.011274 -0.018600 0.010879 0.000888 0.024174 0.025902 0.022421 0.011287 -0.016341 -0.008573 0.038226 0.021988 0.013771 0.040597 0.023811 0.012362 0.039565 -0.010330 -0.006905 0.076551 0.074366 0.040015 0.024689 -0.010252 -0.015602 -0.034159 -0.018642 -0.005318 -0.037619 0.044422 0.025171 -0.098163 0.008699 0.006528 -0.013901 -0.007832 -0.019513 -0.026470 -0.031411 0.003104 -0.014288 -0.014505 -0.006308 0.005572 -0.017105 -0.009061 -0.007946 0.007976 0.005276 -0.006377 0.000647 0.000545 -0.015497 -0.052059 -0.038328 0.018598 -0.028356 -0.013962 -0.017562 0.000764 -0.003459 0.013371 0.024161 0.020256 0.014811 -0.016691 -0.008782 0.038389 0.022417 0.013625 0.041210 0.023608 0.012953 0.040425 -0.011221 -0.007171 0.076140 0.069200 0.038114 0.026882 -0.013665 -0.014965 -0.037233 -0.019942 -0.009531 -0.039199 0.039489 0.020653 -0.090643 0.002133 0.008811 -0.026742 -0.005943 -0.013287 -0.023440 -0.028705 0.000660 -0.007233 -0.017545 -0.010032 0.006904 0.034462 0.019997 0.006149 -0.004769 -0.007658 -0.001720 -0.010398 -0.006461 -0.014328 -0.022028 -0.016925 0.011523 -0.031133 -0.018304 -0.015659 -0.028477 -0.015668 -0.017336 0.019208 0.013970 0.025911 -0.016288 -0.008675 0.037922 0.022305 0.013550 0.041399 0.023639 0.012680 0.040733 -0.010810 -0.007123 0.076496 0.069869 0.037342 0.024274 -0.013641 -0.016998 -0.040275 -0.022010 -0.008761 -0.043396 0.037000 0.020436 -0.091443 -0.004679 0.003260 -0.012778 -0.008658 0.000333 -0.012610 -0.014807 -0.008040 -0.004991 -0.012831 -0.007646 0.004849 0.003847 0.003459 -0.013736 -0.011363 0.005354 -0.002231 -0.003951 -0.014768 -0.014786 -0.002310 -0.005324 0.005679 -0.033894 -0.019670 -0.011170 -0.014943 -0.007865 -0.002937 0.013523 0.008457 0.019000 -0.015920 -0.008522 0.037233 0.022536 0.013625 0.041478 0.023826 0.012788 0.041044 -0.010572 -0.006992 0.076400 0.070852 0.036541 0.020367 -0.013517 -0.019518 -0.044837 -0.024723 -0.007493 -0.049505 0.033752 0.020354 -0.092874 -0.014596 -0.002353 0.005371 -0.011453 0.016753 0.000613 0.004128 -0.019270 -0.002705 -0.009778 -0.005081 0.000046 -0.036991 -0.018975 -0.040581 -0.019226 0.022702 -0.002816 0.006026 -0.027788 -0.012581 0.020397 0.007475 0.000122 -0.034760 -0.018803 -0.002718 0.003478 0.002905 0.016029 0.006541 0.001653 0.009914 -0.015589 -0.008308 0.036982 0.022668 0.013633 0.041476 0.023824 0.012929 0.041232 -0.010368 -0.006819 0.076187 0.070470 0.035631 0.019296 -0.014344 -0.021020 -0.047238 -0.026585 -0.006981 -0.052853 0.032286 0.020638 -0.096024 -0.017872 -0.007235 0.006776 -0.009420 0.015850 0.007564 0.008901 -0.016207 -0.001643 -0.007680 -0.003899 -0.000527 -0.027707 -0.012786 -0.032624 -0.007898 0.004711 -0.002836 -0.004680 -0.009924 -0.008958 0.017334 0.006611 0.000190 -0.032385 -0.014715 -0.002761 0.002554 0.002038 0.003671 -0.003510 -0.004149 0.012090 -0.015161 -0.008247 0.036543 0.022664 0.013249 0.041671 0.023614 0.012883 0.041866 -0.010246 -0.006870 0.075576 0.069238 0.032940 0.016805 -0.016834 -0.025234 -0.053167 -0.031651 -0.006126 -0.061331 0.028278 0.021008 -0.104057 -0.021527 -0.015870 0.007364 -0.007007 0.016211 0.025122 0.018543 -0.010763 0.001276 -0.004034 0.001174 -0.004923 -0.005027 -0.000586 -0.015295 0.016716 -0.042102 0.000235 -0.030129 0.035239 0.001700 0.015127 0.009124 -0.002296 -0.024506 -0.007372 0.001208 -0.000193 -0.000233 -0.026355 -0.027866 -0.018427 0.018059 -0.015432 -0.008049 0.036749 0.022424 0.013380 0.041715 0.023235 0.013236 0.041836 -0.010605 -0.006629 0.075065 0.066046 0.032279 0.018604 -0.018677 -0.025966 -0.054373 -0.032922 -0.005834 -0.061568 0.026497 0.019938 -0.108381 -0.013084 -0.013009 0.008887 -0.003331 0.003193 0.020404 0.009058 -0.002576 -0.000109 -0.002351 0.003860 -0.006729 -0.005456 -0.001727 -0.006687 0.008799 -0.022880 0.007990 -0.017931 0.018425 0.011548 0.012472 0.009190 0.001845 -0.013837 -0.005801 -0.002891 -0.008516 -0.004992 -0.028758 -0.026389 -0.016037 0.004853 -0.015207 -0.008372 0.036836 0.022592 0.012868 0.041729 0.023186 0.013050 0.041871 -0.010552 -0.006932 0.074314 0.062016 0.030690 0.021041 -0.020784 -0.027601 -0.056092 -0.034146 -0.006109 -0.061876 0.024505 0.017729 -0.114542 -0.001940 -0.008973 0.007582 0.001380 -0.014115 0.014141 -0.000921 0.010100 -0.002252 0.001851 0.006332 -0.007596 -0.003788 -0.005546 0.005709 -0.004990 0.006617 0.016977 0.003275 -0.005663 0.024345 0.008668 0.010178 0.009177 -0.011280 0.001347 -0.005069 -0.019647 -0.012165 -0.032379 -0.024218 -0.013434 -0.013916 -0.014884 -0.008373 0.036904 0.022939 0.013041 0.041962 0.023570 0.013060 0.041989 -0.010257 -0.006787 0.074286 0.060336 0.031323 0.021785 -0.021464 -0.027047 -0.056778 -0.033329 -0.006770 -0.059704 0.024058 0.015430 -0.112927 -0.000754 -0.004821 0.005547 0.001581 -0.011334 0.004016 -0.002101 0.007866 -0.000449 0.003582 0.003734 -0.000156 -0.013499 -0.012058 -0.000621 0.002217 0.006761 0.014159 0.007347 0.000605 0.019078 -0.004933 0.002594 0.002760 -0.013173 0.000750 -0.005643 -0.010883 -0.006735 -0.018530 -0.020356 -0.011239 -0.007677 -0.015654 -0.008549 0.037218 0.022095 0.013043 0.041876 0.022595 0.012950 0.041743 -0.011220 -0.006615 0.073955 0.054971 0.032589 0.023101 -0.024664 -0.025943 -0.058742 -0.033037 -0.008539 -0.054999 0.021393 0.009916 -0.109508 0.003996 0.005347 0.003394 -0.001091 -0.003875 -0.014910 -0.002858 0.004505 0.005157 0.007466 -0.003176 0.018471 -0.037517 -0.025749 -0.020520 0.019412 0.004116 0.006635 0.021138 0.018272 0.004058 -0.037155 -0.018057 -0.012979 -0.006243 -0.000507 -0.004231 0.008650 0.006232 0.013631 -0.012275 -0.005960 0.006649 -0.015405 -0.008388 0.036778 0.022457 0.013287 0.042531 0.022952 0.013115 0.042267 -0.010879 -0.006548 0.073814 0.054659 0.033171 0.023957 -0.025088 -0.025902 -0.058202 -0.033168 -0.008986 -0.053895 0.021109 0.008956 -0.108218 0.000736 0.003824 -0.002409 -0.000009 -0.000049 -0.016054 -0.001717 0.002211 0.005891 0.006881 -0.004181 0.018386 -0.024998 -0.017579 -0.013253 0.009291 0.000186 0.005581 0.011766 0.011188 0.002842 -0.032139 -0.016665 -0.016207 -0.005275 0.000606 -0.000552 0.007171 0.005324 0.011915 -0.008346 -0.003569 0.004828 -0.015303 -0.008586 0.036326 0.022396 0.013134 0.042361 0.022778 0.012937 0.041952 -0.010933 -0.006571 0.073136 0.053554 0.033805 0.024988 -0.026614 -0.026361 -0.057606 -0.034129 -0.010378 -0.052088 0.019841 0.006666 -0.105863 -0.004121 0.002422 -0.014637 0.001571 0.008532 -0.019396 0.003055 -0.001926 0.006487 0.005763 -0.005137 0.017920 0.005397 0.001034 0.003351 -0.012367 -0.009250 0.004563 -0.005896 -0.002872 0.000605 -0.020628 -0.012618 -0.020980 -0.007447 0.000678 0.009978 0.003870 0.003348 0.008122 -0.000788 0.001144 0.000785 -0.015396 -0.008436 0.036201 0.022344 0.013243 0.042397 0.022723 0.013102 0.042154 -0.011027 -0.006500 0.073234 0.054301 0.033656 0.025398 -0.026356 -0.026968 -0.056420 -0.035093 -0.010054 -0.053026 0.019137 0.007355 -0.107815 -0.000208 0.001806 -0.009520 0.002731 0.004745 -0.013066 0.000941 -0.000914 0.004745 0.002581 -0.003808 0.012624 0.004004 0.001889 0.001631 -0.014847 -0.005268 0.002684 -0.007034 -0.008675 0.001321 -0.012181 -0.009259 -0.014783 -0.004556 0.002487 0.005697 0.001082 0.001351 0.007956 -0.003146 0.000247 -0.001412 -0.015231 -0.008518 0.035921 0.022520 0.013139 0.042496 0.022871 0.013024 0.042401 -0.010906 -0.006631 0.073259 0.057132 0.032656 0.026659 -0.025133 -0.029146 -0.053656 -0.037709 -0.009317 -0.055657 0.017306 0.009064 -0.113146 0.007268 0.000688 0.000738 0.006997 -0.002627 0.000978 -0.003577 0.001342 0.000204 -0.004757 0.000306 -0.000896 0.002179 0.005850 -0.001957 -0.023477 0.003748 -0.000516 -0.008391 -0.022417 0.001698 0.007869 0.001349 -0.001105 -0.002644 0.002965 0.001594 -0.004712 -0.003343 0.007629 -0.007604 -0.002131 -0.006647 -0.015355 -0.008412 0.035805 0.022338 0.013228 0.042512 0.022724 0.013080 0.042529 -0.011020 -0.006550 0.073525 0.057844 0.032281 0.026298 -0.024845 -0.029661 -0.053268 -0.038482 -0.008896 -0.055990 0.016641 0.009721 -0.114000 0.005033 0.000665 0.003662 0.004178 -0.002120 0.002901 -0.001631 -0.000099 -0.002337 -0.003881 0.000218 -0.001503 -0.001770 0.002644 -0.000006 -0.004663 -0.002713 -0.005288 -0.007605 -0.002662 -0.002183 -0.002464 -0.002627 0.001432 -0.000514 0.000746 -0.003384 -0.005006 -0.003563 0.007230 -0.011523 -0.005278 0.002067 -0.015214 -0.008348 0.035832 0.022497 0.013304 0.042520 0.022877 0.013157 0.042551 -0.010902 -0.006499 0.073465 0.058617 0.032077 0.025939 -0.024398 -0.030005 -0.053228 -0.038796 -0.008541 -0.056334 0.016382 0.010184 -0.114607 0.004504 0.000823 0.004757 0.002834 -0.001487 0.004053 -0.000464 -0.000827 -0.003692 -0.003528 -0.000036 -0.001570 -0.003725 0.001423 -0.000167 0.003336 -0.006499 -0.006424 -0.008189 0.004823 -0.003890 -0.007893 -0.005164 0.002058 0.000301 0.002098 -0.004789 -0.004968 -0.003730 0.006975 -0.013270 -0.006753 0.006548 -0.015254 -0.008323 0.035615 0.022393 0.013292 0.042462 0.022814 0.013124 0.042645 -0.010897 -0.006493 0.073559 0.058920 0.031994 0.025195 -0.024453 -0.030403 -0.053349 -0.038925 -0.008373 -0.055500 0.016551 0.010250 -0.114133 -0.000129 0.000258 0.003866 -0.000463 0.000391 0.003367 0.001721 -0.002448 -0.002992 -0.000465 -0.000855 -0.003233 -0.004674 -0.001530 0.001867 0.001560 -0.002241 -0.004001 -0.005346 0.002005 -0.003054 -0.005774 -0.001605 0.002787 -0.002280 0.000597 -0.003666 -0.005601 -0.003498 0.005694 -0.009699 -0.006141 0.002870 -0.015164 -0.008244 0.035589 0.022445 0.013323 0.042725 0.022903 0.013160 0.043034 -0.010812 -0.006460 0.073703 0.059565 0.031859 0.023882 -0.024429 -0.031142 -0.053627 -0.039227 -0.007863 -0.053376 0.017099 0.010391 -0.113016 -0.008892 -0.000380 0.000840 -0.009651 0.004334 0.001027 0.006785 -0.006278 -0.001265 0.006541 -0.003412 -0.006651 -0.008230 -0.008552 0.006854 -0.001740 0.008359 0.003974 0.001284 -0.002995 -0.002615 -0.004758 0.002311 0.001808 -0.005033 -0.000601 -0.001503 -0.006832 -0.003039 0.002948 -0.001854 -0.004773 -0.004331 -0.015285 -0.008117 0.035733 0.022346 0.013420 0.042821 0.022710 0.013370 0.043006 -0.010988 -0.006304 0.073558 0.059146 0.031953 0.023923 -0.024894 -0.031034 -0.053491 -0.039119 -0.007908 -0.053318 0.017444 0.010350 -0.113337 -0.007236 -0.001381 -0.000274 -0.007802 0.001355 0.001656 0.002364 -0.002826 0.001173 0.003302 -0.001832 -0.004927 -0.004672 -0.006700 0.006201 -0.000252 0.002141 0.004701 -0.001904 -0.001926 -0.001527 -0.002441 0.001621 -0.000190 -0.006297 -0.002214 0.000105 -0.005882 -0.001632 -0.000987 -0.000541 -0.002337 -0.004824 -0.015228 -0.007987 0.035893 0.022460 0.013502 0.042951 0.022700 0.013602 0.043004 -0.011015 -0.006161 0.073362 0.058339 0.032044 0.024130 -0.025542 -0.030694 -0.053481 -0.038488 -0.008213 -0.053635 0.018496 0.010157 -0.114591 -0.004035 -0.003242 -0.002442 -0.002467 -0.004003 0.002802 -0.004889 0.001858 0.004858 -0.001615 -0.000072 -0.002738 0.003483 -0.003055 0.005655 -0.001655 -0.007123 0.005548 -0.006969 -0.000433 0.002303 -0.002607 0.000555 -0.002930 -0.009096 -0.003171 0.002672 -0.003889 0.000696 -0.007629 0.002017 0.001739 -0.005732</matrix>
               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
               <molecule id="calculation.position.2">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05574"
                           xFract="0.13681596"
                           y3="0.60587"
                           yFract="0.13508446"
                           z3="5.42671"
                           zFract="0.25180893"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35567"
                           xFract="0.13922088"
                           y3="2.84704"
                           yFract="0.63477454"
                           z3="5.50617"
                           zFract="0.24806148"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.64646"
                           xFract="0.63619919"
                           y3="0.61918"
                           yFract="0.13805205"
                           z3="5.50696"
                           zFract="0.24809491"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92477"
                           xFract="0.63601475"
                           y3="2.84603"
                           yFract="0.63454935"
                           z3="5.66341"
                           zFract="0.2480638"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20364"
                           xFract="0.28471319"
                           y3="1.27239"
                           yFract="0.28369141"
                           z3="7.57806"
                           zFract="0.34881876"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.50802"
                           xFract="0.28455105"
                           y3="3.54442"
                           yFract="0.79026202"
                           z3="7.73758"
                           zFract="0.34878172"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.82305"
                           xFract="0.79131119"
                           y3="1.27068"
                           yFract="0.28331015"
                           z3="7.73866"
                           zFract="0.3488355"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.10163"
                           xFract="0.78778711"
                           y3="3.52807"
                           yFract="0.78661663"
                           z3="7.76527"
                           zFract="0.34263071"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.8955"
                           xFract="0.76546625"
                           y3="3.37023"
                           yFract="0.75142471"
                           z3="10.56863"
                           zFract="0.47566638"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.52305"
                           xFract="0.45113363"
                           y3="2.07068"
                           yFract="0.46167773"
                           z3="8.73866"
                           zFract="0.39840017"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.42305"
                           xFract="0.96078008"
                           y3="4.27068"
                           yFract="0.95218857"
                           z3="8.73866"
                           zFract="0.38347243"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.3">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05659"
                           xFract="0.13692031"
                           y3="0.60641"
                           yFract="0.13520486"
                           z3="5.42416"
                           zFract="0.25168535"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.3550"
                           xFract="0.13914243"
                           y3="2.84658"
                           yFract="0.63467198"
                           z3="5.50417"
                           zFract="0.24796988"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.64568"
                           xFract="0.63608616"
                           y3="0.61884"
                           yFract="0.13797624"
                           z3="5.50509"
                           zFract="0.24800955"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92591"
                           xFract="0.63615962"
                           y3="2.84671"
                           yFract="0.63470097"
                           z3="5.66325"
                           zFract="0.24805183"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20777"
                           xFract="0.2852351"
                           y3="1.27488"
                           yFract="0.28424658"
                           z3="7.58195"
                           zFract="0.3489861"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.51381"
                           xFract="0.28639566"
                           y3="3.53789"
                           yFract="0.7888061"
                           z3="7.73905"
                           zFract="0.34884523"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.81994"
                           xFract="0.78990474"
                           y3="1.27793"
                           yFract="0.2849266"
                           z3="7.74113"
                           zFract="0.34894883"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09992"
                           xFract="0.78755981"
                           y3="3.52714"
                           yFract="0.78640928"
                           z3="7.77314"
                           zFract="0.34300826"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.8923"
                           xFract="0.76504529"
                           y3="3.36845"
                           yFract="0.75102784"
                           z3="10.56541"
                           zFract="0.47552677"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.52221"
                           xFract="0.45113672"
                           y3="2.06919"
                           yFract="0.46134552"
                           z3="8.73047"
                           zFract="0.39801893"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.42147"
                           xFract="0.9603991"
                           y3="4.27136"
                           yFract="0.95234018"
                           z3="8.74146"
                           zFract="0.38360788"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05914"
                           xFract="0.13723116"
                           y3="0.60805"
                           yFract="0.13557051"
                           z3="5.41653"
                           zFract="0.2513155"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35299"
                           xFract="0.13890711"
                           y3="2.8452"
                           yFract="0.6343643"
                           z3="5.49816"
                           zFract="0.24769461"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.64332"
                           xFract="0.63574318"
                           y3="0.61782"
                           yFract="0.13774882"
                           z3="5.49946"
                           zFract="0.24775262"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.92932"
                           xFract="0.63659564"
                           y3="2.84872"
                           yFract="0.63514912"
                           z3="5.66277"
                           zFract="0.248016"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22016"
                           xFract="0.2867997"
                           y3="1.28236"
                           yFract="0.28591431"
                           z3="7.5936"
                           zFract="0.34948715"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.53118"
                           xFract="0.29192949"
                           y3="3.5183"
                           yFract="0.78443832"
                           z3="7.74347"
                           zFract="0.34903623"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.81063"
                           xFract="0.78568813"
                           y3="1.29969"
                           yFract="0.2897782"
                           z3="7.74853"
                           zFract="0.34928826"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09479"
                           xFract="0.78687789"
                           y3="3.52435"
                           yFract="0.78578723"
                           z3="7.79674"
                           zFract="0.34414045"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.8827"
                           xFract="0.76378129"
                           y3="3.36312"
                           yFract="0.74983947"
                           z3="10.55573"
                           zFract="0.47510696"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.51969"
                           xFract="0.45114931"
                           y3="2.06469"
                           yFract="0.4603422"
                           z3="8.7059"
                           zFract="0.39687525"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.41675"
                           xFract="0.95926224"
                           y3="4.27338"
                           yFract="0.95279056"
                           z3="8.74984"
                           zFract="0.38401324"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.5">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06425"
                           xFract="0.13785701"
                           y3="0.61131"
                           yFract="0.13629736"
                           z3="5.40126"
                           zFract="0.25057534"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.34898"
                           xFract="0.1384395"
                           y3="2.84243"
                           yFract="0.6337467"
                           z3="5.48615"
                           zFract="0.24714454"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.63861"
                           xFract="0.63505917"
                           y3="0.61578"
                           yFract="0.13729399"
                           z3="5.48821"
                           zFract="0.24723918"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93616"
                           xFract="0.63746932"
                           y3="2.85276"
                           yFract="0.63604987"
                           z3="5.6618"
                           zFract="0.24794378"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24493"
                           xFract="0.28992919"
                           y3="1.2973"
                           yFract="0.28924533"
                           z3="7.61691"
                           zFract="0.35048978"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.56591"
                           xFract="0.30299412"
                           y3="3.47913"
                           yFract="0.775705"
                           z3="7.75229"
                           zFract="0.34941729"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.7920"
                           xFract="0.77725298"
                           y3="1.34321"
                           yFract="0.2994814"
                           z3="7.76332"
                           zFract="0.34996668"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08453"
                           xFract="0.78551406"
                           y3="3.51877"
                           yFract="0.78454311"
                           z3="7.84393"
                           zFract="0.34640437"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.8635"
                           xFract="0.76125552"
                           y3="3.35244"
                           yFract="0.74745826"
                           z3="10.53639"
                           zFract="0.47426833"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.51465"
                           xFract="0.45117227"
                           y3="2.05571"
                           yFract="0.45834002"
                           z3="8.65677"
                           zFract="0.39458833"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.40731"
                           xFract="0.95698741"
                           y3="4.27743"
                           yFract="0.95369355"
                           z3="8.7666"
                           zFract="0.38482394"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.6">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06335"
                           xFract="0.13774632"
                           y3="0.61074"
                           yFract="0.13617027"
                           z3="5.40395"
                           zFract="0.25070572"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.34968"
                           xFract="0.13852041"
                           y3="2.84292"
                           yFract="0.63385595"
                           z3="5.48826"
                           zFract="0.24724119"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.63944"
                           xFract="0.63517965"
                           y3="0.61614"
                           yFract="0.13737425"
                           z3="5.49019"
                           zFract="0.24732954"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93496"
                           xFract="0.63731729"
                           y3="2.85204"
                           yFract="0.63588934"
                           z3="5.66197"
                           zFract="0.24795646"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24056"
                           xFract="0.28937644"
                           y3="1.29467"
                           yFract="0.28865894"
                           z3="7.6128"
                           zFract="0.350313"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.55979"
                           xFract="0.30104462"
                           y3="3.48603"
                           yFract="0.77724342"
                           z3="7.75074"
                           zFract="0.34935035"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.79528"
                           xFract="0.77873895"
                           y3="1.33554"
                           yFract="0.2977713"
                           z3="7.76072"
                           zFract="0.34984743"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.08634"
                           xFract="0.78575404"
                           y3="3.51976"
                           yFract="0.78476384"
                           z3="7.83561"
                           zFract="0.34600521"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.86688"
                           xFract="0.76170017"
                           y3="3.35432"
                           yFract="0.74787743"
                           z3="10.5398"
                           zFract="0.47441622"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.51554"
                           xFract="0.45116774"
                           y3="2.0573"
                           yFract="0.45869453"
                           z3="8.66543"
                           zFract="0.39499142"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.40897"
                           xFract="0.95738719"
                           y3="4.27672"
                           yFract="0.95353525"
                           z3="8.76365"
                           zFract="0.38468124"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.7">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06358"
                           xFract="0.1377508"
                           y3="0.6111"
                           yFract="0.13625054"
                           z3="5.40434"
                           zFract="0.25072284"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.34741"
                           xFract="0.13801492"
                           y3="2.84352"
                           yFract="0.63398973"
                           z3="5.48816"
                           zFract="0.24724202"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.63876"
                           xFract="0.63529363"
                           y3="0.61393"
                           yFract="0.13688151"
                           z3="5.49036"
                           zFract="0.24734321"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.93877"
                           xFract="0.63782953"
                           y3="2.85406"
                           yFract="0.63633972"
                           z3="5.66221"
                           zFract="0.24795341"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24201"
                           xFract="0.28953126"
                           y3="1.2958"
                           yFract="0.28891089"
                           z3="7.61734"
                           zFract="0.35052099"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.56117"
                           xFract="0.30052176"
                           y3="3.49314"
                           yFract="0.77882866"
                           z3="7.7520"
                           zFract="0.3493939"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.80112"
                           xFract="0.78000904"
                           y3="1.33427"
                           yFract="0.29748814"
                           z3="7.76349"
                           zFract="0.34996331"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.09047"
                           xFract="0.78631037"
                           y3="3.52194"
                           yFract="0.78524989"
                           z3="7.85244"
                           zFract="0.34678318"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.85481"
                           xFract="0.7601308"
                           y3="3.34744"
                           yFract="0.74634346"
                           z3="10.53412"
                           zFract="0.47419472"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.50963"
                           xFract="0.4507815"
                           y3="2.05049"
                           yFract="0.45717617"
                           z3="8.65188"
                           zFract="0.39438097"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.41275"
                           xFract="0.95768706"
                           y3="4.2806"
                           yFract="0.95440033"
                           z3="8.76287"
                           zFract="0.38462708"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.8">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06429"
                           xFract="0.13776923"
                           y3="0.61217"
                           yFract="0.1364891"
                           z3="5.40548"
                           zFract="0.25077275"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.34057"
                           xFract="0.13649485"
                           y3="2.8453"
                           yFract="0.63438659"
                           z3="5.48786"
                           zFract="0.24724464"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.63672"
                           xFract="0.63563447"
                           y3="0.60731"
                           yFract="0.13540552"
                           z3="5.49084"
                           zFract="0.24738278"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.95019"
                           xFract="0.63936653"
                           y3="2.8601"
                           yFract="0.63768639"
                           z3="5.66291"
                           zFract="0.24794337"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24635"
                           xFract="0.28999381"
                           y3="1.29919"
                           yFract="0.28966672"
                           z3="7.63098"
                           zFract="0.35114592"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.56534"
                           xFract="0.2989612"
                           y3="3.51445"
                           yFract="0.78357993"
                           z3="7.75579"
                           zFract="0.34952497"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.81862"
                           xFract="0.78381323"
                           y3="1.33048"
                           yFract="0.29664312"
                           z3="7.77183"
                           zFract="0.35031237"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.10284"
                           xFract="0.78797328"
                           y3="3.5285"
                           yFract="0.78671251"
                           z3="7.9029"
                           zFract="0.3491157"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.81859"
                           xFract="0.75542408"
                           y3="3.32677"
                           yFract="0.74173489"
                           z3="10.51707"
                           zFract="0.47352986"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.49188"
                           xFract="0.4496178"
                           y3="2.03007"
                           yFract="0.45262334"
                           z3="8.61123"
                           zFract="0.39254966"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.42408"
                           xFract="0.95858249"
                           y3="4.29226"
                           yFract="0.95700004"
                           z3="8.76054"
                           zFract="0.38446505"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.9">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0657"
                           xFract="0.13780304"
                           y3="0.61432"
                           yFract="0.13696846"
                           z3="5.40777"
                           zFract="0.25087307"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.32691"
                           xFract="0.13345638"
                           y3="2.84888"
                           yFract="0.63518479"
                           z3="5.48726"
                           zFract="0.24724979"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.63265"
                           xFract="0.63632031"
                           y3="0.59405"
                           yFract="0.13244908"
                           z3="5.49181"
                           zFract="0.24746241"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97305"
                           xFract="0.6424444"
                           y3="2.87218"
                           yFract="0.64037974"
                           z3="5.66431"
                           zFract="0.24792324"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25503"
                           xFract="0.2909189"
                           y3="1.30597"
                           yFract="0.29117839"
                           z3="7.65826"
                           zFract="0.35239579"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.57367"
                           xFract="0.29583816"
                           y3="3.55707"
                           yFract="0.79308246"
                           z3="7.76336"
                           zFract="0.34978668"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85363"
                           xFract="0.79142353"
                           y3="1.3229"
                           yFract="0.29495309"
                           z3="7.78849"
                           zFract="0.35100952"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.12758"
                           xFract="0.79130022"
                           y3="3.54161"
                           yFract="0.78963551"
                           z3="8.00383"
                           zFract="0.35378122"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.74616"
                           xFract="0.74601034"
                           y3="3.28545"
                           yFract="0.73252221"
                           z3="10.48298"
                           zFract="0.47220054"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.45638"
                           xFract="0.4472904"
                           y3="1.98923"
                           yFract="0.44351768"
                           z3="8.52993"
                           zFract="0.38888705"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.44673"
                           xFract="0.96037253"
                           y3="4.31557"
                           yFract="0.96219722"
                           z3="8.75589"
                           zFract="0.38414152"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.10">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06515"
                           xFract="0.13779"
                           y3="0.61348"
                           yFract="0.13678118"
                           z3="5.40688"
                           zFract="0.25083409"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.33226"
                           xFract="0.13464617"
                           y3="2.84748"
                           yFract="0.63487265"
                           z3="5.48749"
                           zFract="0.24724754"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.63424"
                           xFract="0.63605129"
                           y3="0.59924"
                           yFract="0.13360624"
                           z3="5.49143"
                           zFract="0.24743124"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96411"
                           xFract="0.64124025"
                           y3="2.86746"
                           yFract="0.63932738"
                           z3="5.66376"
                           zFract="0.24793099"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25163"
                           xFract="0.2905559"
                           y3="1.30332"
                           yFract="0.29058754"
                           z3="7.64759"
                           zFract="0.35190694"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.57041"
                           xFract="0.29705932"
                           y3="3.5404"
                           yFract="0.78936572"
                           z3="7.7604"
                           zFract="0.34968436"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83994"
                           xFract="0.78844811"
                           y3="1.32586"
                           yFract="0.29561305"
                           z3="7.78197"
                           zFract="0.35073666"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.1179"
                           xFract="0.78999854"
                           y3="3.53648"
                           yFract="0.78849172"
                           z3="7.96435"
                           zFract="0.35195626"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.77449"
                           xFract="0.74969148"
                           y3="3.30162"
                           yFract="0.73612746"
                           z3="10.49632"
                           zFract="0.47272076"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.47026"
                           xFract="0.44820014"
                           y3="2.0052"
                           yFract="0.44707834"
                           z3="8.56173"
                           zFract="0.39031968"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.43787"
                           xFract="0.95967252"
                           y3="4.30645"
                           yFract="0.96016383"
                           z3="8.75771"
                           zFract="0.38426813"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.11">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06476"
                           xFract="0.13765241"
                           y3="0.61404"
                           yFract="0.13690604"
                           z3="5.4087"
                           zFract="0.2509201"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.33281"
                           xFract="0.13455704"
                           y3="2.84924"
                           yFract="0.63526505"
                           z3="5.49742"
                           zFract="0.24771121"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.63563"
                           xFract="0.63636444"
                           y3="0.59884"
                           yFract="0.13351705"
                           z3="5.50173"
                           zFract="0.24791353"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96593"
                           xFract="0.64145772"
                           y3="2.86867"
                           yFract="0.63959716"
                           z3="5.6746"
                           zFract="0.24843482"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24557"
                           xFract="0.28971418"
                           y3="1.30035"
                           yFract="0.28992535"
                           z3="7.64215"
                           zFract="0.3516729"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.58176"
                           xFract="0.29799083"
                           y3="3.55177"
                           yFract="0.79190077"
                           z3="7.75729"
                           zFract="0.34948599"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.8577"
                           xFract="0.79088652"
                           y3="1.33482"
                           yFract="0.29761077"
                           z3="7.77745"
                           zFract="0.35045733"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.12239"
                           xFract="0.79051563"
                           y3="3.53964"
                           yFract="0.78919628"
                           z3="7.97269"
                           zFract="0.35233125"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.73357"
                           xFract="0.74453924"
                           y3="3.27678"
                           yFract="0.73058915"
                           z3="10.5019"
                           zFract="0.47314341"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.46077"
                           xFract="0.44732614"
                           y3="1.99655"
                           yFract="0.44514974"
                           z3="8.54199"
                           zFract="0.38943078"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.45579"
                           xFract="0.9620519"
                           y3="4.31622"
                           yFract="0.96234214"
                           z3="8.76272"
                           zFract="0.38443632"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.12">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06358"
                           xFract="0.13723991"
                           y3="0.6157"
                           yFract="0.13727615"
                           z3="5.41419"
                           zFract="0.25117958"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.33449"
                           xFract="0.13429209"
                           y3="2.85455"
                           yFract="0.63644897"
                           z3="5.5272"
                           zFract="0.2491016"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.63979"
                           xFract="0.63729975"
                           y3="0.59766"
                           yFract="0.13325396"
                           z3="5.53264"
                           zFract="0.24936089"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9714"
                           xFract="0.64210986"
                           y3="2.87232"
                           yFract="0.64041096"
                           z3="5.70713"
                           zFract="0.24994672"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22738"
                           xFract="0.28718376"
                           y3="1.29147"
                           yFract="0.28794547"
                           z3="7.62584"
                           zFract="0.3509712"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.61581"
                           xFract="0.30078313"
                           y3="3.5859"
                           yFract="0.79951038"
                           z3="7.74795"
                           zFract="0.34889036"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.9110"
                           xFract="0.79820893"
                           y3="1.36167"
                           yFract="0.30359723"
                           z3="7.7639"
                           zFract="0.34961982"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.13585"
                           xFract="0.7920683"
                           y3="3.54909"
                           yFract="0.79130324"
                           z3="7.99772"
                           zFract="0.35345678"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.61082"
                           xFract="0.72908335"
                           y3="3.20227"
                           yFract="0.71397644"
                           z3="10.51866"
                           zFract="0.47441228"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.4323"
                           xFract="0.44470412"
                           y3="1.9706"
                           yFract="0.43936394"
                           z3="8.48277"
                           zFract="0.38676407"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.50955"
                           xFract="0.96918671"
                           y3="4.34556"
                           yFract="0.96888378"
                           z3="8.77774"
                           zFract="0.38494038"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.13">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06608"
                           xFract="0.1374789"
                           y3="0.6179"
                           yFract="0.13776666"
                           z3="5.39863"
                           zFract="0.25043505"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.34202"
                           xFract="0.13557016"
                           y3="2.85615"
                           yFract="0.6368057"
                           z3="5.53772"
                           zFract="0.24957322"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.64395"
                           xFract="0.63744095"
                           y3="0.60363"
                           yFract="0.13458503"
                           z3="5.54331"
                           zFract="0.24984201"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97072"
                           xFract="0.64180958"
                           y3="2.87384"
                           yFract="0.64074986"
                           z3="5.71152"
                           zFract="0.25015313"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.23039"
                           xFract="0.28759353"
                           y3="1.29302"
                           yFract="0.28829106"
                           z3="7.6052"
                           zFract="0.34998676"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.62363"
                           xFract="0.30418635"
                           y3="3.56887"
                           yFract="0.79571338"
                           z3="7.75552"
                           zFract="0.34925316"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.90453"
                           xFract="0.79539101"
                           y3="1.37578"
                           yFract="0.30674319"
                           z3="7.76846"
                           zFract="0.34982992"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15599"
                           xFract="0.79426714"
                           y3="3.56435"
                           yFract="0.7947056"
                           z3="8.00812"
                           zFract="0.35386354"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.54209"
                           xFract="0.72048155"
                           y3="3.16008"
                           yFract="0.70456978"
                           z3="10.51512"
                           zFract="0.47451415"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.4366"
                           xFract="0.44526556"
                           y3="1.97303"
                           yFract="0.43990573"
                           z3="8.46226"
                           zFract="0.38578056"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.53358"
                           xFract="0.97222311"
                           y3="4.36005"
                           yFract="0.97211446"
                           z3="8.79296"
                           zFract="0.38556446"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.14">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.07152"
                           xFract="0.13799862"
                           y3="0.62269"
                           yFract="0.13883464"
                           z3="5.36479"
                           zFract="0.24881581"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35839"
                           xFract="0.13834846"
                           y3="2.85963"
                           yFract="0.6375816"
                           z3="5.5606"
                           zFract="0.25059895"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65302"
                           xFract="0.63775064"
                           y3="0.61663"
                           yFract="0.1374835"
                           z3="5.56653"
                           zFract="0.25088894"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96926"
                           xFract="0.6411597"
                           y3="2.87715"
                           yFract="0.64148785"
                           z3="5.72108"
                           zFract="0.25060256"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.23694"
                           xFract="0.28848334"
                           y3="1.29641"
                           yFract="0.28904689"
                           z3="7.56031"
                           zFract="0.34784565"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.64066"
                           xFract="0.31159249"
                           y3="3.53183"
                           yFract="0.78745496"
                           z3="7.77199"
                           zFract="0.35004243"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.89044"
                           xFract="0.78925739"
                           y3="1.40648"
                           yFract="0.31358804"
                           z3="7.77839"
                           zFract="0.3502875"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.19981"
                           xFract="0.79905266"
                           y3="3.59754"
                           yFract="0.80210563"
                           z3="8.03075"
                           zFract="0.35474866"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.39257"
                           xFract="0.70176939"
                           y3="3.06829"
                           yFract="0.68410433"
                           z3="10.50743"
                           zFract="0.47473631"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.44597"
                           xFract="0.44648953"
                           y3="1.97832"
                           yFract="0.44108519"
                           z3="8.41764"
                           zFract="0.38364088"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.58587"
                           xFract="0.9788305"
                           y3="4.39158"
                           yFract="0.97914437"
                           z3="8.82607"
                           zFract="0.38692204"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.15">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.07022"
                           xFract="0.13787502"
                           y3="0.62154"
                           yFract="0.13857823"
                           z3="5.37292"
                           zFract="0.2492048"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35446"
                           xFract="0.13768197"
                           y3="2.85879"
                           yFract="0.63739432"
                           z3="5.5551"
                           zFract="0.25035237"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65084"
                           xFract="0.6376757"
                           y3="0.61351"
                           yFract="0.13678787"
                           z3="5.56095"
                           zFract="0.25063734"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96961"
                           xFract="0.64131622"
                           y3="2.87635"
                           yFract="0.64130949"
                           z3="5.71878"
                           zFract="0.25049444"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.23537"
                           xFract="0.28826977"
                           y3="1.2956"
                           yFract="0.2888663"
                           z3="7.5711"
                           zFract="0.34836028"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.63657"
                           xFract="0.30981332"
                           y3="3.54073"
                           yFract="0.7894393"
                           z3="7.76804"
                           zFract="0.34985313"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.89383"
                           xFract="0.79073241"
                           y3="1.3991"
                           yFract="0.3119426"
                           z3="7.77601"
                           zFract="0.35017783"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.18928"
                           xFract="0.79790208"
                           y3="3.58957"
                           yFract="0.80032864"
                           z3="8.02531"
                           zFract="0.35453586"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.42849"
                           xFract="0.70626485"
                           y3="3.09034"
                           yFract="0.68902058"
                           z3="10.50928"
                           zFract="0.47468307"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.44372"
                           xFract="0.44619559"
                           y3="1.97705"
                           yFract="0.44080203"
                           z3="8.42836"
                           zFract="0.38415493"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.57331"
                           xFract="0.97724303"
                           y3="4.38401"
                           yFract="0.97745657"
                           z3="8.81811"
                           zFract="0.38659562"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.16">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.07212"
                           xFract="0.13815682"
                           y3="0.62231"
                           yFract="0.13874991"
                           z3="5.35984"
                           zFract="0.24858132"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35969"
                           xFract="0.13786788"
                           y3="2.86622"
                           yFract="0.63905091"
                           z3="5.54752"
                           zFract="0.24996748"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65986"
                           xFract="0.63906857"
                           y3="0.61667"
                           yFract="0.13749242"
                           z3="5.55244"
                           zFract="0.25020479"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.98015"
                           xFract="0.64245874"
                           y3="2.88441"
                           yFract="0.64310654"
                           z3="5.70808"
                           zFract="0.24994607"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22892"
                           xFract="0.28739708"
                           y3="1.29223"
                           yFract="0.28811492"
                           z3="7.53821"
                           zFract="0.34683377"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.6341"
                           xFract="0.30836178"
                           y3="3.5495"
                           yFract="0.79139466"
                           z3="7.78644"
                           zFract="0.35071316"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.90308"
                           xFract="0.79390677"
                           y3="1.38662"
                           yFract="0.30916007"
                           z3="7.79199"
                           zFract="0.35092543"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.21654"
                           xFract="0.80113423"
                           y3="3.60792"
                           yFract="0.80441995"
                           z3="8.04988"
                           zFract="0.35558502"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.34512"
                           xFract="0.69581562"
                           y3="3.0393"
                           yFract="0.67764073"
                           z3="10.46911"
                           zFract="0.47311487"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.44348"
                           xFract="0.44568939"
                           y3="1.98119"
                           yFract="0.44172508"
                           z3="8.43174"
                           zFract="0.38430808"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.59745"
                           xFract="0.98027071"
                           y3="4.39877"
                           yFract="0.98074745"
                           z3="8.84092"
                           zFract="0.38757679"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.17">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0731"
                           xFract="0.13830075"
                           y3="0.62272"
                           yFract="0.13884132"
                           z3="5.35304"
                           zFract="0.24825719"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36241"
                           xFract="0.13796504"
                           y3="2.87008"
                           yFract="0.63991153"
                           z3="5.54358"
                           zFract="0.24976741"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66454"
                           xFract="0.63979121"
                           y3="0.61831"
                           yFract="0.13785807"
                           z3="5.54802"
                           zFract="0.24998015"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.98562"
                           xFract="0.64305201"
                           y3="2.88859"
                           yFract="0.64403851"
                           z3="5.70252"
                           zFract="0.24966115"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22558"
                           xFract="0.28694572"
                           y3="1.29048"
                           yFract="0.28772474"
                           z3="7.52113"
                           zFract="0.34604102"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.63281"
                           xFract="0.30760594"
                           y3="3.55406"
                           yFract="0.79241135"
                           z3="7.79599"
                           zFract="0.35115955"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.90789"
                           xFract="0.79555636"
                           y3="1.38014"
                           yFract="0.30771529"
                           z3="7.80029"
                           zFract="0.35131372"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.23069"
                           xFract="0.80281142"
                           y3="3.61745"
                           yFract="0.80654475"
                           z3="8.06265"
                           zFract="0.35613037"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.30182"
                           xFract="0.69038874"
                           y3="3.01279"
                           yFract="0.67173008"
                           z3="10.44825"
                           zFract="0.47230055"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.44335"
                           xFract="0.44542437"
                           y3="1.98335"
                           yFract="0.44220667"
                           z3="8.43349"
                           zFract="0.38438736"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.60998"
                           xFract="0.98184128"
                           y3="4.40644"
                           yFract="0.98245755"
                           z3="8.85276"
                           zFract="0.38808608"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a15" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.18">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.07318"
                           xFract="0.13840729"
                           y3="0.6219"
                           yFract="0.1386585"
                           z3="5.35595"
                           zFract="0.24839553"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36559"
                           xFract="0.13751807"
                           y3="2.87964"
                           yFract="0.64204302"
                           z3="5.52668"
                           zFract="0.24894544"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67518"
                           xFract="0.64168608"
                           y3="0.61977"
                           yFract="0.13818359"
                           z3="5.52965"
                           zFract="0.24908087"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.99594"
                           xFract="0.64444965"
                           y3="2.89397"
                           yFract="0.64523803"
                           z3="5.70595"
                           zFract="0.24978411"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24266"
                           xFract="0.28913827"
                           y3="1.30047"
                           yFract="0.28995211"
                           z3="7.50331"
                           zFract="0.34513484"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.64965"
                           xFract="0.31027853"
                           y3="3.55931"
                           yFract="0.79358189"
                           z3="7.80265"
                           zFract="0.3514162"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.91517"
                           xFract="0.79572101"
                           y3="1.39133"
                           yFract="0.31021021"
                           z3="7.80638"
                           zFract="0.35156116"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.2300"
                           xFract="0.802969"
                           y3="3.61483"
                           yFract="0.8059606"
                           z3="8.07327"
                           zFract="0.35663747"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.24546"
                           xFract="0.683371"
                           y3="2.97787"
                           yFract="0.66394433"
                           z3="10.3967"
                           zFract="0.47009094"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.42073"
                           xFract="0.44213967"
                           y3="1.97355"
                           yFract="0.44002167"
                           z3="8.43966"
                           zFract="0.38475991"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.61424"
                           xFract="0.98271928"
                           y3="4.40595"
                           yFract="0.9823483"
                           z3="8.89237"
                           zFract="0.3899422"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0732"
                           xFract="0.13843892"
                           y3="0.62165"
                           yFract="0.13860276"
                           z3="5.35683"
                           zFract="0.24843738"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36656"
                           xFract="0.13738352"
                           y3="2.88254"
                           yFract="0.6426896"
                           z3="5.52155"
                           zFract="0.24869592"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6784"
                           xFract="0.64225973"
                           y3="0.62021"
                           yFract="0.1382817"
                           z3="5.52408"
                           zFract="0.24880822"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.99907"
                           xFract="0.64487374"
                           y3="2.8956"
                           yFract="0.64560146"
                           z3="5.70699"
                           zFract="0.24982139"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24784"
                           xFract="0.28980208"
                           y3="1.30351"
                           yFract="0.29062991"
                           z3="7.4979"
                           zFract="0.34485974"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.65475"
                           xFract="0.3110868"
                           y3="3.56091"
                           yFract="0.79393862"
                           z3="7.80467"
                           zFract="0.35149406"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.91738"
                           xFract="0.79577066"
                           y3="1.39473"
                           yFract="0.31096827"
                           z3="7.80822"
                           zFract="0.35163586"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.22979"
                           xFract="0.80301725"
                           y3="3.61403"
                           yFract="0.80578223"
                           z3="8.0765"
                           zFract="0.3567917"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.22836"
                           xFract="0.68124122"
                           y3="2.96728"
                           yFract="0.66158319"
                           z3="10.38106"
                           zFract="0.46942055"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.41386"
                           xFract="0.44114247"
                           y3="1.97057"
                           yFract="0.43935725"
                           z3="8.44153"
                           zFract="0.38487288"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.61554"
                           xFract="0.98298727"
                           y3="4.4058"
                           yFract="0.98231485"
                           z3="8.90439"
                           zFract="0.39050544"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.20">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.07642"
                           xFract="0.13888707"
                           y3="0.62322"
                           yFract="0.1389528"
                           z3="5.36867"
                           zFract="0.24898372"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.3712"
                           xFract="0.13827723"
                           y3="2.88257"
                           yFract="0.64269629"
                           z3="5.51905"
                           zFract="0.24856461"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.68076"
                           xFract="0.64217511"
                           y3="0.62508"
                           yFract="0.13936751"
                           z3="5.52138"
                           zFract="0.24866598"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.99933"
                           xFract="0.64502841"
                           y3="2.89466"
                           yFract="0.64539187"
                           z3="5.71878"
                           zFract="0.25037811"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26322"
                           xFract="0.29178036"
                           y3="1.31247"
                           yFract="0.29262762"
                           z3="7.48707"
                           zFract="0.34428977"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.64874"
                           xFract="0.30909859"
                           y3="3.56835"
                           yFract="0.79559744"
                           z3="7.80734"
                           zFract="0.35162486"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.91564"
                           xFract="0.79636719"
                           y3="1.38633"
                           yFract="0.30909541"
                           z3="7.81382"
                           zFract="0.35191895"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.23757"
                           xFract="0.80431589"
                           y3="3.61588"
                           yFract="0.80619471"
                           z3="8.05794"
                           zFract="0.35589107"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.21287"
                           xFract="0.67923501"
                           y3="2.95838"
                           yFract="0.65959885"
                           z3="10.37155"
                           zFract="0.46903171"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.39596"
                           xFract="0.43874141"
                           y3="1.96103"
                           yFract="0.43723022"
                           z3="8.44169"
                           zFract="0.38494801"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.60876"
                           xFract="0.98232066"
                           y3="4.4000"
                           yFract="0.98102169"
                           z3="8.91424"
                           zFract="0.39099911"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.21">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.07759"
                           xFract="0.13904885"
                           y3="0.6238"
                           yFract="0.13908212"
                           z3="5.37299"
                           zFract="0.24918306"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.37289"
                           xFract="0.13860285"
                           y3="2.88258"
                           yFract="0.64269852"
                           z3="5.51813"
                           zFract="0.24851634"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.68162"
                           xFract="0.64214368"
                           y3="0.62686"
                           yFract="0.13976438"
                           z3="5.5204"
                           zFract="0.24861431"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.99942"
                           xFract="0.64508468"
                           y3="2.89431"
                           yFract="0.64531384"
                           z3="5.72308"
                           zFract="0.25058117"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26883"
                           xFract="0.29250066"
                           y3="1.31575"
                           yFract="0.29335893"
                           z3="7.48312"
                           zFract="0.34408186"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.64655"
                           xFract="0.30837311"
                           y3="3.57107"
                           yFract="0.79620389"
                           z3="7.80832"
                           zFract="0.35167285"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.9150"
                           xFract="0.79658331"
                           y3="1.38327"
                           yFract="0.30841315"
                           z3="7.81586"
                           zFract="0.35202209"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.24041"
                           xFract="0.80478942"
                           y3="3.61656"
                           yFract="0.80634632"
                           z3="8.05117"
                           zFract="0.35556254"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.20722"
                           xFract="0.67850365"
                           y3="2.95513"
                           yFract="0.65887423"
                           z3="10.36808"
                           zFract="0.46888984"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.38943"
                           xFract="0.43786547"
                           y3="1.95755"
                           yFract="0.43645432"
                           z3="8.44175"
                           zFract="0.38497549"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.60628"
                           xFract="0.98207554"
                           y3="4.39789"
                           yFract="0.98055125"
                           z3="8.91784"
                           zFract="0.39117953"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.22">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.08022"
                           xFract="0.13936295"
                           y3="0.62555"
                           yFract="0.1394723"
                           z3="5.37893"
                           zFract="0.24945262"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.37745"
                           xFract="0.13920122"
                           y3="2.88513"
                           yFract="0.64326707"
                           z3="5.5148"
                           zFract="0.24834192"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.68549"
                           xFract="0.64270417"
                           y3="0.62855"
                           yFract="0.14014118"
                           z3="5.51745"
                           zFract="0.24846123"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.99993"
                           xFract="0.64524325"
                           y3="2.89377"
                           yFract="0.64519344"
                           z3="5.73264"
                           zFract="0.25103136"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26419"
                           xFract="0.29187016"
                           y3="1.31335"
                           yFract="0.29282383"
                           z3="7.46882"
                           zFract="0.34342502"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.64532"
                           xFract="0.30812866"
                           y3="3.57113"
                           yFract="0.79621727"
                           z3="7.81605"
                           zFract="0.35204076"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.91224"
                           xFract="0.79622186"
                           y3="1.38172"
                           yFract="0.30806757"
                           z3="7.82715"
                           zFract="0.35256496"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.23778"
                           xFract="0.80469634"
                           y3="3.61282"
                           yFract="0.80551245"
                           z3="8.0309"
                           zFract="0.35462065"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.2027"
                           xFract="0.67778974"
                           y3="2.95369"
                           yFract="0.65855317"
                           z3="10.3592"
                           zFract="0.4684866"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.3870"
                           xFract="0.43741567"
                           y3="1.95737"
                           yFract="0.43641419"
                           z3="8.44875"
                           zFract="0.38531285"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.59351"
                           xFract="0.98050966"
                           y3="4.38976"
                           yFract="0.97873858"
                           z3="8.9224"
                           zFract="0.39144496"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.23">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.08191"
                           xFract="0.13956528"
                           y3="0.62667"
                           yFract="0.13972201"
                           z3="5.38274"
                           zFract="0.24962551"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.38038"
                           xFract="0.13958553"
                           y3="2.88677"
                           yFract="0.64363272"
                           z3="5.51266"
                           zFract="0.24822982"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.68798"
                           xFract="0.6430645"
                           y3="0.62964"
                           yFract="0.1403842"
                           z3="5.51556"
                           zFract="0.24836312"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="5.00026"
                           xFract="0.64534592"
                           y3="2.89342"
                           yFract="0.6451154"
                           z3="5.73877"
                           zFract="0.25132001"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26122"
                           xFract="0.29146701"
                           y3="1.31181"
                           yFract="0.29248047"
                           z3="7.45963"
                           zFract="0.34300285"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.64454"
                           xFract="0.30797342"
                           y3="3.57117"
                           yFract="0.79622619"
                           z3="7.82102"
                           zFract="0.35227728"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.91046"
                           xFract="0.79598769"
                           y3="1.38073"
                           yFract="0.30784684"
                           z3="7.83441"
                           zFract="0.35291406"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.23609"
                           xFract="0.80463616"
                           y3="3.61042"
                           yFract="0.80497735"
                           z3="8.01787"
                           zFract="0.35401517"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.1998"
                           xFract="0.67733126"
                           y3="2.95277"
                           yFract="0.65834805"
                           z3="10.35349"
                           zFract="0.46822728"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.38544"
                           xFract="0.43712741"
                           y3="1.95725"
                           yFract="0.43638743"
                           z3="8.45325"
                           zFract="0.38552972"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.58531"
                           xFract="0.97950411"
                           y3="4.38454"
                           yFract="0.97757474"
                           z3="8.92532"
                           zFract="0.39161501"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.24">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.08105"
                           xFract="0.13939569"
                           y3="0.6267"
                           yFract="0.1397287"
                           z3="5.37959"
                           zFract="0.24947942"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.38503"
                           xFract="0.14005581"
                           y3="2.89063"
                           yFract="0.64449335"
                           z3="5.50807"
                           zFract="0.24799354"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.69312"
                           xFract="0.64401157"
                           y3="0.63006"
                           yFract="0.14047785"
                           z3="5.51177"
                           zFract="0.24816889"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="5.00176"
                           xFract="0.64562925"
                           y3="2.89348"
                           yFract="0.64512878"
                           z3="5.74229"
                           zFract="0.25148155"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26351"
                           xFract="0.29180311"
                           y3="1.31277"
                           yFract="0.29269451"
                           z3="7.45897"
                           zFract="0.34296352"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.6394"
                           xFract="0.30750392"
                           y3="3.56645"
                           yFract="0.79517382"
                           z3="7.83301"
                           zFract="0.35286532"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.90416"
                           xFract="0.79508069"
                           y3="1.37793"
                           yFract="0.30722255"
                           z3="7.84899"
                           zFract="0.35362436"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.23184"
                           xFract="0.80422211"
                           y3="3.60675"
                           yFract="0.80415909"
                           z3="8.00164"
                           zFract="0.35326833"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.20002"
                           xFract="0.67712279"
                           y3="2.95503"
                           yFract="0.65885194"
                           z3="10.34461"
                           zFract="0.46780418"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.37862"
                           xFract="0.43603547"
                           y3="1.95521"
                           yFract="0.43593259"
                           z3="8.45304"
                           zFract="0.38554291"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.57013"
                           xFract="0.97762002"
                           y3="4.37508"
                           yFract="0.97546554"
                           z3="8.92461"
                           zFract="0.39164114"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.25">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.08045"
                           xFract="0.13927747"
                           y3="0.62672"
                           yFract="0.13973316"
                           z3="5.37736"
                           zFract="0.24937598"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.38832"
                           xFract="0.14038978"
                           y3="2.89335"
                           yFract="0.6450998"
                           z3="5.50483"
                           zFract="0.24782674"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.69675"
                           xFract="0.64468114"
                           y3="0.63035"
                           yFract="0.1405425"
                           z3="5.5091"
                           zFract="0.24803204"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="5.00282"
                           xFract="0.64582863"
                           y3="2.89353"
                           yFract="0.64513993"
                           z3="5.74477"
                           zFract="0.25159534"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26513"
                           xFract="0.29204189"
                           y3="1.31344"
                           yFract="0.29284389"
                           z3="7.45851"
                           zFract="0.34293604"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.63578"
                           xFract="0.30717502"
                           y3="3.56311"
                           yFract="0.79442913"
                           z3="7.84148"
                           zFract="0.3532807"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.89971"
                           xFract="0.79443917"
                           y3="1.37596"
                           yFract="0.30678332"
                           z3="7.8593"
                           zFract="0.3541266"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.22884"
                           xFract="0.80393089"
                           y3="3.60415"
                           yFract="0.80357939"
                           z3="7.99017"
                           zFract="0.35274052"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.20018"
                           xFract="0.67697602"
                           y3="2.95663"
                           yFract="0.65920867"
                           z3="10.33834"
                           zFract="0.46750542"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.37379"
                           xFract="0.43526162"
                           y3="1.95377"
                           yFract="0.43561153"
                           z3="8.45289"
                           zFract="0.38555218"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.55941"
                           xFract="0.97628832"
                           y3="4.36841"
                           yFract="0.9739784"
                           z3="8.9241"
                           zFract="0.39165917"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.26">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.08144"
                           xFract="0.13942555"
                           y3="0.62711"
                           yFract="0.13982012"
                           z3="5.37729"
                           zFract="0.24936917"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.39054"
                           xFract="0.14111773"
                           y3="2.89066"
                           yFract="0.64450004"
                           z3="5.50421"
                           zFract="0.24779559"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6958"
                           xFract="0.64426092"
                           y3="0.63248"
                           yFract="0.14101741"
                           z3="5.50908"
                           zFract="0.24803028"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="5.00345"
                           xFract="0.64595153"
                           y3="2.89352"
                           yFract="0.6451377"
                           z3="5.74345"
                           zFract="0.2515313"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.26025"
                           xFract="0.29154825"
                           y3="1.30939"
                           yFract="0.29194091"
                           z3="7.45785"
                           zFract="0.34292577"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.63152"
                           xFract="0.30607933"
                           y3="3.56556"
                           yFract="0.79497539"
                           z3="7.84699"
                           zFract="0.35354869"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.90091"
                           xFract="0.79527979"
                           y3="1.37048"
                           yFract="0.3055615"
                           z3="7.86561"
                           zFract="0.3544298"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.22533"
                           xFract="0.80338558"
                           y3="3.60295"
                           yFract="0.80331184"
                           z3="7.98344"
                           zFract="0.35243534"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.20214"
                           xFract="0.676994"
                           y3="2.95988"
                           yFract="0.65993329"
                           z3="10.33495"
                           zFract="0.4673345"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.36585"
                           xFract="0.43407754"
                           y3="1.95061"
                           yFract="0.43490698"
                           z3="8.45456"
                           zFract="0.38565911"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.54718"
                           xFract="0.9747802"
                           y3="4.3607"
                           yFract="0.97225938"
                           z3="8.92003"
                           zFract="0.39151543"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.27">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.08171"
                           xFract="0.13946664"
                           y3="0.62721"
                           yFract="0.13984241"
                           z3="5.37727"
                           zFract="0.24936728"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.39113"
                           xFract="0.14131287"
                           y3="2.88993"
                           yFract="0.64433728"
                           z3="5.50405"
                           zFract="0.24778757"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.69554"
                           xFract="0.64414735"
                           y3="0.63305"
                           yFract="0.1411445"
                           z3="5.50907"
                           zFract="0.24802961"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="5.00362"
                           xFract="0.6459844"
                           y3="2.89352"
                           yFract="0.6451377"
                           z3="5.7431"
                           zFract="0.25151431"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25895"
                           xFract="0.29141687"
                           y3="1.30831"
                           yFract="0.29170011"
                           z3="7.45768"
                           zFract="0.34292331"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.63038"
                           xFract="0.30578564"
                           y3="3.56622"
                           yFract="0.79512254"
                           z3="7.84847"
                           zFract="0.35362066"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.90123"
                           xFract="0.7955038"
                           y3="1.36902"
                           yFract="0.30523598"
                           z3="7.8673"
                           zFract="0.354511"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.22439"
                           xFract="0.80323939"
                           y3="3.60263"
                           yFract="0.80324049"
                           z3="7.98164"
                           zFract="0.35235372"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.20266"
                           xFract="0.6769979"
                           y3="2.96075"
                           yFract="0.66012727"
                           z3="10.33405"
                           zFract="0.46728911"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.36373"
                           xFract="0.43376209"
                           y3="1.94976"
                           yFract="0.43471747"
                           z3="8.45501"
                           zFract="0.38568786"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.54391"
                           xFract="0.97437569"
                           y3="4.35865"
                           yFract="0.97180232"
                           z3="8.91894"
                           zFract="0.3914769"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.28">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.08116"
                           xFract="0.13946915"
                           y3="0.62623"
                           yFract="0.13962391"
                           z3="5.37849"
                           zFract="0.24942803"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.39086"
                           xFract="0.1415983"
                           y3="2.88689"
                           yFract="0.64365948"
                           z3="5.50612"
                           zFract="0.24789102"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.69362"
                           xFract="0.64368953"
                           y3="0.63383"
                           yFract="0.1413184"
                           z3="5.51088"
                           zFract="0.24811918"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="5.00279"
                           xFract="0.6458828"
                           y3="2.89299"
                           yFract="0.64501953"
                           z3="5.74222"
                           zFract="0.2514761"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25515"
                           xFract="0.29101763"
                           y3="1.30529"
                           yFract="0.29102677"
                           z3="7.45865"
                           zFract="0.34298505"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.63047"
                           xFract="0.30624395"
                           y3="3.56225"
                           yFract="0.79423739"
                           z3="7.84768"
                           zFract="0.35358978"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.89868"
                           xFract="0.79480535"
                           y3="1.37087"
                           yFract="0.30564846"
                           z3="7.86662"
                           zFract="0.35448321"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.21949"
                           xFract="0.80250753"
                           y3="3.60069"
                           yFract="0.80280795"
                           z3="7.97855"
                           zFract="0.3522254"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.20343"
                           xFract="0.67685578"
                           y3="2.96337"
                           yFract="0.66071142"
                           z3="10.33494"
                           zFract="0.46732447"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.35864"
                           xFract="0.43307125"
                           y3="1.94712"
                           yFract="0.43412885"
                           z3="8.45544"
                           zFract="0.38572723"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.5344"
                           xFract="0.97319129"
                           y3="4.35276"
                           yFract="0.97048908"
                           z3="8.9171"
                           zFract="0.39142742"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.29">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.08097"
                           xFract="0.13947129"
                           y3="0.62588"
                           yFract="0.13954588"
                           z3="5.37892"
                           zFract="0.24944943"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.39077"
                           xFract="0.14169973"
                           y3="2.88582"
                           yFract="0.64342091"
                           z3="5.50685"
                           zFract="0.24792749"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.69295"
                           xFract="0.6435289"
                           y3="0.63411"
                           yFract="0.14138083"
                           z3="5.51151"
                           zFract="0.24815035"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="5.0025"
                           xFract="0.64584673"
                           y3="2.89281"
                           yFract="0.6449794"
                           z3="5.74191"
                           zFract="0.25146262"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.25381"
                           xFract="0.29087518"
                           y3="1.30424"
                           yFract="0.29079267"
                           z3="7.4590"
                           zFract="0.34300717"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.6305"
                           xFract="0.30640413"
                           y3="3.56086"
                           yFract="0.79392748"
                           z3="7.8474"
                           zFract="0.35357882"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.89779"
                           xFract="0.79456109"
                           y3="1.37152"
                           yFract="0.30579338"
                           z3="7.86638"
                           zFract="0.35447337"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.21778"
                           xFract="0.80225246"
                           y3="3.60001"
                           yFract="0.80265634"
                           z3="7.97746"
                           zFract="0.35218008"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.2037"
                           xFract="0.67680581"
                           y3="2.96429"
                           yFract="0.66091654"
                           z3="10.33526"
                           zFract="0.46733725"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.35685"
                           xFract="0.43282736"
                           y3="1.9462"
                           yFract="0.43392373"
                           z3="8.45559"
                           zFract="0.38574101"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.53106"
                           xFract="0.97277436"
                           y3="4.3507"
                           yFract="0.97002979"
                           z3="8.91645"
                           zFract="0.39140985"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.30">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.07772"
                           xFract="0.13913396"
                           y3="0.62326"
                           yFract="0.13896172"
                           z3="5.37977"
                           zFract="0.24950326"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.38845"
                           xFract="0.14138559"
                           y3="2.88461"
                           yFract="0.64315113"
                           z3="5.50913"
                           zFract="0.24804371"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.69209"
                           xFract="0.64353923"
                           y3="0.63252"
                           yFract="0.14102633"
                           z3="5.51274"
                           zFract="0.24821348"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="5.00116"
                           xFract="0.6457065"
                           y3="2.89174"
                           yFract="0.64474083"
                           z3="5.74005"
                           zFract="0.25138057"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24906"
                           xFract="0.29029116"
                           y3="1.30123"
                           yFract="0.29012156"
                           z3="7.46231"
                           zFract="0.34318197"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.62456"
                           xFract="0.3057311"
                           y3="3.55658"
                           yFract="0.79297321"
                           z3="7.84566"
                           zFract="0.35352106"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.89188"
                           xFract="0.79370839"
                           y3="1.36891"
                           yFract="0.30521145"
                           z3="7.86446"
                           zFract="0.35440426"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.21477"
                           xFract="0.80184158"
                           y3="3.59847"
                           yFract="0.80231298"
                           z3="7.97642"
                           zFract="0.3521423"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.20265"
                           xFract="0.67635514"
                           y3="2.96652"
                           yFract="0.66141374"
                           z3="10.33784"
                           zFract="0.4674582"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.3535"
                           xFract="0.43245293"
                           y3="1.94374"
                           yFract="0.43337525"
                           z3="8.45642"
                           zFract="0.38579391"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.52439"
                           xFract="0.97191355"
                           y3="4.34684"
                           yFract="0.96916916"
                           z3="8.91095"
                           zFract="0.39117622"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.31">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.07248"
                           xFract="0.13859182"
                           y3="0.61902"
                           yFract="0.13801637"
                           z3="5.38114"
                           zFract="0.24959006"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.38469"
                           xFract="0.14087414"
                           y3="2.88267"
                           yFract="0.64271859"
                           z3="5.51283"
                           zFract="0.24823225"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6907"
                           xFract="0.64355593"
                           y3="0.62995"
                           yFract="0.14045332"
                           z3="5.51472"
                           zFract="0.24831514"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.99899"
                           xFract="0.645478"
                           y3="2.89002"
                           yFract="0.64435734"
                           z3="5.73706"
                           zFract="0.25124873"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.24138"
                           xFract="0.28934616"
                           y3="1.29637"
                           yFract="0.28903797"
                           z3="7.46766"
                           zFract="0.3434645"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.61496"
                           xFract="0.30464147"
                           y3="3.54968"
                           yFract="0.79143479"
                           z3="7.84284"
                           zFract="0.35342733"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.88232"
                           xFract="0.79232885"
                           y3="1.36469"
                           yFract="0.30427057"
                           z3="7.86136"
                           zFract="0.35429273"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.2099"
                           xFract="0.8011755"
                           y3="3.59599"
                           yFract="0.80176004"
                           z3="7.97473"
                           zFract="0.35208081"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.20096"
                           xFract="0.67562748"
                           y3="2.97013"
                           yFract="0.66221863"
                           z3="10.3420"
                           zFract="0.46765319"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.3481"
                           xFract="0.43184875"
                           y3="1.93978"
                           yFract="0.43249233"
                           z3="8.45777"
                           zFract="0.38587976"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.51363"
                           xFract="0.97052525"
                           y3="4.34061"
                           yFract="0.96778013"
                           z3="8.90208"
                           zFract="0.39079946"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.32">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.07087"
                           xFract="0.13844049"
                           y3="0.61758"
                           yFract="0.13769531"
                           z3="5.38127"
                           zFract="0.24960324"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.38268"
                           xFract="0.14068102"
                           y3="2.88091"
                           yFract="0.64232618"
                           z3="5.51307"
                           zFract="0.2482523"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.68868"
                           xFract="0.64326425"
                           y3="0.62906"
                           yFract="0.14025489"
                           z3="5.51467"
                           zFract="0.2483201"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.99754"
                           xFract="0.64529319"
                           y3="2.88916"
                           yFract="0.6441656"
                           z3="5.73614"
                           zFract="0.25121097"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.23673"
                           xFract="0.28876704"
                           y3="1.29349"
                           yFract="0.28839585"
                           z3="7.46924"
                           zFract="0.34355722"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.61154"
                           xFract="0.30424572"
                           y3="3.54729"
                           yFract="0.79090192"
                           z3="7.84127"
                           zFract="0.35336716"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.87861"
                           xFract="0.79180707"
                           y3="1.36293"
                           yFract="0.30387816"
                           z3="7.85935"
                           zFract="0.3542116"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.20491"
                           xFract="0.80054953"
                           y3="3.59294"
                           yFract="0.80108002"
                           z3="7.97496"
                           zFract="0.35211115"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.19912"
                           xFract="0.67516847"
                           y3="2.97106"
                           yFract="0.66242598"
                           z3="10.34282"
                           zFract="0.46769561"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.34643"
                           xFract="0.43169915"
                           y3="1.93822"
                           yFract="0.43214451"
                           z3="8.45944"
                           zFract="0.38596593"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.51049"
                           xFract="0.97008146"
                           y3="4.33914"
                           yFract="0.96745238"
                           z3="8.89902"
                           zFract="0.3906667"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.33">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06603"
                           xFract="0.13798789"
                           y3="0.61323"
                           yFract="0.13672544"
                           z3="5.38167"
                           zFract="0.24964333"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.37664"
                           xFract="0.14009861"
                           y3="2.87564"
                           yFract="0.64115118"
                           z3="5.5138"
                           zFract="0.24831295"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.68261"
                           xFract="0.64238839"
                           y3="0.62638"
                           yFract="0.13965736"
                           z3="5.51451"
                           zFract="0.24833455"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9932"
                           xFract="0.64473846"
                           y3="2.8866"
                           yFract="0.64359482"
                           z3="5.73338"
                           zFract="0.25109764"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22278"
                           xFract="0.28703301"
                           y3="1.28482"
                           yFract="0.28646279"
                           z3="7.47398"
                           zFract="0.34383545"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.60126"
                           xFract="0.30305462"
                           y3="3.54012"
                           yFract="0.7893033"
                           z3="7.83658"
                           zFract="0.35318767"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86746"
                           xFract="0.79023675"
                           y3="1.35766"
                           yFract="0.30270316"
                           z3="7.85333"
                           zFract="0.35396874"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.18994"
                           xFract="0.79867272"
                           y3="3.58378"
                           yFract="0.79903771"
                           z3="7.97566"
                           zFract="0.35220265"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.19361"
                           xFract="0.67379225"
                           y3="2.97386"
                           yFract="0.66305026"
                           z3="10.34526"
                           zFract="0.46782187"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.3414"
                           xFract="0.43124648"
                           y3="1.93354"
                           yFract="0.43110106"
                           z3="8.46446"
                           zFract="0.38622495"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.50106"
                           xFract="0.96874926"
                           y3="4.33472"
                           yFract="0.96646689"
                           z3="8.88985"
                           zFract="0.39026893"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.34">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06534"
                           xFract="0.13786671"
                           y3="0.61312"
                           yFract="0.13670091"
                           z3="5.37974"
                           zFract="0.24955451"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.37513"
                           xFract="0.14001992"
                           y3="2.87372"
                           yFract="0.6407231"
                           z3="5.51218"
                           zFract="0.24824413"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6794"
                           xFract="0.64181445"
                           y3="0.62596"
                           yFract="0.13956371"
                           z3="5.51395"
                           zFract="0.24831811"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.99112"
                           xFract="0.64446961"
                           y3="2.8854"
                           yFract="0.64332727"
                           z3="5.73342"
                           zFract="0.25110753"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2229"
                           xFract="0.28705954"
                           y3="1.28479"
                           yFract="0.2864561"
                           z3="7.47527"
                           zFract="0.34389597"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.5991"
                           xFract="0.30284027"
                           y3="3.53829"
                           yFract="0.78889528"
                           z3="7.83563"
                           zFract="0.35315216"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86472"
                           xFract="0.78986362"
                           y3="1.35625"
                           yFract="0.30238879"
                           z3="7.8512"
                           zFract="0.35387857"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.18565"
                           xFract="0.79816209"
                           y3="3.58091"
                           yFract="0.79839781"
                           z3="7.97664"
                           zFract="0.35226603"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.19031"
                           xFract="0.673252"
                           y3="2.97298"
                           yFract="0.66285406"
                           z3="10.34452"
                           zFract="0.46779797"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.33839"
                           xFract="0.43088557"
                           y3="1.93155"
                           yFract="0.43065737"
                           z3="8.46405"
                           zFract="0.38621762"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.50083"
                           xFract="0.96867481"
                           y3="4.33499"
                           yFract="0.96652709"
                           z3="8.89017"
                           zFract="0.39028423"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.35">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06442"
                           xFract="0.1377044"
                           y3="0.61298"
                           yFract="0.1366697"
                           z3="5.3772"
                           zFract="0.24943764"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.37314"
                           xFract="0.13991618"
                           y3="2.87119"
                           yFract="0.64015901"
                           z3="5.51004"
                           zFract="0.2481532"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67517"
                           xFract="0.64105775"
                           y3="0.62541"
                           yFract="0.13944109"
                           z3="5.5132"
                           zFract="0.24829587"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.98839"
                           xFract="0.6441173"
                           y3="2.88382"
                           yFract="0.64297499"
                           z3="5.73346"
                           zFract="0.25111993"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22305"
                           xFract="0.28709409"
                           y3="1.28474"
                           yFract="0.28644496"
                           z3="7.47697"
                           zFract="0.34397578"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.59625"
                           xFract="0.30255805"
                           y3="3.53587"
                           yFract="0.78835572"
                           z3="7.83437"
                           zFract="0.35310502"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.86112"
                           xFract="0.78937421"
                           y3="1.35439"
                           yFract="0.30197408"
                           z3="7.84839"
                           zFract="0.35375957"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.18001"
                           xFract="0.79749264"
                           y3="3.57712"
                           yFract="0.7975528"
                           z3="7.97794"
                           zFract="0.35234993"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.18597"
                           xFract="0.67254067"
                           y3="2.97183"
                           yFract="0.66259766"
                           z3="10.34355"
                           zFract="0.46776668"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.33442"
                           xFract="0.43041015"
                           y3="1.92892"
                           yFract="0.43007099"
                           z3="8.46351"
                           zFract="0.38620801"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.50054"
                           xFract="0.96857987"
                           y3="4.33534"
                           yFract="0.96660513"
                           z3="8.89059"
                           zFract="0.39030428"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.36">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.06288"
                           xFract="0.13743333"
                           y3="0.61274"
                           yFract="0.13661619"
                           z3="5.37589"
                           zFract="0.24938072"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.3711"
                           xFract="0.13958399"
                           y3="2.87063"
                           yFract="0.64003416"
                           z3="5.50869"
                           zFract="0.24809637"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.67267"
                           xFract="0.64075324"
                           y3="0.6238"
                           yFract="0.13908212"
                           z3="5.51253"
                           zFract="0.24827418"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.98596"
                           xFract="0.64379856"
                           y3="2.88246"
                           yFract="0.64267177"
                           z3="5.73349"
                           zFract="0.25113063"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.22076"
                           xFract="0.2867902"
                           y3="1.28349"
                           yFract="0.28616626"
                           z3="7.47546"
                           zFract="0.34391328"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.59314"
                           xFract="0.30196902"
                           y3="3.53576"
                           yFract="0.78833119"
                           z3="7.83337"
                           zFract="0.35306703"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85915"
                           xFract="0.78932876"
                           y3="1.35137"
                           yFract="0.30130075"
                           z3="7.84574"
                           zFract="0.35364535"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.17765"
                           xFract="0.7972574"
                           y3="3.57513"
                           yFract="0.79710911"
                           z3="7.97879"
                           zFract="0.35240014"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.18088"
                           xFract="0.67177542"
                           y3="2.96986"
                           yFract="0.66215843"
                           z3="10.34274"
                           zFract="0.46774647"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.33205"
                           xFract="0.43012188"
                           y3="1.92739"
                           yFract="0.42972986"
                           z3="8.46419"
                           zFract="0.38624947"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.50077"
                           xFract="0.96858657"
                           y3="4.33568"
                           yFract="0.96668094"
                           z3="8.89151"
                           zFract="0.39034643"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.37">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0591"
                           xFract="0.13676918"
                           y3="0.61214"
                           yFract="0.13648241"
                           z3="5.37267"
                           zFract="0.2492408"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36609"
                           xFract="0.13877089"
                           y3="2.86923"
                           yFract="0.63972201"
                           z3="5.50535"
                           zFract="0.24795569"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66654"
                           xFract="0.64000794"
                           y3="0.61984"
                           yFract="0.1381992"
                           z3="5.5109"
                           zFract="0.24822163"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.98002"
                           xFract="0.64302113"
                           y3="2.87912"
                           yFract="0.64192708"
                           z3="5.73356"
                           zFract="0.25115665"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.21513"
                           xFract="0.28604494"
                           y3="1.2804"
                           yFract="0.28547731"
                           z3="7.47174"
                           zFract="0.34375929"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.5855"
                           xFract="0.30052197"
                           y3="3.53549"
                           yFract="0.78827099"
                           z3="7.83091"
                           zFract="0.35297354"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85432"
                           xFract="0.78921684"
                           y3="1.34397"
                           yFract="0.29965085"
                           z3="7.83923"
                           zFract="0.35336471"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.17184"
                           xFract="0.79667725"
                           y3="3.57024"
                           yFract="0.79601884"
                           z3="7.98089"
                           zFract="0.35252408"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.16838"
                           xFract="0.66989635"
                           y3="2.96502"
                           yFract="0.6610793"
                           z3="10.34074"
                           zFract="0.46769632"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.32624"
                           xFract="0.42941513"
                           y3="1.92364"
                           yFract="0.42889376"
                           z3="8.46587"
                           zFract="0.38635171"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.50133"
                           xFract="0.96860377"
                           y3="4.3365"
                           yFract="0.96686376"
                           z3="8.89376"
                           zFract="0.39044953"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.38">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.0560"
                           xFract="0.13631535"
                           y3="0.61083"
                           yFract="0.13619034"
                           z3="5.37173"
                           zFract="0.24920762"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.36342"
                           xFract="0.13820473"
                           y3="2.86968"
                           yFract="0.63982235"
                           z3="5.50554"
                           zFract="0.2479716"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66505"
                           xFract="0.63999309"
                           y3="0.61738"
                           yFract="0.13765072"
                           z3="5.51027"
                           zFract="0.24820034"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97713"
                           xFract="0.6426179"
                           y3="2.87772"
                           yFract="0.64161494"
                           z3="5.73326"
                           zFract="0.25115318"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2123"
                           xFract="0.2856533"
                           y3="1.2790"
                           yFract="0.28516517"
                           z3="7.46909"
                           zFract="0.34364484"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.58323"
                           xFract="0.30040408"
                           y3="3.5326"
                           yFract="0.78762664"
                           z3="7.82983"
                           zFract="0.35293399"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.85019"
                           xFract="0.7885239"
                           y3="1.34302"
                           yFract="0.29943903"
                           z3="7.83647"
                           zFract="0.35324808"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.17027"
                           xFract="0.79654698"
                           y3="3.56868"
                           yFract="0.79567102"
                           z3="7.98167"
                           zFract="0.35256799"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.16124"
                           xFract="0.66880807"
                           y3="2.96239"
                           yFract="0.66049292"
                           z3="10.33994"
                           zFract="0.4676836"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.32365"
                           xFract="0.42910099"
                           y3="1.92196"
                           yFract="0.42851919"
                           z3="8.46488"
                           zFract="0.38631531"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.49975"
                           xFract="0.96839271"
                           y3="4.33565"
                           yFract="0.96667425"
                           z3="8.89595"
                           zFract="0.39055877"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.39">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05164"
                           xFract="0.13567901"
                           y3="0.60897"
                           yFract="0.13577563"
                           z3="5.37041"
                           zFract="0.24916106"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35964"
                           xFract="0.13740286"
                           y3="2.87032"
                           yFract="0.63996504"
                           z3="5.5058"
                           zFract="0.24799369"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66295"
                           xFract="0.63997249"
                           y3="0.61391"
                           yFract="0.13687705"
                           z3="5.50937"
                           zFract="0.24816976"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97304"
                           xFract="0.64204708"
                           y3="2.87574"
                           yFract="0.64117348"
                           z3="5.73285"
                           zFract="0.25114896"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20832"
                           xFract="0.28510376"
                           y3="1.27702"
                           yFract="0.28472371"
                           z3="7.46534"
                           zFract="0.34348283"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.58003"
                           xFract="0.30023967"
                           y3="3.52851"
                           yFract="0.78671474"
                           z3="7.82832"
                           zFract="0.35287886"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.84437"
                           xFract="0.78754755"
                           y3="1.34168"
                           yFract="0.29914027"
                           z3="7.83257"
                           zFract="0.35308323"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.16806"
                           xFract="0.79636406"
                           y3="3.56648"
                           yFract="0.79518051"
                           z3="7.98277"
                           zFract="0.35262991"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.15116"
                           xFract="0.66727024"
                           y3="2.95869"
                           yFract="0.65966797"
                           z3="10.33881"
                           zFract="0.46766558"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.32001"
                           xFract="0.42865938"
                           y3="1.9196"
                           yFract="0.42799301"
                           z3="8.46347"
                           zFract="0.38626327"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.4975"
                           xFract="0.96809099"
                           y3="4.33445"
                           yFract="0.9664067"
                           z3="8.89904"
                           zFract="0.39071296"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.40">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.05018"
                           xFract="0.13554224"
                           y3="0.60766"
                           yFract="0.13548355"
                           z3="5.37066"
                           zFract="0.24917925"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35864"
                           xFract="0.1373206"
                           y3="2.86932"
                           yFract="0.63974208"
                           z3="5.50707"
                           zFract="0.24805813"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.66225"
                           xFract="0.63985604"
                           y3="0.61374"
                           yFract="0.13683915"
                           z3="5.50891"
                           zFract="0.24815037"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.97199"
                           xFract="0.64184964"
                           y3="2.87569"
                           yFract="0.64116233"
                           z3="5.73209"
                           zFract="0.25111624"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20682"
                           xFract="0.28493149"
                           y3="1.27596"
                           yFract="0.28448737"
                           z3="7.46471"
                           zFract="0.34345922"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.57865"
                           xFract="0.30004618"
                           y3="3.52785"
                           yFract="0.78656758"
                           z3="7.8293"
                           zFract="0.35293015"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.84292"
                           xFract="0.78736385"
                           y3="1.34081"
                           yFract="0.29894629"
                           z3="7.83347"
                           zFract="0.3531313"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.16813"
                           xFract="0.79635538"
                           y3="3.56668"
                           yFract="0.7952251"
                           z3="7.98387"
                           zFract="0.35268124"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.14721"
                           xFract="0.66661655"
                           y3="2.9577"
                           yFract="0.65944724"
                           z3="10.33804"
                           zFract="0.46764233"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.31726"
                           xFract="0.42831986"
                           y3="1.91787"
                           yFract="0.42760729"
                           z3="8.46031"
                           zFract="0.3861251"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.49479"
                           xFract="0.96773255"
                           y3="4.33296"
                           yFract="0.96607449"
                           z3="8.89878"
                           zFract="0.390711"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.41">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04676"
                           xFract="0.13522091"
                           y3="0.6046"
                           yFract="0.1348013"
                           z3="5.37124"
                           zFract="0.24922158"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35628"
                           xFract="0.13712534"
                           y3="2.86697"
                           yFract="0.63921813"
                           z3="5.51005"
                           zFract="0.24820937"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.6606"
                           xFract="0.63958369"
                           y3="0.61332"
                           yFract="0.13674551"
                           z3="5.50784"
                           zFract="0.24810538"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96951"
                           xFract="0.64138351"
                           y3="2.87557"
                           yFract="0.64113558"
                           z3="5.73029"
                           zFract="0.25103873"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.2033"
                           xFract="0.28452529"
                           y3="1.27349"
                           yFract="0.28393666"
                           z3="7.46324"
                           zFract="0.34340419"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.57543"
                           xFract="0.29959359"
                           y3="3.52632"
                           yFract="0.78622646"
                           z3="7.83161"
                           zFract="0.35305091"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83952"
                           xFract="0.78693532"
                           y3="1.33875"
                           yFract="0.298487"
                           z3="7.83558"
                           zFract="0.35324403"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.16831"
                           xFract="0.79633576"
                           y3="3.56717"
                           yFract="0.79533435"
                           z3="7.98645"
                           zFract="0.35280155"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.13797"
                           xFract="0.66508674"
                           y3="2.95539"
                           yFract="0.6589322"
                           z3="10.33625"
                           zFract="0.46758845"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.31084"
                           xFract="0.42752849"
                           y3="1.91382"
                           yFract="0.4267043"
                           z3="8.45292"
                           zFract="0.38580196"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.48843"
                           xFract="0.9668917"
                           y3="4.32946"
                           yFract="0.96529413"
                           z3="8.89817"
                           zFract="0.39070644"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.42">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04582"
                           xFract="0.1351247"
                           y3="0.60383"
                           yFract="0.13462962"
                           z3="5.37155"
                           zFract="0.24924019"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35549"
                           xFract="0.13707256"
                           y3="2.86607"
                           yFract="0.63901746"
                           z3="5.51043"
                           zFract="0.24823107"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65997"
                           xFract="0.63945745"
                           y3="0.61336"
                           yFract="0.13675442"
                           z3="5.5077"
                           zFract="0.24810053"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96901"
                           xFract="0.64130462"
                           y3="2.87541"
                           yFract="0.6410999"
                           z3="5.73043"
                           zFract="0.25104704"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.20075"
                           xFract="0.28422888"
                           y3="1.27172"
                           yFract="0.28354202"
                           z3="7.46199"
                           zFract="0.34335557"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.57515"
                           xFract="0.2995761"
                           y3="3.52599"
                           yFract="0.78615288"
                           z3="7.8326"
                           zFract="0.35309895"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83924"
                           xFract="0.78687563"
                           y3="1.3388"
                           yFract="0.29849814"
                           z3="7.8364"
                           zFract="0.35328342"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.16694"
                           xFract="0.79613087"
                           y3="3.56663"
                           yFract="0.79521395"
                           z3="7.98677"
                           zFract="0.35282149"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.13479"
                           xFract="0.66455636"
                           y3="2.95463"
                           yFract="0.65876275"
                           z3="10.33552"
                           zFract="0.46756448"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.30912"
                           xFract="0.42731369"
                           y3="1.91276"
                           yFract="0.42646797"
                           z3="8.45109"
                           zFract="0.38572241"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.48594"
                           xFract="0.96655913"
                           y3="4.32812"
                           yFract="0.96499536"
                           z3="8.89823"
                           zFract="0.39071869"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.43">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04391"
                           xFract="0.13492981"
                           y3="0.60226"
                           yFract="0.13427957"
                           z3="5.37219"
                           zFract="0.2492785"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35388"
                           xFract="0.13696344"
                           y3="2.86425"
                           yFract="0.63861168"
                           z3="5.5112"
                           zFract="0.24827506"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65869"
                           xFract="0.63919999"
                           y3="0.61345"
                           yFract="0.13677449"
                           z3="5.5074"
                           zFract="0.24808993"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96799"
                           xFract="0.64114407"
                           y3="2.87508"
                           yFract="0.64102633"
                           z3="5.7307"
                           zFract="0.25106326"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19556"
                           xFract="0.28362644"
                           y3="1.26811"
                           yFract="0.28273714"
                           z3="7.45944"
                           zFract="0.34325634"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.57457"
                           xFract="0.29953839"
                           y3="3.52532"
                           yFract="0.7860035"
                           z3="7.83461"
                           zFract="0.35319651"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83868"
                           xFract="0.78675737"
                           y3="1.33889"
                           yFract="0.29851821"
                           z3="7.83808"
                           zFract="0.3533641"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.16417"
                           xFract="0.79571641"
                           y3="3.56554"
                           yFract="0.79497093"
                           z3="7.98744"
                           zFract="0.35286289"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.12832"
                           xFract="0.66347656"
                           y3="2.95309"
                           yFract="0.6584194"
                           z3="10.33403"
                           zFract="0.46751547"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.30563"
                           xFract="0.42687664"
                           y3="1.91062"
                           yFract="0.42599083"
                           z3="8.44736"
                           zFract="0.38556018"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.48087"
                           xFract="0.96588104"
                           y3="4.3254"
                           yFract="0.96438891"
                           z3="8.89835"
                           zFract="0.39074352"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.44">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04342"
                           xFract="0.13484507"
                           y3="0.60217"
                           yFract="0.13425951"
                           z3="5.3715"
                           zFract="0.24924753"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35374"
                           xFract="0.13691416"
                           y3="2.86445"
                           yFract="0.63865627"
                           z3="5.51027"
                           zFract="0.24823128"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65867"
                           xFract="0.63920723"
                           y3="0.61335"
                           yFract="0.13675219"
                           z3="5.50771"
                           zFract="0.24810477"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96815"
                           xFract="0.64121055"
                           y3="2.87476"
                           yFract="0.64095498"
                           z3="5.7317"
                           zFract="0.25111048"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19512"
                           xFract="0.28359135"
                           y3="1.26766"
                           yFract="0.28263681"
                           z3="7.45926"
                           zFract="0.34324988"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.57383"
                           xFract="0.29946196"
                           y3="3.52472"
                           yFract="0.78586972"
                           z3="7.83514"
                           zFract="0.35322464"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83829"
                           xFract="0.78669752"
                           y3="1.33875"
                           yFract="0.298487"
                           z3="7.83835"
                           zFract="0.35337819"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.16268"
                           xFract="0.79552053"
                           y3="3.56471"
                           yFract="0.79478587"
                           z3="7.9864"
                           zFract="0.35281954"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.12701"
                           xFract="0.66324218"
                           y3="2.95292"
                           yFract="0.65838149"
                           z3="10.33436"
                           zFract="0.46753509"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.30535"
                           xFract="0.42683584"
                           y3="1.9105"
                           yFract="0.42596408"
                           z3="8.44727"
                           zFract="0.38555695"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.48012"
                           xFract="0.96577159"
                           y3="4.32508"
                           yFract="0.96431757"
                           z3="8.89841"
                           zFract="0.39074905"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.45">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04226"
                           xFract="0.13464524"
                           y3="0.60195"
                           yFract="0.13421046"
                           z3="5.36985"
                           zFract="0.24917345"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.3534"
                           xFract="0.13679512"
                           y3="2.86493"
                           yFract="0.63876329"
                           z3="5.50806"
                           zFract="0.24812726"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65863"
                           xFract="0.63922282"
                           y3="0.61314"
                           yFract="0.13670537"
                           z3="5.50844"
                           zFract="0.24813966"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96854"
                           xFract="0.64137035"
                           y3="2.8740"
                           yFract="0.64078553"
                           z3="5.73407"
                           zFract="0.25122237"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19407"
                           xFract="0.28350719"
                           y3="1.26659"
                           yFract="0.28239824"
                           z3="7.45884"
                           zFract="0.34323489"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.57206"
                           xFract="0.29927525"
                           y3="3.52332"
                           yFract="0.78555758"
                           z3="7.83639"
                           zFract="0.35329102"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83735"
                           xFract="0.78655356"
                           y3="1.33841"
                           yFract="0.29841119"
                           z3="7.83899"
                           zFract="0.35341164"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15913"
                           xFract="0.795053"
                           y3="3.56274"
                           yFract="0.79434664"
                           z3="7.98396"
                           zFract="0.35271803"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.1239"
                           xFract="0.66268868"
                           y3="2.95249"
                           yFract="0.65828562"
                           z3="10.33513"
                           zFract="0.46758109"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.30467"
                           xFract="0.42673658"
                           y3="1.91021"
                           yFract="0.42589942"
                           z3="8.44706"
                           zFract="0.38554949"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.47833"
                           xFract="0.96551105"
                           y3="4.32431"
                           yFract="0.96414589"
                           z3="8.89855"
                           zFract="0.3907621"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.46">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04246"
                           xFract="0.13468613"
                           y3="0.60193"
                           yFract="0.134206"
                           z3="5.36936"
                           zFract="0.2491498"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35385"
                           xFract="0.13688767"
                           y3="2.86488"
                           yFract="0.63875214"
                           z3="5.50741"
                           zFract="0.2480954"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65833"
                           xFract="0.63916149"
                           y3="0.61317"
                           yFract="0.13671206"
                           z3="5.50869"
                           zFract="0.24815226"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.9683"
                           xFract="0.6413495"
                           y3="2.87377"
                           yFract="0.64073425"
                           z3="5.73478"
                           zFract="0.25125693"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.1939"
                           xFract="0.283461"
                           y3="1.26671"
                           yFract="0.282425"
                           z3="7.45854"
                           zFract="0.34322104"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.56962"
                           xFract="0.2988213"
                           y3="3.52316"
                           yFract="0.7855219"
                           z3="7.83676"
                           zFract="0.35331578"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83638"
                           xFract="0.78657482"
                           y3="1.33653"
                           yFract="0.29799203"
                           z3="7.83933"
                           zFract="0.35343361"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15859"
                           xFract="0.79500858"
                           y3="3.5622"
                           yFract="0.79422624"
                           z3="7.98306"
                           zFract="0.35267806"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.12267"
                           xFract="0.66244089"
                           y3="2.95258"
                           yFract="0.65830569"
                           z3="10.33551"
                           zFract="0.4676024"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.30408"
                           xFract="0.4266625"
                           y3="1.90985"
                           yFract="0.42581915"
                           z3="8.4476"
                           zFract="0.38557726"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.47714"
                           xFract="0.96532763"
                           y3="4.32389"
                           yFract="0.96405224"
                           z3="8.89807"
                           zFract="0.39074361"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.47">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04256"
                           xFract="0.13470546"
                           y3="0.60193"
                           yFract="0.134206"
                           z3="5.36912"
                           zFract="0.2491382"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35407"
                           xFract="0.13693353"
                           y3="2.86485"
                           yFract="0.63874545"
                           z3="5.50709"
                           zFract="0.24807973"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65818"
                           xFract="0.63913027"
                           y3="0.61319"
                           yFract="0.13671652"
                           z3="5.50882"
                           zFract="0.24815879"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96817"
                           xFract="0.64133658"
                           y3="2.87366"
                           yFract="0.64070972"
                           z3="5.73514"
                           zFract="0.25127446"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19382"
                           xFract="0.28343998"
                           y3="1.26676"
                           yFract="0.28243614"
                           z3="7.4584"
                           zFract="0.34321458"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.5684"
                           xFract="0.29859432"
                           y3="3.52308"
                           yFract="0.78550407"
                           z3="7.83694"
                           zFract="0.35332792"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83589"
                           xFract="0.7865856"
                           y3="1.33558"
                           yFract="0.29778022"
                           z3="7.83951"
                           zFract="0.3534451"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15831"
                           xFract="0.79498443"
                           y3="3.56193"
                           yFract="0.79416604"
                           z3="7.98262"
                           zFract="0.35265857"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.12206"
                           xFract="0.66231741"
                           y3="2.95263"
                           yFract="0.65831683"
                           z3="10.3357"
                           zFract="0.46761304"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.30378"
                           xFract="0.42662449"
                           y3="1.90967"
                           yFract="0.42577902"
                           z3="8.44787"
                           zFract="0.38559115"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.47654"
                           xFract="0.96523496"
                           y3="4.32368"
                           yFract="0.96400542"
                           z3="8.89783"
                           zFract="0.39073437"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.48">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04305"
                           xFract="0.13479353"
                           y3="0.60199"
                           yFract="0.13421937"
                           z3="5.36928"
                           zFract="0.24914423"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35454"
                           xFract="0.13704105"
                           y3="2.8647"
                           yFract="0.63871201"
                           z3="5.5071"
                           zFract="0.24807909"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65799"
                           xFract="0.6391002"
                           y3="0.61313"
                           yFract="0.13670314"
                           z3="5.50863"
                           zFract="0.24815048"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96774"
                           xFract="0.64126678"
                           y3="2.87354"
                           yFract="0.64068297"
                           z3="5.73537"
                           zFract="0.25128674"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.1934"
                           xFract="0.28333879"
                           y3="1.26694"
                           yFract="0.28247628"
                           z3="7.45823"
                           zFract="0.34320748"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.56742"
                           xFract="0.29847705"
                           y3="3.52243"
                           yFract="0.78535914"
                           z3="7.83657"
                           zFract="0.35331439"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83467"
                           xFract="0.78641193"
                           y3="1.33502"
                           yFract="0.29765536"
                           z3="7.83935"
                           zFract="0.35344201"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15734"
                           xFract="0.79487798"
                           y3="3.5612"
                           yFract="0.79400328"
                           z3="7.98233"
                           zFract="0.35264891"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.12144"
                           xFract="0.662172"
                           y3="2.95286"
                           yFract="0.65836812"
                           z3="10.33548"
                           zFract="0.46760407"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.30304"
                           xFract="0.42653807"
                           y3="1.90916"
                           yFract="0.42566531"
                           z3="8.44875"
                           zFract="0.38563563"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.47477"
                           xFract="0.96498161"
                           y3="4.32288"
                           yFract="0.96382705"
                           z3="8.89815"
                           zFract="0.3907559"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.49">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04412"
                           xFract="0.13498484"
                           y3="0.60213"
                           yFract="0.13425059"
                           z3="5.36964"
                           zFract="0.24915788"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35558"
                           xFract="0.13727988"
                           y3="2.86436"
                           yFract="0.6386362"
                           z3="5.50714"
                           zFract="0.24807854"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65756"
                           xFract="0.63902929"
                           y3="0.61302"
                           yFract="0.13667862"
                           z3="5.50822"
                           zFract="0.24813257"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96679"
                           xFract="0.6411131"
                           y3="2.87327"
                           yFract="0.64062277"
                           z3="5.73587"
                           zFract="0.25131351"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.1925"
                           xFract="0.28312037"
                           y3="1.26734"
                           yFract="0.28256546"
                           z3="7.45786"
                           zFract="0.34319196"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.56529"
                           xFract="0.29822297"
                           y3="3.52101"
                           yFract="0.78504254"
                           z3="7.83578"
                           zFract="0.35328566"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83202"
                           xFract="0.78603511"
                           y3="1.3338"
                           yFract="0.29738335"
                           z3="7.8390"
                           zFract="0.35343519"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15523"
                           xFract="0.79464665"
                           y3="3.55961"
                           yFract="0.79364878"
                           z3="7.98171"
                           zFract="0.35262843"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.12011"
                           xFract="0.66185823"
                           y3="2.95337"
                           yFract="0.65848182"
                           z3="10.33501"
                           zFract="0.4675849"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.30143"
                           xFract="0.42635009"
                           y3="1.90805"
                           yFract="0.42541783"
                           z3="8.45068"
                           zFract="0.38573313"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.4709"
                           xFract="0.9644289"
                           y3="4.32112"
                           yFract="0.96343465"
                           z3="8.89885"
                           zFract="0.39080301"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.50">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04394"
                           xFract="0.13494671"
                           y3="0.60216"
                           yFract="0.13425728"
                           z3="5.36984"
                           zFract="0.24916778"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.35533"
                           xFract="0.13721378"
                           y3="2.86452"
                           yFract="0.63867188"
                           z3="5.50722"
                           zFract="0.24808277"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65787"
                           xFract="0.63914364"
                           y3="0.61253"
                           yFract="0.13656937"
                           z3="5.50796"
                           zFract="0.24812024"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96686"
                           xFract="0.64116439"
                           y3="2.87293"
                           yFract="0.64054696"
                           z3="5.73561"
                           zFract="0.25130162"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.19156"
                           xFract="0.28298751"
                           y3="1.2669"
                           yFract="0.28246736"
                           z3="7.4582"
                           zFract="0.34321144"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.5643"
                           xFract="0.29803046"
                           y3="3.52102"
                           yFract="0.78504477"
                           z3="7.83573"
                           zFract="0.35328614"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.83103"
                           xFract="0.78592257"
                           y3="1.33309"
                           yFract="0.29722505"
                           z3="7.83867"
                           zFract="0.35342368"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15404"
                           xFract="0.794471"
                           y3="3.55912"
                           yFract="0.79353953"
                           z3="7.98159"
                           zFract="0.35262702"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.11921"
                           xFract="0.66166646"
                           y3="2.95353"
                           yFract="0.6585175"
                           z3="10.33471"
                           zFract="0.46757308"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.30029"
                           xFract="0.42620411"
                           y3="1.90738"
                           yFract="0.42526844"
                           z3="8.45167"
                           zFract="0.38578422"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.4692"
                           xFract="0.96421686"
                           y3="4.32007"
                           yFract="0.96320054"
                           z3="8.89883"
                           zFract="0.39080873"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.51">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                           id="a1"
                           x3="2.61043"
                           xFract="0.33686918"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.27381"
                           zFract="0.05000384"/>
                     <atom elementType="Cu"
                           id="a2"
                           x3="3.89871"
                           xFract="0.33686744"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.43209"
                           zFract="0.05000401"/>
                     <atom elementType="Cu"
                           id="a3"
                           x3="5.19669"
                           xFract="0.83686841"
                           y3="1.51089"
                           yFract="0.33686724"
                           z3="1.43209"
                           zFract="0.05000399"/>
                     <atom elementType="Cu"
                           id="a4"
                           x3="6.48498"
                           xFract="0.8368686"
                           y3="3.75345"
                           yFract="0.83686724"
                           z3="1.59037"
                           zFract="0.05000413"/>
                     <atom elementType="Cu"
                           id="a5"
                           x3="3.77278"
                           xFract="0.48686589"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.48969"
                           zFract="0.1500041"/>
                     <atom elementType="Cu"
                           id="a6"
                           x3="5.06107"
                           xFract="0.48686608"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.64797"
                           zFract="0.15000424"/>
                     <atom elementType="Cu"
                           id="a7"
                           x3="6.35905"
                           xFract="0.98686705"
                           y3="2.18366"
                           yFract="0.48686769"
                           z3="3.64797"
                           zFract="0.15000422"/>
                     <atom elementType="Cu"
                           id="a8"
                           x3="7.64734"
                           xFract="0.98686724"
                           y3="4.42622"
                           yFract="0.98686769"
                           z3="3.80624"
                           zFract="0.15000389"/>
                     <atom elementType="Cu"
                           id="a9"
                           x3="1.04362"
                           xFract="0.13487929"
                           y3="0.60221"
                           yFract="0.13426843"
                           z3="5.37018"
                           zFract="0.24918465"/>
                     <atom elementType="Cu"
                           id="a10"
                           x3="2.3549"
                           xFract="0.13709955"
                           y3="2.8648"
                           yFract="0.6387343"
                           z3="5.50737"
                           zFract="0.24809062"/>
                     <atom elementType="Cu"
                           id="a11"
                           x3="3.65838"
                           xFract="0.63933331"
                           y3="0.61171"
                           yFract="0.13638654"
                           z3="5.50753"
                           zFract="0.24809986"/>
                     <atom elementType="Cu"
                           id="a12"
                           x3="4.96698"
                           xFract="0.64125312"
                           y3="2.87234"
                           yFract="0.64041542"
                           z3="5.73517"
                           zFract="0.25128151"/>
                     <atom elementType="Cu"
                           id="a13"
                           x3="2.18997"
                           xFract="0.2827623"
                           y3="1.26616"
                           yFract="0.28230237"
                           z3="7.45876"
                           zFract="0.34324367"/>
                     <atom elementType="Cu"
                           id="a14"
                           x3="3.56263"
                           xFract="0.29770649"
                           y3="3.52103"
                           yFract="0.785047"
                           z3="7.83565"
                           zFract="0.35328717"/>
                     <atom elementType="Cu"
                           id="a15"
                           x3="4.82936"
                           xFract="0.78573187"
                           y3="1.3319"
                           yFract="0.29695972"
                           z3="7.83812"
                           zFract="0.35340455"/>
                     <atom elementType="Cu"
                           id="a16"
                           x3="6.15203"
                           xFract="0.79417237"
                           y3="3.55831"
                           yFract="0.79335893"
                           z3="7.98137"
                           zFract="0.3526238"/>
                     <atom elementType="I"
                           id="a17"
                           x3="5.1177"
                           xFract="0.66134344"
                           y3="2.95381"
                           yFract="0.65857993"
                           z3="10.3342"
                           zFract="0.46755292"/>
                     <atom elementType="H"
                           id="a18"
                           x3="3.29837"
                           xFract="0.42595731"
                           y3="1.90626"
                           yFract="0.42501873"
                           z3="8.45334"
                           zFract="0.38587037"/>
                     <atom elementType="H"
                           id="a19"
                           x3="7.46632"
                           xFract="0.96385665"
                           y3="4.3183"
                           yFract="0.9628059"
                           z3="8.8988"
                           zFract="0.39081858"/>
                  </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 a4" order="S"/>
                     <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                     <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                     <bond atomRefs2="a10 a13" order="S"/>
                     <bond atomRefs2="a10 a12" order="S"/>
                     <bond atomRefs2="a11 a13" order="S"/>
                     <bond atomRefs2="a11 a12" order="S"/>
                     <bond atomRefs2="a12 a15" order="S"/>
                     <bond atomRefs2="a12 a16" order="S"/>
                     <bond atomRefs2="a12 a14" order="S"/>
                     <bond atomRefs2="a13 a15" order="S"/>
                     <bond atomRefs2="a13 a18" order="S"/>
                     <bond atomRefs2="a13 a14" order="S"/>
                     <bond atomRefs2="a14 a15" order="S"/>
                     <bond atomRefs2="a14 a18" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a16" order="S"/>
                     <bond atomRefs2="a15 a18" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a17" order="S"/>
                  </bondArray>
                  <formula concise="H2Cu16I">
                     <atomArray count="2 16 1" elementType="H Cu I"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">1143.6404700000003</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="19">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="19">-0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="19">-0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000 0.000 -0.000 -0.000 0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="19">-0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000 0.000 0.000</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="19">-0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 0.000 -0.000 -0.000 -0.000 -0.000 -0.000 -0.000</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">-0.000</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">-0.000</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-29.13683322</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-29.11592756</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-29.12986467</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.1199</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1160557E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">5.182205355415781</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">5.1822062907028315</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">21.209092</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="Cu"
                        id="a1"
                        x3="2.61043"
                        xFract="0.33686918"
                        y3="1.51089"
                        yFract="0.33686724"
                        z3="1.27381"
                        zFract="0.05000384"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.89871"
                        xFract="0.33686744"
                        y3="3.75345"
                        yFract="0.83686724"
                        z3="1.43209"
                        zFract="0.05000401"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.19669"
                        xFract="0.83686841"
                        y3="1.51089"
                        yFract="0.33686724"
                        z3="1.43209"
                        zFract="0.05000399"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.48498"
                        xFract="0.8368686"
                        y3="3.75345"
                        yFract="0.83686724"
                        z3="1.59037"
                        zFract="0.05000413"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.77278"
                        xFract="0.48686589"
                        y3="2.18366"
                        yFract="0.48686769"
                        z3="3.48969"
                        zFract="0.1500041"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="5.06107"
                        xFract="0.48686608"
                        y3="4.42622"
                        yFract="0.98686769"
                        z3="3.64797"
                        zFract="0.15000424"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.35905"
                        xFract="0.98686705"
                        y3="2.18366"
                        yFract="0.48686769"
                        z3="3.64797"
                        zFract="0.15000422"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.64734"
                        xFract="0.98686724"
                        y3="4.42622"
                        yFract="0.98686769"
                        z3="3.80624"
                        zFract="0.15000389"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="1.04362"
                        xFract="0.13487929"
                        y3="0.60221"
                        yFract="0.13426843"
                        z3="5.37018"
                        zFract="0.24918465"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.3549"
                        xFract="0.13709955"
                        y3="2.8648"
                        yFract="0.6387343"
                        z3="5.50737"
                        zFract="0.24809062"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="3.65838"
                        xFract="0.63933331"
                        y3="0.61171"
                        yFract="0.13638654"
                        z3="5.50753"
                        zFract="0.24809986"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.96698"
                        xFract="0.64125312"
                        y3="2.87234"
                        yFract="0.64041542"
                        z3="5.73517"
                        zFract="0.25128151"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.18997"
                        xFract="0.2827623"
                        y3="1.26616"
                        yFract="0.28230237"
                        z3="7.45876"
                        zFract="0.34324367"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="3.56263"
                        xFract="0.29770649"
                        y3="3.52103"
                        yFract="0.785047"
                        z3="7.83565"
                        zFract="0.35328717"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.82936"
                        xFract="0.78573187"
                        y3="1.3319"
                        yFract="0.29695972"
                        z3="7.83812"
                        zFract="0.35340455"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.15203"
                        xFract="0.79417237"
                        y3="3.55831"
                        yFract="0.79335893"
                        z3="7.98137"
                        zFract="0.3526238"/>
                  <atom elementType="I"
                        id="a17"
                        x3="5.1177"
                        xFract="0.66134344"
                        y3="2.95381"
                        yFract="0.65857993"
                        z3="10.3342"
                        zFract="0.46755292"/>
                  <atom elementType="H"
                        id="a18"
                        x3="3.29837"
                        xFract="0.42595731"
                        y3="1.90626"
                        yFract="0.42501873"
                        z3="8.45334"
                        zFract="0.38587037"/>
                  <atom elementType="H"
                        id="a19"
                        x3="7.46632"
                        xFract="0.96385665"
                        y3="4.3183"
                        yFract="0.9628059"
                        z3="8.8988"
                        zFract="0.39081858"/>
               </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 a4" order="S"/>
                  <bond atomRefs2="a2 a6" 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 a8" order="S"/>
                  <bond atomRefs2="a4 a6" 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 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a18" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
               </bondArray>
               <formula concise="H2Cu16I">
                  <atomArray count="2 16 1" elementType="H Cu I"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1143.6404700000003</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
