<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        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">5.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">24Jun15 (build Jun 13 2018 12:02:29) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">Pirineus</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2018-07-20T16:34:40.000+01:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.6195</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.61949999995001</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.1083</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cd"
                        id="a1"
                        x3="2.10322897"
                        xFract="0.11111"
                        y3="1.21429981"
                        yFract="0.11111"
                        z3="0.84396818"
                        zFract="0.02713"/>
                  <atom elementType="Cd"
                        id="a2"
                        x3="4.20652097"
                        xFract="0.22222333"
                        y3="2.42863601"
                        yFract="0.22222333"
                        z3="4.26525901"
                        zFract="0.13711"/>
                  <atom elementType="Cd"
                        id="a3"
                        x3="2.1361128"
                        xFract="0.1141652"
                        y3="1.20447689"
                        yFract="0.11021119"
                        z3="7.62691306"
                        zFract="0.24517293"/>
                  <atom elementType="Cd"
                        id="a4"
                        x3="4.21997367"
                        xFract="0.22845788"
                        y3="2.31566438"
                        yFract="0.21188628"
                        z3="11.1036252"
                        zFract="0.35693449"/>
                  <atom elementType="Cd"
                        id="a5"
                        x3="4.20647895"
                        xFract="0.11111"
                        y3="4.85723564"
                        yFract="0.44444333"
                        z3="0.84396818"
                        zFract="0.02713"/>
                  <atom elementType="Cd"
                        id="a6"
                        x3="6.30977101"
                        xFract="0.22222333"
                        y3="6.07157195"
                        yFract="0.55555667"
                        z3="4.26525901"
                        zFract="0.13711"/>
                  <atom elementType="Cd"
                        id="a7"
                        x3="4.20383737"
                        xFract="0.11341359"
                        y3="4.80230931"
                        yFract="0.4394175"
                        z3="7.69617662"
                        zFract="0.24739946"/>
                  <atom elementType="Cd"
                        id="a8"
                        x3="6.32404733"
                        xFract="0.22021535"
                        y3="6.1401889"
                        yFract="0.56183521"
                        z3="10.47431984"
                        zFract="0.33670499"/>
                  <atom elementType="Cd"
                        id="a9"
                        x3="6.30972899"
                        xFract="0.11111"
                        y3="8.50017157"
                        yFract="0.77777667"
                        z3="0.84396818"
                        zFract="0.02713"/>
                  <atom elementType="Cd"
                        id="a10"
                        x3="8.41302099"
                        xFract="0.22222333"
                        y3="9.71450777"
                        yFract="0.88889"
                        z3="4.26525901"
                        zFract="0.13711"/>
                  <atom elementType="Cd"
                        id="a11"
                        x3="6.22789204"
                        xFract="0.10259542"
                        y3="8.54453422"
                        yFract="0.78183591"
                        z3="7.82386468"
                        zFract="0.25150409"/>
                  <atom elementType="Cd"
                        id="a12"
                        x3="8.44372266"
                        xFract="0.23316157"
                        y3="9.52860078"
                        yFract="0.87187927"
                        z3="10.40113352"
                        zFract="0.33435236"/>
                  <atom elementType="Cd"
                        id="a13"
                        x3="6.30972893"
                        xFract="0.44444333"
                        y3="1.21429981"
                        yFract="0.11111"
                        z3="0.84396818"
                        zFract="0.02713"/>
                  <atom elementType="Cd"
                        id="a14"
                        x3="8.41302105"
                        xFract="0.55555667"
                        y3="2.42863601"
                        yFract="0.22222333"
                        z3="4.26525901"
                        zFract="0.13711"/>
                  <atom elementType="Cd"
                        id="a15"
                        x3="6.33449703"
                        xFract="0.44687981"
                        y3="1.20394378"
                        yFract="0.11016241"
                        z3="7.64714994"
                        zFract="0.24582346"/>
                  <atom elementType="Cd"
                        id="a16"
                        x3="8.49564357"
                        xFract="0.56793274"
                        y3="2.30123104"
                        yFract="0.21056561"
                        z3="11.12466187"
                        zFract="0.35761073"/>
                  <atom elementType="Cd"
                        id="a17"
                        x3="8.4129789"
                        xFract="0.44444333"
                        y3="4.85723564"
                        yFract="0.44444333"
                        z3="0.84396818"
                        zFract="0.02713"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.5162711"
                        xFract="0.55555667"
                        y3="6.07157195"
                        yFract="0.55555667"
                        z3="4.26525901"
                        zFract="0.13711"/>
                  <atom elementType="Cd"
                        id="a19"
                        x3="8.37585221"
                        xFract="0.44510095"
                        y3="4.77855631"
                        yFract="0.43724407"
                        z3="7.70717527"
                        zFract="0.24775302"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="10.50621468"
                        xFract="0.54913039"
                        y3="6.19461688"
                        yFract="0.56681544"
                        z3="10.18488013"
                        zFract="0.32740073"/>
                  <atom elementType="Cd"
                        id="a21"
                        x3="10.51622895"
                        xFract="0.44444333"
                        y3="8.50017157"
                        yFract="0.77777667"
                        z3="0.84396818"
                        zFract="0.02713"/>
                  <atom elementType="Cd"
                        id="a22"
                        x3="12.61952107"
                        xFract="0.55555667"
                        y3="9.71450777"
                        yFract="0.88889"
                        z3="4.26525901"
                        zFract="0.13711"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.61891363"
                        xFract="0.44648692"
                        y3="8.63335865"
                        yFract="0.78996346"
                        z3="7.74556136"
                        zFract="0.24898697"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.31141198"
                        xFract="0.59403858"
                        y3="10.07177519"
                        yFract="0.92158043"
                        z3="11.52953951"
                        zFract="0.37062583"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="10.51622901"
                        xFract="0.77777667"
                        y3="1.21429981"
                        yFract="0.11111"
                        z3="0.84396818"
                        zFract="0.02713"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="12.61952101"
                        xFract="0.88889"
                        y3="2.42863601"
                        yFract="0.22222333"
                        z3="4.26525901"
                        zFract="0.13711"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="10.45390048"
                        xFract="0.77618914"
                        y3="1.14104325"
                        yFract="0.10440693"
                        z3="7.81190105"
                        zFract="0.25111951"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="12.51483305"
                        xFract="0.88597212"
                        y3="2.31108904"
                        yFract="0.21146763"
                        z3="10.36935173"
                        zFract="0.33333071"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="12.61947899"
                        xFract="0.77777667"
                        y3="4.85723564"
                        yFract="0.44444333"
                        z3="0.84396818"
                        zFract="0.02713"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="14.72277105"
                        xFract="0.88889"
                        y3="6.07157195"
                        yFract="0.55555667"
                        z3="4.26525901"
                        zFract="0.13711"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="12.67170599"
                        xFract="0.78277167"
                        y3="4.83851666"
                        yFract="0.44273052"
                        z3="7.62486924"
                        zFract="0.24510723"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="14.71505568"
                        xFract="0.8841239"
                        y3="6.16238411"
                        yFract="0.5638661"
                        z3="10.45514002"
                        zFract="0.33608844"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="14.72272903"
                        xFract="0.77777667"
                        y3="8.50017157"
                        yFract="0.77777667"
                        z3="0.84396818"
                        zFract="0.02713"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="16.82602103"
                        xFract="0.88889"
                        y3="9.71450777"
                        yFract="0.88889"
                        z3="4.26525901"
                        zFract="0.13711"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="14.76942478"
                        xFract="0.7765807"
                        y3="8.60719203"
                        yFract="0.78756918"
                        z3="7.92098386"
                        zFract="0.25462606"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="16.89270544"
                        xFract="0.92481651"
                        y3="9.04474072"
                        yFract="0.82760545"
                        z3="13.74914191"
                        zFract="0.44197664"/>
                  <atom elementType="S"
                        id="a37"
                        x3="4.20652097"
                        xFract="0.22222333"
                        y3="2.42863601"
                        yFract="0.22222333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a38"
                        x3="2.10322897"
                        xFract="0.11111"
                        y3="1.21429981"
                        yFract="0.11111"
                        z3="3.42160192"
                        zFract="0.10999"/>
                  <atom elementType="S"
                        id="a39"
                        x3="4.22408081"
                        xFract="0.22425416"
                        y3="2.41466146"
                        yFract="0.22094464"
                        z3="6.89357222"
                        zFract="0.22159913"/>
                  <atom elementType="S"
                        id="a40"
                        x3="2.1174401"
                        xFract="0.11482494"
                        y3="1.15771449"
                        yFract="0.10593237"
                        z3="10.29744396"
                        zFract="0.33101918"/>
                  <atom elementType="S"
                        id="a41"
                        x3="6.30977101"
                        xFract="0.22222333"
                        y3="6.07157195"
                        yFract="0.55555667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a42"
                        x3="4.20647895"
                        xFract="0.11111"
                        y3="4.85723564"
                        yFract="0.44444333"
                        z3="3.42160192"
                        zFract="0.10999"/>
                  <atom elementType="S"
                        id="a43"
                        x3="6.30782717"
                        xFract="0.22146546"
                        y3="6.08477034"
                        yFract="0.55676434"
                        z3="7.02696834"
                        zFract="0.22588725"/>
                  <atom elementType="S"
                        id="a44"
                        x3="4.20525012"
                        xFract="0.11519948"
                        y3="4.76572097"
                        yFract="0.43606962"
                        z3="10.41517176"
                        zFract="0.33480363"/>
                  <atom elementType="S"
                        id="a45"
                        x3="8.41302099"
                        xFract="0.22222333"
                        y3="9.71450777"
                        yFract="0.88889"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a46"
                        x3="6.30972899"
                        xFract="0.11111"
                        y3="8.50017157"
                        yFract="0.77777667"
                        z3="3.42160192"
                        zFract="0.10999"/>
                  <atom elementType="S"
                        id="a47"
                        x3="8.4089324"
                        xFract="0.22406106"
                        y3="9.66725773"
                        yFract="0.88456656"
                        z3="6.9951461"
                        zFract="0.2248643"/>
                  <atom elementType="S"
                        id="a48"
                        x3="6.17374675"
                        xFract="0.09624874"
                        y3="8.58947512"
                        yFract="0.78594806"
                        z3="10.45741995"
                        zFract="0.33616173"/>
                  <atom elementType="S"
                        id="a49"
                        x3="8.41302105"
                        xFract="0.55555667"
                        y3="2.42863601"
                        yFract="0.22222333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a50"
                        x3="6.30972893"
                        xFract="0.44444333"
                        y3="1.21429981"
                        yFract="0.11111"
                        z3="3.42160192"
                        zFract="0.10999"/>
                  <atom elementType="S"
                        id="a51"
                        x3="8.44287324"
                        xFract="0.55869728"
                        y3="2.41169527"
                        yFract="0.22067323"
                        z3="6.89813954"
                        zFract="0.22174595"/>
                  <atom elementType="S"
                        id="a52"
                        x3="6.33310964"
                        xFract="0.444467"
                        y3="1.25427903"
                        yFract="0.11476815"
                        z3="10.22950281"
                        zFract="0.32883516"/>
                  <atom elementType="S"
                        id="a53"
                        x3="10.5162711"
                        xFract="0.55555667"
                        y3="6.07157195"
                        yFract="0.55555667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a54"
                        x3="8.4129789"
                        xFract="0.44444333"
                        y3="4.85723564"
                        yFract="0.44444333"
                        z3="3.42160192"
                        zFract="0.10999"/>
                  <atom elementType="S"
                        id="a55"
                        x3="10.50885215"
                        xFract="0.55332124"
                        y3="6.10758313"
                        yFract="0.55885174"
                        z3="7.13445374"
                        zFract="0.22934245"/>
                  <atom elementType="S"
                        id="a56"
                        x3="8.43825072"
                        xFract="0.4498268"
                        y3="4.78333788"
                        yFract="0.43768159"
                        z3="10.46140927"
                        zFract="0.33628997"/>
                  <atom elementType="S"
                        id="a57"
                        x3="12.61952107"
                        xFract="0.55555667"
                        y3="9.71450777"
                        yFract="0.88889"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a58"
                        x3="10.51622895"
                        xFract="0.44444333"
                        y3="8.50017157"
                        yFract="0.77777667"
                        z3="3.42160192"
                        zFract="0.10999"/>
                  <atom elementType="S"
                        id="a59"
                        x3="12.70806649"
                        xFract="0.56267852"
                        y3="9.71220627"
                        yFract="0.88867941"
                        z3="6.90021353"
                        zFract="0.22181262"/>
                  <atom elementType="S"
                        id="a60"
                        x3="10.77044852"
                        xFract="0.45762363"
                        y3="8.65240286"
                        yFract="0.79170603"
                        z3="10.44614008"
                        zFract="0.33579913"/>
                  <atom elementType="S"
                        id="a61"
                        x3="12.61952101"
                        xFract="0.88889"
                        y3="2.42863601"
                        yFract="0.22222333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a62"
                        x3="10.51622901"
                        xFract="0.77777667"
                        y3="1.21429981"
                        yFract="0.11111"
                        z3="3.42160192"
                        zFract="0.10999"/>
                  <atom elementType="S"
                        id="a63"
                        x3="12.59110676"
                        xFract="0.88799454"
                        y3="2.3989937"
                        yFract="0.21951102"
                        z3="6.98702901"
                        zFract="0.22460337"/>
                  <atom elementType="S"
                        id="a64"
                        x3="10.4958029"
                        xFract="0.78754341"
                        y3="0.9654431"
                        yFract="0.08833929"
                        z3="10.38105094"
                        zFract="0.33370679"/>
                  <atom elementType="S"
                        id="a65"
                        x3="14.72277105"
                        xFract="0.88889"
                        y3="6.07157195"
                        yFract="0.55555667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a66"
                        x3="12.61947899"
                        xFract="0.77777667"
                        y3="4.85723564"
                        yFract="0.44444333"
                        z3="3.42160192"
                        zFract="0.10999"/>
                  <atom elementType="S"
                        id="a67"
                        x3="14.75278369"
                        xFract="0.88831873"
                        y3="6.13604197"
                        yFract="0.56145576"
                        z3="7.03598539"
                        zFract="0.22617711"/>
                  <atom elementType="S"
                        id="a68"
                        x3="12.61789146"
                        xFract="0.77944987"
                        y3="4.81791379"
                        yFract="0.44084533"
                        z3="10.44653266"
                        zFract="0.33581175"/>
                  <atom elementType="S"
                        id="a69"
                        x3="16.82602103"
                        xFract="0.88889"
                        y3="9.71450777"
                        yFract="0.88889"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a70"
                        x3="14.72272903"
                        xFract="0.77777667"
                        y3="8.50017157"
                        yFract="0.77777667"
                        z3="3.42160192"
                        zFract="0.10999"/>
                  <atom elementType="S"
                        id="a71"
                        x3="16.82032711"
                        xFract="0.88874343"
                        y3="9.70784929"
                        yFract="0.88828074"
                        z3="6.88729581"
                        zFract="0.22139737"/>
                  <atom elementType="S"
                        id="a72"
                        x3="15.02546661"
                        xFract="0.79833319"
                        y3="8.57521193"
                        yFract="0.78464296"
                        z3="10.49951383"
                        zFract="0.33751487"/>
                  <atom elementType="S"
                        id="a73"
                        x3="8.55512905"
                        xFract="0.6503282"
                        y3="0.60329466"
                        yFract="0.05520224"
                        z3="13.24337757"
                        zFract="0.42571846"/>
                  <atom elementType="O"
                        id="a74"
                        x3="4.26653426"
                        xFract="0.27370844"
                        y3="1.40724037"
                        yFract="0.12876431"
                        z3="13.1885747"
                        zFract="0.42395678"/>
                  <atom elementType="O"
                        id="a75"
                        x3="5.51925726"
                        xFract="0.31614072"
                        y3="2.6495518"
                        yFract="0.24243741"
                        z3="14.62748632"
                        zFract="0.47021169"/>
                  <atom elementType="N"
                        id="a76"
                        x3="11.96760786"
                        xFract="0.48498294"
                        y3="10.1279344"
                        yFract="0.92671907"
                        z3="13.51589312"
                        zFract="0.43447868"/>
                  <atom elementType="C"
                        id="a77"
                        x3="5.96110142"
                        xFract="0.45939369"
                        y3="0.28368004"
                        yFract="0.02595709"
                        z3="14.47352543"
                        zFract="0.4652625"/>
                  <atom elementType="C"
                        id="a78"
                        x3="7.46147277"
                        xFract="0.56708603"
                        y3="0.52850173"
                        yFract="0.04835859"
                        z3="14.70727599"
                        zFract="0.47277659"/>
                  <atom elementType="C"
                        id="a79"
                        x3="5.20585179"
                        xFract="0.33979271"
                        y3="1.58974151"
                        yFract="0.1454634"
                        z3="14.06003608"
                        zFract="0.45197057"/>
                  <atom elementType="H"
                        id="a80"
                        x3="5.53666094"
                        xFract="0.43744227"
                        y3="0.02833326"
                        yFract="0.00259253"
                        z3="15.4657427"
                        zFract="0.49715808"/>
                  <atom elementType="H"
                        id="a81"
                        x3="14.18438842"
                        xFract="0.63675804"
                        y3="10.65006922"
                        yFract="0.97449508"
                        z3="15.33749469"
                        zFract="0.49303545"/>
                  <atom elementType="H"
                        id="a82"
                        x3="7.53460359"
                        xFract="0.52974535"
                        y3="1.47134624"
                        yFract="0.13463008"
                        z3="15.26435939"
                        zFract="0.49068446"/>
                  <atom elementType="H"
                        id="a83"
                        x3="11.04133202"
                        xFract="0.40205953"
                        y3="10.33608556"
                        yFract="0.94576517"
                        z3="13.12170492"
                        zFract="0.4218072"/>
                  <atom elementType="H"
                        id="a84"
                        x3="11.94428873"
                        xFract="0.52510675"
                        y3="9.21053368"
                        yFract="0.84277572"
                        z3="13.96105414"
                        zFract="0.44878872"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a38" order="S"/>
                  <bond atomRefs2="a1 a37" order="S"/>
                  <bond atomRefs2="a2 a39" order="S"/>
                  <bond atomRefs2="a2 a38" order="S"/>
                  <bond atomRefs2="a2 a50" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a3 a40" order="S"/>
                  <bond atomRefs2="a3 a39" order="S"/>
                  <bond atomRefs2="a4 a44" order="S"/>
                  <bond atomRefs2="a4 a40" order="S"/>
                  <bond atomRefs2="a4 a52" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a5 a42" order="S"/>
                  <bond atomRefs2="a5 a41" order="S"/>
                  <bond atomRefs2="a5 a37" order="S"/>
                  <bond atomRefs2="a6 a43" order="S"/>
                  <bond atomRefs2="a6 a42" order="S"/>
                  <bond atomRefs2="a6 a54" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a7 a44" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a39" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a8 a56" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a9 a41" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a46" order="S"/>
                  <bond atomRefs2="a10 a58" order="S"/>
                  <bond atomRefs2="a11 a48" order="S"/>
                  <bond atomRefs2="a11 a47" order="S"/>
                  <bond atomRefs2="a11 a43" order="S"/>
                  <bond atomRefs2="a12 a60" order="S"/>
                  <bond atomRefs2="a12 a48" order="S"/>
                  <bond atomRefs2="a13 a50" order="S"/>
                  <bond atomRefs2="a13 a49" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a62" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a15 a52" order="S"/>
                  <bond atomRefs2="a15 a39" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a64" order="S"/>
                  <bond atomRefs2="a17 a54" order="S"/>
                  <bond atomRefs2="a17 a53" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a49" order="S"/>
                  <bond atomRefs2="a18 a55" order="S"/>
                  <bond atomRefs2="a18 a54" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a18 a58" order="S"/>
                  <bond atomRefs2="a19 a56" order="S"/>
                  <bond atomRefs2="a19 a55" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a19 a51" order="S"/>
                  <bond atomRefs2="a20 a68" order="S"/>
                  <bond atomRefs2="a20 a56" order="S"/>
                  <bond atomRefs2="a20 a60" order="S"/>
                  <bond atomRefs2="a21 a58" order="S"/>
                  <bond atomRefs2="a21 a57" order="S"/>
                  <bond atomRefs2="a21 a45" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a22 a58" order="S"/>
                  <bond atomRefs2="a22 a70" order="S"/>
                  <bond atomRefs2="a23 a60" order="S"/>
                  <bond atomRefs2="a23 a55" order="S"/>
                  <bond atomRefs2="a23 a47" order="S"/>
                  <bond atomRefs2="a23 a59" order="S"/>
                  <bond atomRefs2="a24 a72" order="S"/>
                  <bond atomRefs2="a24 a76" order="S"/>
                  <bond atomRefs2="a25 a62" order="S"/>
                  <bond atomRefs2="a25 a61" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a26 a62" order="S"/>
                  <bond atomRefs2="a26 a66" order="S"/>
                  <bond atomRefs2="a27 a63" order="S"/>
                  <bond atomRefs2="a27 a64" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a28 a68" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a29 a66" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a53" order="S"/>
                  <bond atomRefs2="a29 a61" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a31 a68" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a31 a67" order="S"/>
                  <bond atomRefs2="a32 a68" order="S"/>
                  <bond atomRefs2="a32 a72" order="S"/>
                  <bond atomRefs2="a33 a70" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a57" order="S"/>
                  <bond atomRefs2="a33 a65" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a34 a70" order="S"/>
                  <bond atomRefs2="a35 a67" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a35 a59" order="S"/>
                  <bond atomRefs2="a35 a71" order="S"/>
                  <bond atomRefs2="a73 a78" order="S"/>
                  <bond atomRefs2="a74 a79" order="S"/>
                  <bond atomRefs2="a75 a79" order="S"/>
                  <bond atomRefs2="a76 a83" order="S"/>
                  <bond atomRefs2="a76 a84" order="S"/>
                  <bond atomRefs2="a77 a79" order="S"/>
                  <bond atomRefs2="a77 a78" order="S"/>
                  <bond atomRefs2="a77 a80" order="S"/>
                  <bond atomRefs2="a78 a82" order="S"/>
               </bondArray>
               <formula concise="C 3 H 5 Cd 36 N 1 O 2 S 37">
                  <atomArray count="3 5 36 1 2 37" elementType="C H Cd N O S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5315.238599999986</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C3H2O2S.36Cd.H2N.36S.H/c4-3(5)1-2-6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:77,78,79,74,75,73;1;2;3;5;6;7;8;9;10;11;12;13;14;15;17;18;19;20;21;22;23;25;26;27;28;29;30;31;32;33;34;35;36;4;16;24;76;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;81/E:(4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.3,2.3,3.3,4-1,5.1,6-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:84CdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdS3SSSS3S3SS3SS3S3S3S3S3SS3S3SSSSSS3S3SS3S3S3SSS3SS1SSS3SOO1NC3C3C3HH0HHH/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s1s5s13;s1s2;s2s3s7s15;s3s4;s5s9s17;s2s5s6;s6s7s11s19;s4s7s8;s9s21;s6s9s10;s10s11s23;s8s11s12;s13s17s25;s2s13s14;s14s15s19s27;s4s15s16;s17s21s29;s6s14s17s18;s18s19s23s31;s8s16s19s20;s21s33;s10s18s21s22;s22s23s35;s12s20s23;s25s29;s14s25s26;s26s27s31;s16s27s28;s29s33;s18s26s29s30;s30s31s35;s20s28s31s32;s33;s22s30s33s34;s34s35;s24s32s35;s16;s4;;s24;;s73s77;s74s75s77;s77;;s78;s76;s76;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </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">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">691.0000</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">0.05</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: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="6">PAW_PBE Cd 06Sep2000|PAW_PBE S 17Jan2003|PAW_PBE O 08Apr2002|PAW_PBE N 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="6">Cd S O N C H</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="6">112.411 32.066 16.000 14.001 12.011 1.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="6">12.000 6.000 6.000 5.000 4.000 1.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="6">36 37 2 1 3 5</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">12.619500000 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">6.309750000 10.928807583 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 31.108300000</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 3 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="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2070">-23.5276 -21.3710 -20.4106 -16.7663 -14.4746 -14.3666 -14.2361 -14.1939 -14.1318 -13.9816 -13.9268 -13.9006 -13.8159 -13.7947 -13.7560 -13.7513 -13.7441 -13.7262 -13.7087 -13.6462 -13.6307 -13.6009 -13.5438 -13.0599 -12.9251 -12.8958 -12.8890 -12.8480 -12.8304 -12.8185 -12.7499 -12.7439 -12.3201 -11.5179 -11.3414 -11.3385 -11.3369 -11.3335 -11.3323 -11.3292 -11.2486 -11.2480 -10.8449 -10.3102 -10.1786 -10.1549 -10.0725 -10.0596 -10.0278 -10.0206 -9.9778 -9.9642 -9.9541 -9.9431 -9.9252 -9.9166 -9.9106 -9.9042 -9.8996 -9.8838 -9.8578 -9.8497 -9.8439 -9.8435 -9.8336 -9.8210 -9.7828 -9.7650 -9.7392 -9.7235 -9.7200 -9.6908 -9.6718 -9.6698 -9.6575 -9.6492 -9.6428 -9.6343 -9.6236 -9.6221 -9.6142 -9.5941 -9.5839 -9.5781 -9.5646 -9.5610 -9.5519 -9.5377 -9.5303 -9.5259 -9.5210 -9.5118 -9.5038 -9.4982 -9.4897 -9.4726 -9.4668 -9.4550 -9.4501 -9.4309 -9.4249 -9.4146 -9.4102 -9.4005 -9.3906 -9.3792 -9.3743 -9.3625 -9.3571 -9.3390 -9.3194 -9.3019 -9.2919 -9.2791 -9.2697 -9.2506 -9.2363 -9.2221 -9.2067 -9.1987 -9.1924 -9.1688 -9.1509 -9.1430 -9.0868 -9.0799 -9.0540 -9.0468 -9.0022 -9.0013 -8.9139 -8.9060 -8.8334 -8.8179 -8.7951 -8.7943 -8.7892 -8.7743 -8.7712 -8.7587 -8.7541 -8.7404 -8.7344 -8.7223 -8.7211 -8.7153 -8.7019 -8.6946 -8.6768 -8.6722 -8.6701 -8.6621 -8.6556 -8.6505 -8.6326 -8.6238 -8.6213 -8.6066 -8.6024 -8.5936 -8.5910 -8.5858 -8.5767 -8.5702 -8.5470 -8.5446 -8.5360 -8.5282 -8.5246 -8.5202 -8.5157 -8.4861 -8.4808 -8.4699 -8.4467 -8.4454 -8.4249 -8.4121 -8.4059 -8.2452 -8.2443 -7.7287 -7.7138 -7.7131 -7.6255 -7.6243 -7.6200 -7.6167 -7.6126 -7.6090 -7.6065 -7.6056 -7.6021 -7.5982 -7.5926 -7.5909 -7.5888 -7.5867 -7.5036 -7.4780 -7.4758 -7.4675 -7.4660 -7.4609 -7.4593 -7.4571 -7.4493 -7.4412 -7.4402 -7.4155 -7.4110 -7.4033 -7.3976 -7.3861 -7.3805 -7.3782 -7.3704 -7.3689 -7.3645 -7.2599 -7.2360 -7.2311 -7.2274 -7.2237 -7.2197 -7.2160 -7.2054 -7.0013 -6.9454 -6.9452 -6.3367 -5.9895 -5.9605 -5.7888 -5.7711 -5.7332 -5.6130 -5.5961 -5.5527 -5.4848 -5.4747 -5.4558 -5.4282 -5.3706 -5.2818 -5.2280 -5.1101 -5.0302 -4.9829 -4.9091 -4.9026 -4.7380 -4.6949 -4.6575 -4.6494 -4.6374 -4.6184 -4.4776 -4.2638 -4.2441 -4.1159 -4.0994 -4.0866 -3.9839 -3.9354 -3.9270 -3.9080 -3.8755 -3.8569 -3.8443 -3.8190 -3.7829 -3.7058 -3.6761 -3.5984 -3.5380 -3.5349 -3.5253 -3.5162 -3.5033 -3.4772 -3.4517 -3.4339 -3.4295 -3.4165 -3.3686 -3.3520 -3.2554 -3.2367 -3.1974 -3.1542 -3.1298 -3.1157 -3.1066 -3.0638 -3.0288 -3.0061 -2.9839 -2.9623 -2.9399 -2.9179 -2.8780 -2.8404 -2.8141 -2.7520 -2.6685 -2.5862 -2.5636 -2.3186 -2.3149 -2.2642 -2.2491 -2.2368 -2.2147 -2.1993 -2.1837 -2.1682 -2.1433 -2.1383 -2.1284 -2.1023 -2.0932 -2.0687 -2.0650 -2.0516 -2.0507 -1.9882 -1.5545 -1.5522 -1.1902 -0.8627 -0.8618 -0.8586 -0.8569 -0.8539 -0.8525 -0.7954 -0.7905 -0.7881 -0.7770 -0.7748 -0.7713 -0.7272 -0.7262 -0.4046 -0.1835 -0.1835 0.2584 0.5387 0.7670 0.8800 0.9061 0.9717 1.0484 1.1347 1.2148 1.2389 1.2913 1.3764 1.3974 1.4326 1.4744 1.5278 1.5584 1.6102 1.7926 1.8242 1.8337 1.8693 1.8876 1.9711 2.0086 2.0400 2.0937 2.1259 2.1311 2.1874 2.2278 2.2661 2.3189 2.3316 2.3554 2.3864 2.4385 2.4819 2.5018 2.5557 2.5972 2.6750 2.6993 2.7317 2.8101 2.8494 2.9103 2.9717 3.0157 3.0421 3.0657 3.1173 3.1237 3.1508 3.1992 3.2033 3.2478 3.2599 3.2768 3.3332 3.3889 3.4516 3.4610 3.4917 3.5352 3.5567 3.5990 -23.5276 -21.3710 -20.4106 -16.7663 -14.4717 -14.3492 -14.2778 -14.1709 -14.1352 -13.9711 -13.9287 -13.8929 -13.8487 -13.7980 -13.7732 -13.7596 -13.7221 -13.7031 -13.6953 -13.6607 -13.6314 -13.5981 -13.5431 -13.0351 -12.9702 -12.9039 -12.8747 -12.8537 -12.8336 -12.7885 -12.7532 -12.7478 -12.3202 -11.4891 -11.4168 -11.3619 -11.3615 -11.2968 -11.2957 -11.2826 -11.2616 -11.2604 -10.8449 -10.3128 -10.1698 -10.1433 -10.1024 -10.0858 -10.0335 -9.9929 -9.9759 -9.9671 -9.9599 -9.9474 -9.9239 -9.9133 -9.9090 -9.9007 -9.8902 -9.8755 -9.8647 -9.8524 -9.8482 -9.8427 -9.8324 -9.8212 -9.7787 -9.7515 -9.7329 -9.7214 -9.7130 -9.6960 -9.6805 -9.6782 -9.6642 -9.6569 -9.6464 -9.6329 -9.6273 -9.6187 -9.6084 -9.5942 -9.5863 -9.5778 -9.5708 -9.5633 -9.5554 -9.5455 -9.5371 -9.5275 -9.5211 -9.5114 -9.5080 -9.4978 -9.4835 -9.4741 -9.4675 -9.4582 -9.4446 -9.4344 -9.4320 -9.4186 -9.4012 -9.3930 -9.3857 -9.3805 -9.3656 -9.3486 -9.3368 -9.3276 -9.3202 -9.3031 -9.2961 -9.2784 -9.2713 -9.2505 -9.2262 -9.2194 -9.2051 -9.1942 -9.1707 -9.1490 -9.1400 -9.1290 -9.1023 -9.0930 -9.0555 -9.0452 -9.0238 -9.0145 -8.8990 -8.8928 -8.8478 -8.8408 -8.8112 -8.7949 -8.7904 -8.7804 -8.7672 -8.7603 -8.7459 -8.7429 -8.7358 -8.7221 -8.7161 -8.7067 -8.7018 -8.6945 -8.6796 -8.6741 -8.6687 -8.6654 -8.6592 -8.6507 -8.6381 -8.6360 -8.6223 -8.6137 -8.6046 -8.6018 -8.5884 -8.5807 -8.5762 -8.5609 -8.5589 -8.5478 -8.5367 -8.5280 -8.5244 -8.5126 -8.5061 -8.4846 -8.4827 -8.4810 -8.4508 -8.4433 -8.3947 -8.3743 -8.3430 -8.2828 -8.2804 -7.7278 -7.6993 -7.6958 -7.6579 -7.6562 -7.6405 -7.6396 -7.6133 -7.6116 -7.6096 -7.6052 -7.5963 -7.5950 -7.5855 -7.5710 -7.5580 -7.5573 -7.5118 -7.5100 -7.4849 -7.4696 -7.4657 -7.4632 -7.4531 -7.4515 -7.4445 -7.4392 -7.4329 -7.4121 -7.4091 -7.3994 -7.3906 -7.3877 -7.3853 -7.3825 -7.3668 -7.3660 -7.3545 -7.3509 -7.2736 -7.2700 -7.2696 -7.2072 -7.1260 -7.1238 -7.1008 -7.0020 -7.0017 -7.0014 -6.3808 -6.1174 -6.0224 -5.9039 -5.8249 -5.7984 -5.7444 -5.7197 -5.6348 -5.6030 -5.5734 -5.3302 -5.3103 -5.2302 -5.1962 -5.1201 -4.9688 -4.9217 -4.8967 -4.8677 -4.8369 -4.7994 -4.7300 -4.6768 -4.5599 -4.4681 -4.3888 -4.2482 -4.1812 -4.1376 -4.0911 -4.0743 -4.0481 -4.0279 -3.9555 -3.9086 -3.8914 -3.8604 -3.8485 -3.8383 -3.7986 -3.7652 -3.7461 -3.7155 -3.6822 -3.6711 -3.6462 -3.6055 -3.5668 -3.5316 -3.4881 -3.4576 -3.3746 -3.3604 -3.3511 -3.3314 -3.2707 -3.2133 -3.2030 -3.1951 -3.1722 -3.1211 -3.1030 -3.0868 -3.0806 -3.0685 -3.0405 -3.0214 -2.9892 -2.9661 -2.9471 -2.8667 -2.8439 -2.7934 -2.7648 -2.6911 -2.6694 -2.6125 -2.5994 -2.5878 -2.5622 -2.4106 -2.3793 -2.3117 -2.3017 -2.2876 -2.1876 -2.1811 -2.1551 -2.1524 -2.1045 -1.9599 -1.9392 -1.8907 -1.8782 -1.7676 -1.7663 -1.6678 -1.5819 -1.2303 -1.2298 -1.0354 -1.0090 -0.9538 -0.9536 -0.8050 -0.7876 -0.7487 -0.7474 -0.7378 -0.7371 -0.7280 -0.7271 -0.6526 -0.5701 -0.2976 -0.0500 0.4934 0.6324 0.6954 0.9012 1.0313 1.0581 1.2088 1.2400 1.2984 1.3260 1.3493 1.3989 1.4747 1.5099 1.5713 1.6117 1.6247 1.6682 1.7047 1.7806 1.8170 1.8385 1.9118 1.9371 2.0120 2.0380 2.0759 2.1359 2.2103 2.2438 2.2736 2.3369 2.3678 2.4225 2.4542 2.5096 2.5542 2.6322 2.6620 2.6778 2.7080 2.7475 2.7748 2.8247 2.8519 2.9233 2.9457 3.0014 3.0247 3.0807 3.1016 3.1454 3.1598 3.1961 3.2209 3.2574 3.2875 3.3595 3.3951 3.4118 3.4371 3.4525 3.4838 3.5193 3.5331 3.5437 3.5980 -23.5276 -21.3710 -20.4106 -16.7663 -14.4704 -14.3619 -14.2397 -14.1987 -14.1393 -13.9780 -13.9233 -13.8814 -13.8349 -13.8160 -13.7775 -13.7510 -13.7284 -13.7038 -13.6945 -13.6619 -13.6286 -13.6004 -13.5408 -13.0382 -12.9547 -12.9189 -12.8862 -12.8487 -12.8151 -12.7972 -12.7558 -12.7460 -12.3202 -11.4892 -11.4166 -11.3621 -11.3616 -11.2966 -11.2956 -11.2827 -11.2616 -11.2605 -10.8451 -10.3130 -10.1739 -10.1527 -10.0847 -10.0660 -10.0295 -10.0143 -9.9798 -9.9673 -9.9553 -9.9484 -9.9298 -9.9219 -9.9116 -9.9017 -9.8918 -9.8787 -9.8552 -9.8482 -9.8460 -9.8395 -9.8260 -9.8206 -9.7774 -9.7594 -9.7334 -9.7215 -9.7136 -9.6859 -9.6778 -9.6699 -9.6593 -9.6517 -9.6476 -9.6426 -9.6320 -9.6244 -9.6135 -9.6070 -9.5886 -9.5748 -9.5675 -9.5626 -9.5508 -9.5430 -9.5385 -9.5341 -9.5207 -9.5154 -9.5034 -9.4945 -9.4852 -9.4764 -9.4701 -9.4573 -9.4394 -9.4315 -9.4286 -9.4183 -9.4015 -9.3963 -9.3899 -9.3835 -9.3685 -9.3571 -9.3416 -9.3316 -9.3177 -9.3009 -9.2758 -9.2717 -9.2558 -9.2469 -9.2358 -9.2219 -9.2023 -9.1948 -9.1811 -9.1657 -9.1532 -9.1234 -9.0924 -9.0771 -9.0593 -9.0493 -9.0289 -9.0149 -8.9038 -8.8914 -8.8422 -8.8234 -8.8163 -8.8062 -8.7961 -8.7885 -8.7651 -8.7565 -8.7500 -8.7373 -8.7347 -8.7238 -8.7108 -8.7039 -8.6999 -8.6944 -8.6813 -8.6743 -8.6679 -8.6661 -8.6557 -8.6503 -8.6443 -8.6331 -8.6268 -8.6214 -8.6064 -8.5986 -8.5928 -8.5863 -8.5701 -8.5613 -8.5459 -8.5412 -8.5340 -8.5292 -8.5227 -8.5113 -8.5044 -8.4945 -8.4861 -8.4746 -8.4632 -8.4459 -8.3854 -8.3708 -8.3502 -8.2819 -8.2798 -7.7292 -7.6986 -7.6968 -7.6565 -7.6530 -7.6426 -7.6403 -7.6199 -7.6159 -7.6056 -7.6034 -7.5940 -7.5920 -7.5871 -7.5697 -7.5585 -7.5572 -7.5125 -7.5106 -7.4852 -7.4678 -7.4653 -7.4645 -7.4562 -7.4509 -7.4407 -7.4397 -7.4329 -7.4149 -7.4086 -7.3956 -7.3932 -7.3890 -7.3841 -7.3797 -7.3676 -7.3667 -7.3545 -7.3514 -7.2708 -7.2700 -7.2612 -7.2094 -7.1252 -7.1238 -7.1016 -7.0022 -7.0020 -7.0015 -6.3650 -6.0984 -5.9926 -5.9556 -5.8494 -5.7773 -5.7582 -5.7107 -5.6455 -5.6043 -5.5251 -5.3957 -5.3045 -5.2788 -5.1911 -5.0373 -4.9986 -4.9502 -4.9040 -4.8858 -4.8190 -4.8101 -4.7418 -4.6729 -4.5143 -4.4568 -4.4317 -4.2048 -4.1508 -4.1381 -4.1238 -4.0678 -4.0402 -3.9856 -3.9549 -3.9242 -3.8929 -3.8583 -3.8468 -3.8240 -3.8050 -3.7689 -3.7342 -3.7173 -3.6910 -3.6572 -3.6380 -3.5946 -3.5477 -3.5161 -3.4956 -3.4714 -3.4101 -3.3867 -3.3487 -3.3252 -3.2939 -3.2697 -3.2223 -3.1990 -3.1530 -3.1250 -3.1086 -3.0889 -3.0807 -3.0651 -3.0375 -3.0165 -2.9991 -2.9771 -2.9197 -2.8726 -2.8151 -2.7950 -2.7355 -2.6879 -2.6555 -2.6322 -2.5998 -2.5927 -2.5597 -2.4178 -2.3706 -2.3108 -2.3048 -2.2835 -2.1927 -2.1736 -2.1628 -2.1457 -2.1152 -1.9510 -1.9398 -1.8958 -1.8893 -1.7672 -1.7670 -1.6641 -1.5811 -1.2303 -1.2298 -1.0354 -1.0076 -0.9540 -0.9536 -0.8038 -0.7861 -0.7513 -0.7478 -0.7383 -0.7371 -0.7284 -0.7253 -0.6528 -0.5701 -0.2976 -0.0571 0.5751 0.6275 0.7207 0.8369 1.0176 1.1159 1.1542 1.2366 1.2549 1.3199 1.3671 1.4245 1.4414 1.4996 1.5281 1.5838 1.6287 1.6573 1.7227 1.7744 1.8310 1.8854 1.9188 1.9576 2.0017 2.0426 2.0866 2.1010 2.1763 2.2278 2.3050 2.3241 2.3819 2.4423 2.5159 2.5388 2.5646 2.5906 2.6439 2.6726 2.7043 2.7473 2.7844 2.8220 2.8627 2.9046 2.9706 3.0104 3.0629 3.0725 3.1177 3.1458 3.1778 3.1983 3.2433 3.2722 3.3043 3.3192 3.3661 3.3863 3.4225 3.4324 3.4729 3.5012 3.5688 3.5799 3.6118 -23.5276 -21.3710 -20.4106 -16.7663 -14.4701 -14.3532 -14.2731 -14.1734 -14.1347 -13.9801 -13.9250 -13.8865 -13.8368 -13.8164 -13.7736 -13.7410 -13.7325 -13.7119 -13.6915 -13.6630 -13.6263 -13.6011 -13.5405 -13.0377 -12.9582 -12.9149 -12.8835 -12.8533 -12.8154 -12.7962 -12.7541 -12.7474 -12.3202 -11.4892 -11.4166 -11.3620 -11.3617 -11.2965 -11.2955 -11.2829 -11.2616 -11.2605 -10.8450 -10.3105 -10.1701 -10.1474 -10.0971 -10.0760 -10.0461 -9.9929 -9.9821 -9.9666 -9.9567 -9.9433 -9.9240 -9.9140 -9.9057 -9.8965 -9.8943 -9.8783 -9.8657 -9.8532 -9.8482 -9.8428 -9.8339 -9.8177 -9.7811 -9.7553 -9.7344 -9.7152 -9.7109 -9.6922 -9.6800 -9.6722 -9.6672 -9.6585 -9.6454 -9.6327 -9.6287 -9.6199 -9.6131 -9.5988 -9.5912 -9.5802 -9.5638 -9.5610 -9.5509 -9.5435 -9.5365 -9.5292 -9.5236 -9.5165 -9.5046 -9.4917 -9.4854 -9.4744 -9.4718 -9.4609 -9.4438 -9.4391 -9.4270 -9.4122 -9.4087 -9.3979 -9.3815 -9.3730 -9.3659 -9.3613 -9.3491 -9.3354 -9.3098 -9.3063 -9.2768 -9.2757 -9.2526 -9.2442 -9.2314 -9.2246 -9.2064 -9.1931 -9.1868 -9.1573 -9.1436 -9.1224 -9.1018 -9.0843 -9.0569 -9.0416 -9.0324 -9.0140 -8.9027 -8.8918 -8.8450 -8.8259 -8.8150 -8.8052 -8.7934 -8.7859 -8.7665 -8.7571 -8.7495 -8.7385 -8.7346 -8.7246 -8.7111 -8.7040 -8.7004 -8.6946 -8.6836 -8.6737 -8.6669 -8.6644 -8.6560 -8.6503 -8.6448 -8.6350 -8.6255 -8.6195 -8.6062 -8.5965 -8.5910 -8.5847 -8.5742 -8.5649 -8.5490 -8.5407 -8.5352 -8.5291 -8.5223 -8.5105 -8.5031 -8.4921 -8.4860 -8.4745 -8.4621 -8.4457 -8.3881 -8.3707 -8.3486 -8.2823 -8.2798 -7.7288 -7.6988 -7.6966 -7.6570 -7.6531 -7.6424 -7.6398 -7.6194 -7.6151 -7.6067 -7.6042 -7.5936 -7.5924 -7.5867 -7.5698 -7.5585 -7.5572 -7.5126 -7.5104 -7.4851 -7.4680 -7.4654 -7.4642 -7.4560 -7.4505 -7.4413 -7.4398 -7.4330 -7.4144 -7.4086 -7.3960 -7.3930 -7.3888 -7.3848 -7.3798 -7.3681 -7.3659 -7.3544 -7.3514 -7.2743 -7.2700 -7.2679 -7.2052 -7.1253 -7.1237 -7.1015 -7.0020 -7.0015 -7.0012 -6.3639 -6.1140 -6.0035 -5.9319 -5.8630 -5.7572 -5.7515 -5.7197 -5.6633 -5.6218 -5.4859 -5.3499 -5.3038 -5.2607 -5.2170 -5.0378 -5.0096 -4.9257 -4.9042 -4.8763 -4.8174 -4.8042 -4.7643 -4.6790 -4.5946 -4.4678 -4.4044 -4.2596 -4.1673 -4.1283 -4.0941 -4.0583 -4.0427 -3.9812 -3.9462 -3.9264 -3.8867 -3.8731 -3.8492 -3.8335 -3.8053 -3.7854 -3.7303 -3.7053 -3.6733 -3.6560 -3.6428 -3.6002 -3.5596 -3.5142 -3.4982 -3.4348 -3.4067 -3.3770 -3.3473 -3.3342 -3.2545 -3.2276 -3.2079 -3.1919 -3.1532 -3.1443 -3.1117 -3.0938 -3.0831 -3.0758 -3.0570 -3.0298 -3.0060 -2.9534 -2.9255 -2.8803 -2.8385 -2.7555 -2.7482 -2.7219 -2.6523 -2.6139 -2.6057 -2.5853 -2.5673 -2.4139 -2.3782 -2.3095 -2.3038 -2.2815 -2.1909 -2.1745 -2.1623 -2.1491 -2.1112 -1.9484 -1.9389 -1.8960 -1.8873 -1.7673 -1.7669 -1.6652 -1.5809 -1.2303 -1.2299 -1.0354 -1.0076 -0.9540 -0.9536 -0.8041 -0.7860 -0.7512 -0.7480 -0.7381 -0.7364 -0.7288 -0.7257 -0.6527 -0.5702 -0.2976 -0.0486 0.5021 0.6691 0.6924 0.9245 0.9649 1.0694 1.1408 1.2675 1.2921 1.3140 1.3734 1.4120 1.4494 1.4940 1.5575 1.5985 1.6460 1.6673 1.7316 1.7576 1.8402 1.8869 1.8985 1.9318 2.0041 2.0323 2.0655 2.1736 2.2063 2.2492 2.3118 2.3419 2.3662 2.4285 2.4679 2.5167 2.5585 2.5931 2.6170 2.6685 2.7089 2.7297 2.7607 2.7989 2.8536 2.9100 2.9706 2.9825 3.0435 3.0605 3.0872 3.1264 3.1706 3.1985 3.2415 3.2631 3.2960 3.3283 3.3539 3.3783 3.4400 3.4720 3.4871 3.5092 3.5384 3.5821 3.6203 -23.5276 -21.3711 -20.4106 -16.7663 -14.4690 -14.3466 -14.2798 -14.1743 -14.1388 -13.9751 -13.9206 -13.8734 -13.8562 -13.8304 -13.7730 -13.7391 -13.7304 -13.6961 -13.6833 -13.6777 -13.6272 -13.5993 -13.5404 -13.0166 -12.9771 -12.9401 -12.8671 -12.8465 -12.8207 -12.7880 -12.7594 -12.7454 -12.3202 -11.4423 -11.4390 -11.4341 -11.3046 -11.3014 -11.2969 -11.2730 -11.2702 -11.2651 -10.8450 -10.3130 -10.1674 -10.1425 -10.1028 -10.0898 -10.0357 -9.9992 -9.9778 -9.9650 -9.9586 -9.9474 -9.9267 -9.9159 -9.9077 -9.9000 -9.8900 -9.8746 -9.8608 -9.8520 -9.8459 -9.8425 -9.8307 -9.8190 -9.7773 -9.7513 -9.7322 -9.7127 -9.7051 -9.6941 -9.6838 -9.6758 -9.6689 -9.6606 -9.6473 -9.6388 -9.6335 -9.6173 -9.6136 -9.6076 -9.5879 -9.5719 -9.5691 -9.5570 -9.5543 -9.5517 -9.5415 -9.5314 -9.5218 -9.5158 -9.5116 -9.5011 -9.4841 -9.4738 -9.4680 -9.4493 -9.4389 -9.4336 -9.4246 -9.4139 -9.4033 -9.3937 -9.3862 -9.3721 -9.3606 -9.3499 -9.3462 -9.3292 -9.3249 -9.3092 -9.2818 -9.2733 -9.2562 -9.2431 -9.2357 -9.2181 -9.1975 -9.1893 -9.1829 -9.1615 -9.1253 -9.1003 -9.0958 -9.0817 -9.0711 -9.0545 -9.0428 -9.0220 -8.8968 -8.8779 -8.8517 -8.8318 -8.8234 -8.8140 -8.7930 -8.7885 -8.7772 -8.7570 -8.7496 -8.7398 -8.7310 -8.7230 -8.7170 -8.7023 -8.6945 -8.6845 -8.6755 -8.6737 -8.6663 -8.6601 -8.6560 -8.6512 -8.6481 -8.6403 -8.6293 -8.6257 -8.6167 -8.6022 -8.5949 -8.5831 -8.5765 -8.5596 -8.5496 -8.5378 -8.5328 -8.5302 -8.5150 -8.5109 -8.5050 -8.4968 -8.4827 -8.4777 -8.4706 -8.3923 -8.3779 -8.3642 -8.3282 -8.3207 -8.2957 -7.7285 -7.6858 -7.6788 -7.6721 -7.6616 -7.6554 -7.6494 -7.6273 -7.6219 -7.6131 -7.6052 -7.5978 -7.5870 -7.5572 -7.5529 -7.5506 -7.5455 -7.5385 -7.5316 -7.4718 -7.4694 -7.4675 -7.4656 -7.4624 -7.4589 -7.4379 -7.4307 -7.4220 -7.4124 -7.4038 -7.3984 -7.3868 -7.3838 -7.3807 -7.3760 -7.3728 -7.3710 -7.3632 -7.3609 -7.3545 -7.2738 -7.2083 -7.1330 -7.1272 -7.1205 -7.0571 -7.0504 -7.0429 -7.0019 -6.3915 -6.1589 -6.0628 -5.9955 -5.8606 -5.8324 -5.7754 -5.7568 -5.5822 -5.5264 -5.5133 -5.4569 -5.3338 -5.2464 -5.1994 -5.0746 -5.0016 -4.9900 -4.9562 -4.8218 -4.7244 -4.7098 -4.6576 -4.4877 -4.4322 -4.3730 -4.3216 -4.2842 -4.1743 -4.1389 -4.0964 -4.0521 -4.0081 -3.9593 -3.9401 -3.9107 -3.8930 -3.8497 -3.8390 -3.8259 -3.7965 -3.7815 -3.7452 -3.7278 -3.7026 -3.6649 -3.6517 -3.5866 -3.5601 -3.5493 -3.5325 -3.5156 -3.4631 -3.4432 -3.4081 -3.3777 -3.3198 -3.2689 -3.2413 -3.1513 -3.1306 -3.0954 -3.0813 -3.0493 -3.0154 -2.9823 -2.9714 -2.9372 -2.9310 -2.9142 -2.9004 -2.8744 -2.8330 -2.8222 -2.7972 -2.7324 -2.7153 -2.7115 -2.6885 -2.6680 -2.6192 -2.5733 -2.5411 -2.5070 -2.4338 -2.2562 -2.2424 -2.2241 -2.0982 -2.0748 -2.0496 -1.9605 -1.9431 -1.9178 -1.8991 -1.4646 -1.4608 -1.4544 -1.3583 -1.3444 -1.3361 -1.3312 -1.3282 -1.3238 -0.8224 -0.8120 -0.7961 -0.7576 -0.7541 -0.7481 -0.7308 -0.7242 -0.7226 -0.5432 -0.5406 -0.5393 0.2889 0.4150 0.6499 0.7205 1.0306 1.1252 1.1510 1.1868 1.2466 1.2961 1.3411 1.3943 1.4129 1.4696 1.5179 1.5730 1.6089 1.6658 1.7045 1.7215 1.7755 1.8205 1.8708 1.9312 1.9749 2.0529 2.0805 2.0935 2.1639 2.1918 2.2427 2.2934 2.3243 2.3659 2.4204 2.4795 2.5143 2.5763 2.6258 2.6619 2.7094 2.7533 2.8036 2.8319 2.8619 2.9371 2.9985 3.0468 3.0660 3.1002 3.1119 3.1500 3.1962 3.2139 3.2334 3.2435 3.2782 3.3013 3.3552 3.3825 3.4265 3.4707 3.5035 3.5408 3.5831 3.6039 3.6400 3.6697</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="2070">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99517 0.00059 0.00059 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.83418 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.83332 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.83433 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <scalar dataType="xsd:double"
                             dictRef="cc:freeEnergy"
                             units="nonsi:electronvolt">-291.48778117</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="v:noEntropyEnergy"
                             units="nonsi:electronvolt">-291.46930744</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:e0" units="nonsi:electronvolt">-291.47854430</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:deltaEnergy"
                             units="nonsi:electronvolt">0.4736336E-05</scalar>
                     <scalar dataType="xsd:double" dictRef="v:efermi" units="nonsi:electronvolt">-0.3050</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.6195</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.61949999995001</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.1083</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cd"
                        id="a1"
                        x3="2.10323"
                        xFract="0.11111007"
                        y3="1.2143"
                        yFract="0.11111002"
                        z3="0.84397"
                        zFract="0.02713006"/>
                  <atom elementType="Cd"
                        id="a2"
                        x3="4.20652"
                        xFract="0.22222307"
                        y3="2.42864"
                        yFract="0.22222369"
                        z3="4.26526"
                        zFract="0.13711003"/>
                  <atom elementType="Cd"
                        id="a3"
                        x3="2.13611"
                        xFract="0.11416301"
                        y3="1.20452"
                        yFract="0.11021513"
                        z3="7.62685"
                        zFract="0.2451709"/>
                  <atom elementType="Cd"
                        id="a4"
                        x3="4.21971"
                        xFract="0.22844222"
                        y3="2.31555"
                        yFract="0.21187581"
                        z3="11.10335"
                        zFract="0.35692564"/>
                  <atom elementType="Cd"
                        id="a5"
                        x3="4.20648"
                        xFract="0.11110988"
                        y3="4.85724"
                        yFract="0.44444373"
                        z3="0.84397"
                        zFract="0.02713006"/>
                  <atom elementType="Cd"
                        id="a6"
                        x3="6.30977"
                        xFract="0.22222334"
                        y3="6.07157"
                        yFract="0.55555649"
                        z3="4.26526"
                        zFract="0.13711003"/>
                  <atom elementType="Cd"
                        id="a7"
                        x3="4.20387"
                        xFract="0.11340974"
                        y3="4.80245"
                        yFract="0.43943037"
                        z3="7.69627"
                        zFract="0.24740246"/>
                  <atom elementType="Cd"
                        id="a8"
                        x3="6.32414"
                        xFract="0.22021944"
                        y3="6.14026"
                        yFract="0.56184172"
                        z3="10.47435"
                        zFract="0.33670596"/>
                  <atom elementType="Cd"
                        id="a9"
                        x3="6.30973"
                        xFract="0.11111015"
                        y3="8.50017"
                        yFract="0.77777653"
                        z3="0.84397"
                        zFract="0.02713006"/>
                  <atom elementType="Cd"
                        id="a10"
                        x3="8.41302"
                        xFract="0.22222315"
                        y3="9.71451"
                        yFract="0.8888902"
                        z3="4.26526"
                        zFract="0.13711003"/>
                  <atom elementType="Cd"
                        id="a11"
                        x3="6.22792"
                        xFract="0.10259691"
                        y3="8.54455"
                        yFract="0.78183735"
                        z3="7.82379"
                        zFract="0.25150169"/>
                  <atom elementType="Cd"
                        id="a12"
                        x3="8.44381"
                        xFract="0.23316944"
                        y3="9.52858"
                        yFract="0.87187737"
                        z3="10.40098"
                        zFract="0.33434742"/>
                  <atom elementType="Cd"
                        id="a13"
                        x3="6.30973"
                        xFract="0.44444341"
                        y3="1.2143"
                        yFract="0.11111002"
                        z3="0.84397"
                        zFract="0.02713006"/>
                  <atom elementType="Cd"
                        id="a14"
                        x3="8.41302"
                        xFract="0.5555564"
                        y3="2.42864"
                        yFract="0.22222369"
                        z3="4.26526"
                        zFract="0.13711003"/>
                  <atom elementType="Cd"
                        id="a15"
                        x3="6.33463"
                        xFract="0.44685529"
                        y3="1.20471"
                        yFract="0.11023252"
                        z3="7.64744"
                        zFract="0.24583278"/>
                  <atom elementType="Cd"
                        id="a16"
                        x3="8.49573"
                        xFract="0.5679346"
                        y3="2.30134"
                        yFract="0.21057558"
                        z3="11.12493"
                        zFract="0.35761935"/>
                  <atom elementType="Cd"
                        id="a17"
                        x3="8.41298"
                        xFract="0.44444322"
                        y3="4.85724"
                        yFract="0.44444373"
                        z3="0.84397"
                        zFract="0.02713006"/>
                  <atom elementType="Cd"
                        id="a18"
                        x3="10.51627"
                        xFract="0.55555667"
                        y3="6.07157"
                        yFract="0.55555649"
                        z3="4.26526"
                        zFract="0.13711003"/>
                  <atom elementType="Cd"
                        id="a19"
                        x3="8.37591"
                        xFract="0.44509255"
                        y3="4.77884"
                        yFract="0.43727003"
                        z3="7.70735"
                        zFract="0.24775864"/>
                  <atom elementType="Cd"
                        id="a20"
                        x3="10.50629"
                        xFract="0.54913118"
                        y3="6.19473"
                        yFract="0.56682579"
                        z3="10.18482"
                        zFract="0.3273988"/>
                  <atom elementType="Cd"
                        id="a21"
                        x3="10.51623"
                        xFract="0.44444349"
                        y3="8.50017"
                        yFract="0.77777653"
                        z3="0.84397"
                        zFract="0.02713006"/>
                  <atom elementType="Cd"
                        id="a22"
                        x3="12.61952"
                        xFract="0.55555648"
                        y3="9.71451"
                        yFract="0.8888902"
                        z3="4.26526"
                        zFract="0.13711003"/>
                  <atom elementType="Cd"
                        id="a23"
                        x3="10.61927"
                        xFract="0.4465"
                        y3="8.63369"
                        yFract="0.78999378"
                        z3="7.74549"
                        zFract="0.24898468"/>
                  <atom elementType="Cd"
                        id="a24"
                        x3="13.31145"
                        xFract="0.59403771"
                        y3="10.07186"
                        yFract="0.92158819"
                        z3="11.52946"
                        zFract="0.37062327"/>
                  <atom elementType="Cd"
                        id="a25"
                        x3="10.51623"
                        xFract="0.77777674"
                        y3="1.2143"
                        yFract="0.11111002"
                        z3="0.84397"
                        zFract="0.02713006"/>
                  <atom elementType="Cd"
                        id="a26"
                        x3="12.61952"
                        xFract="0.88888974"
                        y3="2.42864"
                        yFract="0.22222369"
                        z3="4.26526"
                        zFract="0.13711003"/>
                  <atom elementType="Cd"
                        id="a27"
                        x3="10.45396"
                        xFract="0.7761812"
                        y3="1.14132"
                        yFract="0.10443225"
                        z3="7.81176"
                        zFract="0.25111498"/>
                  <atom elementType="Cd"
                        id="a28"
                        x3="12.51491"
                        xFract="0.88597223"
                        y3="2.31122"
                        yFract="0.21147961"
                        z3="10.36941"
                        zFract="0.33333258"/>
                  <atom elementType="Cd"
                        id="a29"
                        x3="12.61948"
                        xFract="0.77777655"
                        y3="4.85724"
                        yFract="0.44444373"
                        z3="0.84397"
                        zFract="0.02713006"/>
                  <atom elementType="Cd"
                        id="a30"
                        x3="14.72277"
                        xFract="0.88889001"
                        y3="6.07157"
                        yFract="0.55555649"
                        z3="4.26526"
                        zFract="0.13711003"/>
                  <atom elementType="Cd"
                        id="a31"
                        x3="12.6716"
                        xFract="0.78275122"
                        y3="4.83878"
                        yFract="0.44275462"
                        z3="7.62461"
                        zFract="0.2450989"/>
                  <atom elementType="Cd"
                        id="a32"
                        x3="14.71505"
                        xFract="0.88412135"
                        y3="6.16243"
                        yFract="0.5638703"
                        z3="10.45501"
                        zFract="0.33608426"/>
                  <atom elementType="Cd"
                        id="a33"
                        x3="14.72273"
                        xFract="0.77777682"
                        y3="8.50017"
                        yFract="0.77777653"
                        z3="0.84397"
                        zFract="0.02713006"/>
                  <atom elementType="Cd"
                        id="a34"
                        x3="16.82602"
                        xFract="0.88888982"
                        y3="9.71451"
                        yFract="0.8888902"
                        z3="4.26526"
                        zFract="0.13711003"/>
                  <atom elementType="Cd"
                        id="a35"
                        x3="14.76977"
                        xFract="0.77661318"
                        y3="8.60708"
                        yFract="0.78755893"
                        z3="7.92114"
                        zFract="0.25463108"/>
                  <atom elementType="Cd"
                        id="a36"
                        x3="16.88849"
                        xFract="0.92486177"
                        y3="9.03645"
                        yFract="0.82684684"
                        z3="13.74744"
                        zFract="0.44192193"/>
                  <atom elementType="S"
                        id="a37"
                        x3="4.20652"
                        xFract="0.22222307"
                        y3="2.42864"
                        yFract="0.22222369"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a38"
                        x3="2.10323"
                        xFract="0.11111007"
                        y3="1.2143"
                        yFract="0.11111002"
                        z3="3.4216"
                        zFract="0.10998994"/>
                  <atom elementType="S"
                        id="a39"
                        x3="4.2240"
                        xFract="0.22424142"
                        y3="2.4148"
                        yFract="0.22095732"
                        z3="6.89355"
                        zFract="0.22159842"/>
                  <atom elementType="S"
                        id="a40"
                        x3="2.11735"
                        xFract="0.11482075"
                        y3="1.15765"
                        yFract="0.10592647"
                        z3="10.29738"
                        zFract="0.33101712"/>
                  <atom elementType="S"
                        id="a41"
                        x3="6.30977"
                        xFract="0.22222334"
                        y3="6.07157"
                        yFract="0.55555649"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a42"
                        x3="4.20648"
                        xFract="0.11110988"
                        y3="4.85724"
                        yFract="0.44444373"
                        z3="3.4216"
                        zFract="0.10998994"/>
                  <atom elementType="S"
                        id="a43"
                        x3="6.30783"
                        xFract="0.22146341"
                        y3="6.08482"
                        yFract="0.55676888"
                        z3="7.02696"
                        zFract="0.22588698"/>
                  <atom elementType="S"
                        id="a44"
                        x3="4.20525"
                        xFract="0.1151954"
                        y3="4.76581"
                        yFract="0.43607777"
                        z3="10.41516"
                        zFract="0.33480325"/>
                  <atom elementType="S"
                        id="a45"
                        x3="8.41302"
                        xFract="0.22222315"
                        y3="9.71451"
                        yFract="0.8888902"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a46"
                        x3="6.30973"
                        xFract="0.11111015"
                        y3="8.50017"
                        yFract="0.77777653"
                        z3="3.4216"
                        zFract="0.10998994"/>
                  <atom elementType="S"
                        id="a47"
                        x3="8.40906"
                        xFract="0.22406832"
                        y3="9.66732"
                        yFract="0.88457226"
                        z3="6.99512"
                        zFract="0.22486346"/>
                  <atom elementType="S"
                        id="a48"
                        x3="6.17378"
                        xFract="0.09624886"
                        y3="8.58953"
                        yFract="0.78595308"
                        z3="10.45736"
                        zFract="0.3361598"/>
                  <atom elementType="S"
                        id="a49"
                        x3="8.41302"
                        xFract="0.5555564"
                        y3="2.42864"
                        yFract="0.22222369"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a50"
                        x3="6.30973"
                        xFract="0.44444341"
                        y3="1.2143"
                        yFract="0.11111002"
                        z3="3.4216"
                        zFract="0.10998994"/>
                  <atom elementType="S"
                        id="a51"
                        x3="8.44293"
                        xFract="0.55868829"
                        y3="2.41199"
                        yFract="0.2207002"
                        z3="6.89804"
                        zFract="0.22174275"/>
                  <atom elementType="S"
                        id="a52"
                        x3="6.33311"
                        xFract="0.44445966"
                        y3="1.25444"
                        yFract="0.11478288"
                        z3="10.22961"
                        zFract="0.32883861"/>
                  <atom elementType="S"
                        id="a53"
                        x3="10.51627"
                        xFract="0.55555667"
                        y3="6.07157"
                        yFract="0.55555649"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a54"
                        x3="8.41298"
                        xFract="0.44444322"
                        y3="4.85724"
                        yFract="0.44444373"
                        z3="3.4216"
                        zFract="0.10998994"/>
                  <atom elementType="S"
                        id="a55"
                        x3="10.50881"
                        xFract="0.55330706"
                        y3="6.10782"
                        yFract="0.55887341"
                        z3="7.13438"
                        zFract="0.22934008"/>
                  <atom elementType="S"
                        id="a56"
                        x3="8.43826"
                        xFract="0.44982424"
                        y3="4.78341"
                        yFract="0.43768819"
                        z3="10.4614"
                        zFract="0.33628967"/>
                  <atom elementType="S"
                        id="a57"
                        x3="12.61952"
                        xFract="0.55555648"
                        y3="9.71451"
                        yFract="0.8888902"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a58"
                        x3="10.51623"
                        xFract="0.44444349"
                        y3="8.50017"
                        yFract="0.77777653"
                        z3="3.4216"
                        zFract="0.10998994"/>
                  <atom elementType="S"
                        id="a59"
                        x3="12.70859"
                        xFract="0.56270245"
                        y3="9.71259"
                        yFract="0.88871452"
                        z3="6.90094"
                        zFract="0.22183597"/>
                  <atom elementType="S"
                        id="a60"
                        x3="10.7705"
                        xFract="0.45762327"
                        y3="8.6525"
                        yFract="0.79171492"
                        z3="10.44615"
                        zFract="0.33579945"/>
                  <atom elementType="S"
                        id="a61"
                        x3="12.61952"
                        xFract="0.88888974"
                        y3="2.42864"
                        yFract="0.22222369"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a62"
                        x3="10.51623"
                        xFract="0.77777674"
                        y3="1.2143"
                        yFract="0.11111002"
                        z3="3.4216"
                        zFract="0.10998994"/>
                  <atom elementType="S"
                        id="a63"
                        x3="12.59114"
                        xFract="0.88798957"
                        y3="2.39916"
                        yFract="0.21952624"
                        z3="6.98696"
                        zFract="0.22460115"/>
                  <atom elementType="S"
                        id="a64"
                        x3="10.49586"
                        xFract="0.78752978"
                        y3="0.96584"
                        yFract="0.08837561"
                        z3="10.38076"
                        zFract="0.33369744"/>
                  <atom elementType="S"
                        id="a65"
                        x3="14.72277"
                        xFract="0.88889001"
                        y3="6.07157"
                        yFract="0.55555649"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a66"
                        x3="12.61948"
                        xFract="0.77777655"
                        y3="4.85724"
                        yFract="0.44444373"
                        z3="3.4216"
                        zFract="0.10998994"/>
                  <atom elementType="S"
                        id="a67"
                        x3="14.75282"
                        xFract="0.88831895"
                        y3="6.1361"
                        yFract="0.56146107"
                        z3="7.0359"
                        zFract="0.22617437"/>
                  <atom elementType="S"
                        id="a68"
                        x3="12.61791"
                        xFract="0.77944602"
                        y3="4.81803"
                        yFract="0.44085596"
                        z3="10.44646"
                        zFract="0.33580941"/>
                  <atom elementType="S"
                        id="a69"
                        x3="16.82602"
                        xFract="0.88888982"
                        y3="9.71451"
                        yFract="0.8888902"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="S"
                        id="a70"
                        x3="14.72273"
                        xFract="0.77777682"
                        y3="8.50017"
                        yFract="0.77777653"
                        z3="3.4216"
                        zFract="0.10998994"/>
                  <atom elementType="S"
                        id="a71"
                        x3="16.82041"
                        xFract="0.8887431"
                        y3="9.7080"
                        yFract="0.88829453"
                        z3="6.8873"
                        zFract="0.2213975"/>
                  <atom elementType="S"
                        id="a72"
                        x3="15.02555"
                        xFract="0.79833989"
                        y3="8.57521"
                        yFract="0.78464278"
                        z3="10.49977"
                        zFract="0.3375231"/>
                  <atom elementType="S"
                        id="a73"
                        x3="8.55514"
                        xFract="0.6503485"
                        y3="0.60287"
                        yFract="0.05516338"
                        z3="13.24333"
                        zFract="0.42571693"/>
                  <atom elementType="O"
                        id="a74"
                        x3="4.2661"
                        xFract="0.2736896"
                        y3="1.4069"
                        yFract="0.12873317"
                        z3="13.18908"
                        zFract="0.42397302"/>
                  <atom elementType="O"
                        id="a75"
                        x3="5.51906"
                        xFract="0.31614347"
                        y3="2.64915"
                        yFract="0.24240064"
                        z3="14.6277"
                        zFract="0.47021856"/>
                  <atom elementType="N"
                        id="a76"
                        x3="11.96701"
                        xFract="0.48493988"
                        y3="10.12784"
                        yFract="0.92671043"
                        z3="13.51508"
                        zFract="0.43445254"/>
                  <atom elementType="C"
                        id="a77"
                        x3="5.96059"
                        xFract="0.45937147"
                        y3="0.28328"
                        yFract="0.02592049"
                        z3="14.4730"
                        zFract="0.46524561"/>
                  <atom elementType="C"
                        id="a78"
                        x3="7.46128"
                        xFract="0.56711979"
                        y3="0.52743"
                        yFract="0.04826053"
                        z3="14.70705"
                        zFract="0.47276933"/>
                  <atom elementType="C"
                        id="a79"
                        x3="5.2060"
                        xFract="0.33980956"
                        y3="1.58963"
                        yFract="0.1454532"
                        z3="14.05998"
                        zFract="0.45196877"/>
                  <atom elementType="H"
                        id="a80"
                        x3="5.53624"
                        xFract="0.43744429"
                        y3="0.02756"
                        yFract="0.00252178"
                        z3="15.46533"
                        zFract="0.49714481"/>
                  <atom elementType="H"
                        id="a81"
                        x3="14.18391"
                        xFract="0.63679009"
                        y3="10.64854"
                        yFract="0.97435515"
                        z3="15.33676"
                        zFract="0.49301183"/>
                  <atom elementType="H"
                        id="a82"
                        x3="7.53462"
                        xFract="0.52981785"
                        y3="1.46979"
                        yFract="0.13448768"
                        z3="15.26463"
                        zFract="0.49069316"/>
                  <atom elementType="H"
                        id="a83"
                        x3="11.04117"
                        xFract="0.40202224"
                        y3="10.33662"
                        yFract="0.94581407"
                        z3="13.12064"
                        zFract="0.42177297"/>
                  <atom elementType="H"
                        id="a84"
                        x3="11.94331"
                        xFract="0.52504171"
                        y3="9.21026"
                        yFract="0.84275068"
                        z3="13.95985"
                        zFract="0.44875001"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a38" order="S"/>
                  <bond atomRefs2="a1 a37" order="S"/>
                  <bond atomRefs2="a2 a39" order="S"/>
                  <bond atomRefs2="a2 a38" order="S"/>
                  <bond atomRefs2="a2 a50" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a3 a40" order="S"/>
                  <bond atomRefs2="a3 a39" order="S"/>
                  <bond atomRefs2="a4 a44" order="S"/>
                  <bond atomRefs2="a4 a40" order="S"/>
                  <bond atomRefs2="a4 a52" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a5 a42" order="S"/>
                  <bond atomRefs2="a5 a41" order="S"/>
                  <bond atomRefs2="a5 a37" order="S"/>
                  <bond atomRefs2="a6 a43" order="S"/>
                  <bond atomRefs2="a6 a42" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a6 a54" order="S"/>
                  <bond atomRefs2="a7 a44" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a39" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a8 a56" order="S"/>
                  <bond atomRefs2="a8 a48" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a9 a41" order="S"/>
                  <bond atomRefs2="a10 a47" order="S"/>
                  <bond atomRefs2="a10 a46" order="S"/>
                  <bond atomRefs2="a10 a58" order="S"/>
                  <bond atomRefs2="a11 a48" order="S"/>
                  <bond atomRefs2="a11 a47" order="S"/>
                  <bond atomRefs2="a11 a43" order="S"/>
                  <bond atomRefs2="a12 a60" order="S"/>
                  <bond atomRefs2="a12 a48" order="S"/>
                  <bond atomRefs2="a13 a50" order="S"/>
                  <bond atomRefs2="a13 a49" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a14 a51" order="S"/>
                  <bond atomRefs2="a14 a50" order="S"/>
                  <bond atomRefs2="a14 a62" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a15 a52" order="S"/>
                  <bond atomRefs2="a15 a39" order="S"/>
                  <bond atomRefs2="a15 a51" order="S"/>
                  <bond atomRefs2="a16 a73" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a64" order="S"/>
                  <bond atomRefs2="a17 a54" order="S"/>
                  <bond atomRefs2="a17 a53" order="S"/>
                  <bond atomRefs2="a17 a49" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a18 a55" order="S"/>
                  <bond atomRefs2="a18 a54" order="S"/>
                  <bond atomRefs2="a18 a58" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a19 a56" order="S"/>
                  <bond atomRefs2="a19 a55" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a19 a51" order="S"/>
                  <bond atomRefs2="a20 a68" order="S"/>
                  <bond atomRefs2="a20 a56" order="S"/>
                  <bond atomRefs2="a20 a60" order="S"/>
                  <bond atomRefs2="a21 a58" order="S"/>
                  <bond atomRefs2="a21 a57" order="S"/>
                  <bond atomRefs2="a21 a45" order="S"/>
                  <bond atomRefs2="a21 a53" order="S"/>
                  <bond atomRefs2="a22 a59" order="S"/>
                  <bond atomRefs2="a22 a58" order="S"/>
                  <bond atomRefs2="a22 a70" order="S"/>
                  <bond atomRefs2="a23 a60" order="S"/>
                  <bond atomRefs2="a23 a55" order="S"/>
                  <bond atomRefs2="a23 a47" order="S"/>
                  <bond atomRefs2="a23 a59" order="S"/>
                  <bond atomRefs2="a24 a72" order="S"/>
                  <bond atomRefs2="a24 a76" order="S"/>
                  <bond atomRefs2="a25 a62" order="S"/>
                  <bond atomRefs2="a25 a61" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a26 a63" order="S"/>
                  <bond atomRefs2="a26 a62" order="S"/>
                  <bond atomRefs2="a26 a66" order="S"/>
                  <bond atomRefs2="a27 a63" order="S"/>
                  <bond atomRefs2="a27 a64" order="S"/>
                  <bond atomRefs2="a27 a51" order="S"/>
                  <bond atomRefs2="a28 a68" order="S"/>
                  <bond atomRefs2="a28 a64" order="S"/>
                  <bond atomRefs2="a29 a66" order="S"/>
                  <bond atomRefs2="a29 a65" order="S"/>
                  <bond atomRefs2="a29 a61" order="S"/>
                  <bond atomRefs2="a29 a53" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a30 a70" order="S"/>
                  <bond atomRefs2="a31 a68" order="S"/>
                  <bond atomRefs2="a31 a55" order="S"/>
                  <bond atomRefs2="a31 a63" order="S"/>
                  <bond atomRefs2="a31 a67" order="S"/>
                  <bond atomRefs2="a32 a68" order="S"/>
                  <bond atomRefs2="a32 a72" order="S"/>
                  <bond atomRefs2="a33 a70" order="S"/>
                  <bond atomRefs2="a33 a69" order="S"/>
                  <bond atomRefs2="a33 a57" order="S"/>
                  <bond atomRefs2="a33 a65" order="S"/>
                  <bond atomRefs2="a34 a71" order="S"/>
                  <bond atomRefs2="a34 a70" order="S"/>
                  <bond atomRefs2="a35 a67" order="S"/>
                  <bond atomRefs2="a35 a72" order="S"/>
                  <bond atomRefs2="a35 a59" order="S"/>
                  <bond atomRefs2="a35 a71" order="S"/>
                  <bond atomRefs2="a73 a78" order="S"/>
                  <bond atomRefs2="a74 a79" order="S"/>
                  <bond atomRefs2="a75 a79" order="S"/>
                  <bond atomRefs2="a76 a83" order="S"/>
                  <bond atomRefs2="a76 a84" order="S"/>
                  <bond atomRefs2="a77 a79" order="S"/>
                  <bond atomRefs2="a77 a78" order="S"/>
                  <bond atomRefs2="a77 a80" order="S"/>
                  <bond atomRefs2="a78 a82" order="S"/>
               </bondArray>
               <formula concise="C 3 H 5 Cd 36 N 1 O 2 S 37">
                  <atomArray count="3 5 36 1 2 37" elementType="C H Cd N O S"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">5315.238599999986</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C3H2O2S.36Cd.H2N.36S.H/c4-3(5)1-2-6;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1-2H;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;3*+1;-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:77,78,79,74,75,73;1;2;3;5;6;7;8;9;10;11;12;13;14;15;17;18;19;20;21;22;23;25;26;27;28;29;30;31;32;33;34;35;36;4;16;24;76;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;81/E:(4,5);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.3,2.3,3.3,4-1,5.1,6-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:84CdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdCdS3SSSS3S3SS3SS3S3S3S3S3SS3S3SSSSSS3S3SS3S3S3SSS3SS1SSS3SOO1NC3C3C3HH0HHH/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s1s5s13;s1s2;s2s3s7s15;s3s4;s5s9s17;s2s5s6;s6s7s11s19;s4s7s8;s9s21;s6s9s10;s10s11s23;s8s11s12;s13s17s25;s2s13s14;s14s15s19s27;s4s15s16;s17s21s29;s6s14s17s18;s18s19s23s31;s8s16s19s20;s21s33;s10s18s21s22;s22s23s35;s12s20s23;s25s29;s14s25s26;s26s27s31;s16s27s28;s29s33;s18s26s29s30;s30s31s35;s20s28s31s32;s33;s22s30s33s34;s34s35;s24s32s35;s16;s4;;s24;;s73s77;s74s75s77;s77;;s78;s76;s76;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
