<?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">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Sep 29 2021 13:38:42) complex</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.231827069</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.231827069</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">5.829072844</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Sn"
                        id="a1"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.91453642"
                        zFract="0.5000"/>
                  <atom elementType="Sn"
                        id="a2"
                        x3="4.11591353"
                        xFract="0.5000"
                        y3="4.11591353"
                        yFract="0.5000"
                        z3="2.91453642"
                        zFract="0.5000"/>
                  <atom elementType="Br"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Br"
                        id="a4"
                        x3="4.11591353"
                        xFract="0.5000"
                        y3="4.11591353"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Br"
                        id="a5"
                        x3="1.90645032"
                        xFract="0.23159504"
                        y3="2.20946313"
                        yFract="0.26840495"
                        z3="2.91453642"
                        zFract="0.5000"/>
                  <atom elementType="Br"
                        id="a6"
                        x3="6.32537691"
                        xFract="0.76840498"
                        y3="6.02236418"
                        yFract="0.73159508"
                        z3="2.91453642"
                        zFract="0.5000"/>
                  <atom elementType="Br"
                        id="a7"
                        x3="6.02236418"
                        xFract="0.73159508"
                        y3="1.90645032"
                        yFract="0.23159504"
                        z3="2.91453642"
                        zFract="0.5000"/>
                  <atom elementType="Br"
                        id="a8"
                        x3="2.20946313"
                        xFract="0.26840495"
                        y3="6.32537691"
                        yFract="0.76840498"
                        z3="2.91453642"
                        zFract="0.5000"/>
                  <atom elementType="Cs"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.11591353"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cs"
                        id="a10"
                        x3="4.11591353"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
               </atomArray>
               <bondArray/>
               <formula concise="Br6Cs2Sn2">
                  <atomArray count="6 2 2" elementType="Br Cs Sn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">982.6548999999999</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">-1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">88.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.04</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">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:exxoep">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">true</scalar>
               </parameter>
               <parameter dictRef="v:lsymgrad">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:precfock">
                  <scalar dataType="xsd:string">normal</scalar>
               </parameter>
               <parameter dictRef="v:lrhfcalc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lrscor">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lthomas">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lmodelhf">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:encut4o">
                  <scalar dataType="xsd:string">-1.0</scalar>
               </parameter>
               <parameter dictRef="v:lmaxfock">
                  <scalar dataType="xsd:string">4</scalar>
               </parameter>
               <parameter dictRef="v:lmaxfockae">
                  <scalar dataType="xsd:string">-1</scalar>
               </parameter>
               <parameter dictRef="v:nmaxfockae">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:lfockaedft">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:nkredx">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:nkredy">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:nkredz">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:shiftred">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:hfkident">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:oddonly">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:evenonly">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:hfalpha">
                  <scalar dataType="xsd:string">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:mcalpha">
                  <scalar dataType="xsd:string">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.2500</scalar>
               </parameter>
               <parameter dictRef="v:hfscreen">
                  <scalar dataType="xsd:double">0.2000</scalar>
               </parameter>
               <parameter dictRef="v:hfscreenc">
                  <scalar dataType="xsd:string">0.2000</scalar>
               </parameter>
               <parameter dictRef="v:hfrcut">
                  <scalar dataType="xsd:string">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:aldax">
                  <scalar dataType="xsd:string">0.7500</scalar>
               </parameter>
               <parameter dictRef="v:aggax">
                  <scalar dataType="xsd:double">0.7500</scalar>
               </parameter>
               <parameter dictRef="v:aggac">
                  <scalar dataType="xsd:string">1.0000</scalar>
               </parameter>
               <parameter dictRef="v:encutfock">
                  <scalar dataType="xsd:string">-1.0</scalar>
               </parameter>
               <parameter dictRef="v:nbandsgwlow">
                  <scalar dataType="xsd:string">1</scalar>
               </parameter>
               <parameter dictRef="v:nblock_fock">
                  <scalar dataType="xsd:string">64</scalar>
               </parameter>
               <parameter dictRef="v:lepsilon">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lrpa">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lnabla">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:lvel">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:linterfast">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:kinter">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:cshift">
                  <scalar dataType="xsd:string">0.1000</scalar>
               </parameter>
               <parameter dictRef="v:omegamax">
                  <scalar dataType="xsd:string">-1.0</scalar>
               </parameter>
               <parameter dictRef="v:deg_threshold">
                  <scalar dataType="xsd:string">0.2000000E-02</scalar>
               </parameter>
               <parameter dictRef="v:rtime">
                  <scalar dataType="xsd:string">-0.100</scalar>
               </parameter>
               <parameter dictRef="v:(wplasmai">
                  <scalar dataType="xsd:string">0.000</scalar>
               </parameter>
               <parameter dictRef="v:dfield">
                  <scalar dataType="xsd:string">0.0000000</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 Sn_d 06Sep2000|PAW_PBE Br 06Sep2000|PAW_PBE Cs_sv 08Apr2002</array>
                  <array dictRef="cc:atomType" size="3">Sn Br Cs</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">118.710 79.904 132.900</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">14.000 7.000 9.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">2 6 2</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="16">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1824">-23.1167 -23.1167 -23.1149 -23.1149 -23.1142 -23.1142 -23.1142 -23.1142 -22.1184 -22.1184 -22.1158 -22.1158 -22.0625 -22.0625 -22.0607 -22.0607 -22.0589 -22.0589 -22.0568 -22.0568 -22.0387 -22.0387 -22.0383 -22.0383 -15.3177 -15.3177 -14.9489 -14.9489 -14.9381 -14.9381 -14.9351 -14.9351 -14.7318 -14.7318 -14.7280 -14.7280 -9.0120 -9.0120 -9.0093 -9.0093 -7.4358 -7.4358 -7.4251 -7.4251 -7.4218 -7.4218 -7.3992 -7.3992 -6.9984 -6.9984 -4.7900 -4.7900 -3.9831 -3.9831 -3.9724 -3.9724 -3.9488 -3.9488 -3.6967 -3.6967 -2.7428 -2.7428 -2.0987 -2.0987 -2.0064 -2.0064 -1.9716 -1.9716 -1.8348 -1.8348 -1.8334 -1.8334 -1.7342 -1.7342 -1.7162 -1.7162 -1.7153 -1.7153 -1.4798 -1.4798 -1.2993 -1.2993 -1.2981 -1.2981 -1.1043 -1.1043 0.8953 0.8953 3.3253 3.3253 3.7119 3.7119 4.8349 4.8349 5.8498 5.8498 5.9056 5.9056 6.5084 6.5084 6.5227 6.5227 6.5796 6.5796 6.6514 6.6514 7.0955 7.0955 7.4198 7.4198 7.4829 7.4829 7.7103 7.7104 -23.1154 -23.1154 -23.1154 -23.1154 -23.1146 -23.1146 -23.1146 -23.1146 -22.1170 -22.1170 -22.1170 -22.1170 -22.0598 -22.0598 -22.0598 -22.0598 -22.0597 -22.0597 -22.0597 -22.0597 -22.0386 -22.0386 -22.0386 -22.0386 -15.1936 -15.1936 -15.1936 -15.1936 -14.8347 -14.8347 -14.8347 -14.8347 -14.7774 -14.7774 -14.7774 -14.7774 -9.0052 -9.0052 -9.0052 -9.0052 -7.4203 -7.4203 -7.4203 -7.4203 -7.4001 -7.4001 -7.4001 -7.4001 -6.2832 -6.2832 -6.2832 -6.2832 -3.8630 -3.8630 -3.8630 -3.8630 -3.2020 -3.2020 -3.2020 -3.2020 -2.6019 -2.6019 -2.6019 -2.6019 -2.0093 -2.0093 -2.0092 -2.0092 -1.8402 -1.8402 -1.8402 -1.8402 -1.7628 -1.7628 -1.7628 -1.7628 -1.5501 -1.5501 -1.5501 -1.5501 -1.3281 -1.3281 -1.3281 -1.3281 -0.8727 -0.8727 -0.8727 -0.8727 5.3474 5.3474 5.3474 5.3474 5.6277 5.6277 5.6277 5.6277 6.0702 6.0702 6.0702 6.0702 6.6430 6.6430 6.6430 6.6430 6.7228 6.7228 6.7228 6.7228 6.8249 6.8249 6.8249 6.8249 7.2449 7.2449 -23.1154 -23.1154 -23.1154 -23.1154 -23.1146 -23.1146 -23.1146 -23.1146 -22.1170 -22.1170 -22.1170 -22.1170 -22.0598 -22.0598 -22.0598 -22.0598 -22.0597 -22.0597 -22.0597 -22.0597 -22.0386 -22.0386 -22.0386 -22.0386 -15.1936 -15.1936 -15.1936 -15.1936 -14.8347 -14.8347 -14.8347 -14.8347 -14.7774 -14.7774 -14.7774 -14.7774 -9.0052 -9.0052 -9.0052 -9.0052 -7.4203 -7.4203 -7.4203 -7.4203 -7.4001 -7.4001 -7.4001 -7.4001 -6.2832 -6.2832 -6.2832 -6.2832 -3.8630 -3.8630 -3.8630 -3.8630 -3.2020 -3.2020 -3.2020 -3.2020 -2.6019 -2.6019 -2.6019 -2.6019 -2.0093 -2.0093 -2.0092 -2.0092 -1.8402 -1.8402 -1.8402 -1.8402 -1.7628 -1.7628 -1.7628 -1.7628 -1.5501 -1.5501 -1.5501 -1.5501 -1.3281 -1.3281 -1.3281 -1.3281 -0.8727 -0.8727 -0.8727 -0.8727 5.3474 5.3474 5.3474 5.3474 5.6277 5.6277 5.6277 5.6277 6.0702 6.0702 6.0702 6.0702 6.6430 6.6430 6.6430 6.6430 6.7228 6.7228 6.7228 6.7228 6.8249 6.8249 6.8249 6.8249 7.2449 7.2449 -23.1159 -23.1159 -23.1159 -23.1159 -23.1141 -23.1141 -23.1141 -23.1141 -22.1169 -22.1169 -22.1169 -22.1169 -22.0614 -22.0614 -22.0614 -22.0614 -22.0581 -22.0581 -22.0581 -22.0581 -22.0386 -22.0386 -22.0386 -22.0386 -15.1481 -15.1481 -15.1481 -15.1481 -14.9356 -14.9356 -14.9356 -14.9356 -14.7280 -14.7280 -14.7280 -14.7280 -8.9998 -8.9998 -8.9998 -8.9998 -7.4054 -7.4054 -7.4054 -7.4054 -7.3947 -7.3947 -7.3947 -7.3947 -6.1130 -6.1130 -6.1130 -6.1130 -3.8991 -3.8991 -3.8991 -3.8991 -3.8256 -3.8256 -3.8256 -3.8256 -2.3980 -2.3980 -2.3980 -2.3980 -2.0119 -2.0119 -2.0119 -2.0119 -1.8086 -1.8086 -1.8086 -1.8086 -1.6815 -1.6815 -1.6815 -1.6815 -1.6570 -1.6570 -1.6570 -1.6570 -1.4813 -1.4813 -1.4813 -1.4813 -0.2728 -0.2728 -0.2728 -0.2728 3.9820 3.9820 3.9820 3.9820 6.3434 6.3434 6.3434 6.3434 6.9064 6.9064 6.9064 6.9064 6.9639 6.9639 6.9639 6.9639 6.9883 6.9883 6.9883 6.9883 7.1282 7.1282 7.1283 7.1284 7.4319 7.4319 -23.1167 -23.1167 -23.1142 -23.1142 -23.1141 -23.1141 -23.1133 -23.1133 -22.1176 -22.1176 -22.1151 -22.1151 -22.0625 -22.0625 -22.0588 -22.0588 -22.0569 -22.0569 -22.0568 -22.0568 -22.0389 -22.0389 -22.0385 -22.0385 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0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00 0.0000E+00</array>
                  </module>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="10">1 2 3 4 5 6 7 8 9 10</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="10">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="10">-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="10">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="10">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">-40.50578137</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-40.50578137</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-40.50578137</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">2.1894</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.231827069</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.231827069</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">5.829072844</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Sn"
                        id="a1"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.91454"
                        zFract="0.50000061"/>
                  <atom elementType="Sn"
                        id="a2"
                        x3="4.11591"
                        xFract="0.49999957"
                        y3="4.11591"
                        yFract="0.49999957"
                        z3="2.91454"
                        zFract="0.50000061"/>
                  <atom elementType="Br"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Br"
                        id="a4"
                        x3="4.11591"
                        xFract="0.49999957"
                        y3="4.11591"
                        yFract="0.49999957"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Br"
                        id="a5"
                        x3="1.90645"
                        xFract="0.231595"
                        y3="2.20946"
                        yFract="0.26840457"
                        z3="2.91454"
                        zFract="0.50000061"/>
                  <atom elementType="Br"
                        id="a6"
                        x3="6.32538"
                        xFract="0.76840535"
                        y3="6.02236"
                        yFract="0.73159457"
                        z3="2.91454"
                        zFract="0.50000061"/>
                  <atom elementType="Br"
                        id="a7"
                        x3="6.02236"
                        xFract="0.73159457"
                        y3="1.90645"
                        yFract="0.231595"
                        z3="2.91454"
                        zFract="0.50000061"/>
                  <atom elementType="Br"
                        id="a8"
                        x3="2.20946"
                        xFract="0.26840457"
                        y3="6.32538"
                        yFract="0.76840535"
                        z3="2.91454"
                        zFract="0.50000061"/>
                  <atom elementType="Cs"
                        id="a9"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.11591"
                        yFract="0.49999957"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cs"
                        id="a10"
                        x3="4.11591"
                        xFract="0.49999957"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
               </atomArray>
               <bondArray/>
               <formula concise="Br6Cs2Sn2">
                  <atomArray count="6 2 2" elementType="Br Cs Sn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">982.6548999999999</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
