<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-23T12:20:45.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.646452753</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.646452753</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.406858593</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.27440882"
                        xFract="0.16666667"
                        y3="1.27440882"
                        yFract="0.16666667"
                        z3="10.00000006"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.82322638"
                        xFract="0.5000"
                        y3="1.27440882"
                        yFract="0.16666667"
                        z3="10.00000006"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.37204394"
                        xFract="0.83333333"
                        y3="1.27440882"
                        yFract="0.16666667"
                        z3="10.00000006"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="1.27440882"
                        xFract="0.16666667"
                        y3="3.82322638"
                        yFract="0.5000"
                        z3="10.00000006"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.82322638"
                        xFract="0.5000"
                        y3="3.82322638"
                        yFract="0.5000"
                        z3="10.00000006"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="6.37204394"
                        xFract="0.83333333"
                        y3="3.82322638"
                        yFract="0.5000"
                        z3="10.00000006"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="1.27440882"
                        xFract="0.16666667"
                        y3="6.37204394"
                        yFract="0.83333333"
                        z3="10.00000006"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="3.82322638"
                        xFract="0.5000"
                        y3="6.37204394"
                        yFract="0.83333333"
                        z3="10.00000006"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.37204394"
                        xFract="0.83333333"
                        y3="6.37204394"
                        yFract="0.83333333"
                        z3="10.00000006"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="11.80228613"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.54881756"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="11.80228613"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.09763519"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="11.80228613"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.54881756"
                        yFract="0.33333333"
                        z3="11.80228613"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="2.54881756"
                        xFract="0.33333333"
                        y3="2.54881756"
                        yFract="0.33333333"
                        z3="11.80228613"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="5.09763519"
                        xFract="0.66666667"
                        y3="2.54881756"
                        yFract="0.33333333"
                        z3="11.80228613"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.09763519"
                        yFract="0.66666667"
                        z3="11.80228613"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.54881756"
                        xFract="0.33333333"
                        y3="5.09763519"
                        yFract="0.66666667"
                        z3="11.80228613"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="5.09763519"
                        xFract="0.66666667"
                        y3="5.09763519"
                        yFract="0.66666667"
                        z3="11.80228613"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.26224377"
                        xFract="0.16507573"
                        y3="1.26690275"
                        yFract="0.16568503"
                        z3="13.6183821"
                        zFract="0.53601204"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.82756169"
                        xFract="0.50056697"
                        y3="1.27654837"
                        yFract="0.16694648"
                        z3="13.58622693"
                        zFract="0.53474643"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.35736665"
                        xFract="0.83141384"
                        y3="1.27290025"
                        yFract="0.16646938"
                        z3="13.66478113"
                        zFract="0.53783828"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="1.24644352"
                        xFract="0.16300938"
                        y3="3.87166115"
                        yFract="0.50633428"
                        z3="13.62663603"
                        zFract="0.53633691"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="3.7955833"
                        xFract="0.49638485"
                        y3="3.82511543"
                        yFract="0.50024705"
                        z3="13.59803146"
                        zFract="0.53521105"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.38986988"
                        xFract="0.8356646"
                        y3="3.84504369"
                        yFract="0.50285326"
                        z3="13.60618605"
                        zFract="0.53553201"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.2635182"
                        xFract="0.1652424"
                        y3="6.41879916"
                        yFract="0.83944796"
                        z3="13.66247672"
                        zFract="0.53774758"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="3.7998738"
                        xFract="0.49694596"
                        y3="6.32245921"
                        yFract="0.82684866"
                        z3="13.64231282"
                        zFract="0.53695394"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.33669178"
                        xFract="0.82870999"
                        y3="6.39447542"
                        yFract="0.83626691"
                        z3="13.63014675"
                        zFract="0.53647509"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.63819573"
                        xFract="0.99892015"
                        y3="0.1198921"
                        yFract="0.01567944"
                        z3="15.66209152"
                        zFract="0.61645132"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.56443857"
                        xFract="0.33537624"
                        y3="0.00447348"
                        yFract="0.00058504"
                        z3="15.46460451"
                        zFract="0.60867834"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="5.04795428"
                        xFract="0.66016942"
                        y3="7.62928211"
                        yFract="0.99775443"
                        z3="15.47873225"
                        zFract="0.6092344"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="0.01669672"
                        xFract="0.00218359"
                        y3="2.64552806"
                        yFract="0.34598109"
                        z3="15.4536257"
                        zFract="0.60824622"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.54274658"
                        xFract="0.33253937"
                        y3="2.53413576"
                        yFract="0.33141325"
                        z3="15.33914748"
                        zFract="0.60374042"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="5.07650606"
                        xFract="0.66390341"
                        y3="2.54177112"
                        yFract="0.3324118"
                        z3="15.44814061"
                        zFract="0.60803033"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="7.59633637"
                        xFract="0.9934458"
                        y3="5.18751313"
                        yFract="0.67842087"
                        z3="15.4915871"
                        zFract="0.60974036"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="2.49001725"
                        xFract="0.32564345"
                        y3="5.07033369"
                        yFract="0.66309619"
                        z3="15.52869458"
                        zFract="0.61120089"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.0643589"
                        xFract="0.66231481"
                        y3="5.03162169"
                        yFract="0.65803345"
                        z3="15.46682634"
                        zFract="0.60876579"/>
                  <atom elementType="C"
                        id="a37"
                        x3="0.19423619"
                        xFract="0.02540213"
                        y3="1.67057146"
                        yFract="0.21847666"
                        z3="17.07257665"
                        zFract="0.67196724"/>
                  <atom elementType="C"
                        id="a38"
                        x3="5.13464525"
                        xFract="0.67150683"
                        y3="3.73369284"
                        yFract="0.48829084"
                        z3="17.00316435"
                        zFract="0.66923521"/>
                  <atom elementType="C"
                        id="a39"
                        x3="3.79434657"
                        xFract="0.49622311"
                        y3="0.148423"
                        yFract="0.0194107"
                        z3="17.01059611"
                        zFract="0.66952772"/>
                  <atom elementType="C"
                        id="a40"
                        x3="2.15156086"
                        xFract="0.28138026"
                        y3="4.64139239"
                        yFract="0.60699942"
                        z3="17.30898645"
                        zFract="0.6812722"/>
                  <atom elementType="C"
                        id="a41"
                        x3="7.19327327"
                        xFract="0.94073337"
                        y3="6.3442682"
                        yFract="0.82970083"
                        z3="17.02160261"
                        zFract="0.66996093"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.24715193"
                        xFract="0.03232243"
                        y3="1.6587528"
                        yFract="0.21693102"
                        z3="18.23949283"
                        zFract="0.71789642"/>
                  <atom elementType="O"
                        id="a43"
                        x3="5.20083379"
                        xFract="0.68016294"
                        y3="3.76771267"
                        yFract="0.49273994"
                        z3="18.17092073"
                        zFract="0.71519746"/>
                  <atom elementType="O"
                        id="a44"
                        x3="3.79415273"
                        xFract="0.49619776"
                        y3="0.22923048"
                        yFract="0.02997867"
                        z3="18.1789808"
                        zFract="0.7155147"/>
                  <atom elementType="O"
                        id="a45"
                        x3="1.98074538"
                        xFract="0.25904108"
                        y3="4.33420303"
                        yFract="0.56682532"
                        z3="18.41114741"
                        zFract="0.72465265"/>
                  <atom elementType="O"
                        id="a46"
                        x3="6.98177078"
                        xFract="0.91307316"
                        y3="6.29252151"
                        yFract="0.82293342"
                        z3="18.17501251"
                        zFract="0.71535851"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a11" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a15" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a29" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a21 a28" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a35" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a34" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a27 a34" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a29 a39" order="S"/>
                  <bond atomRefs2="a30 a36" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a41" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
               </bondArray>
               <formula concise="C5Cu36O5">
                  <atomArray count="5 36 5" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2427.7065000000002</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-03</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">446.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.20</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</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>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE Cu 22Jun2005|PAW_PBE C 08Apr2002|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="3">Cu C O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">63.55 12.01 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">11.00 4.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">36 5 5</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-POINTS</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 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="10">1 2 3 4 5 6 7 8 9 10</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2680">-25.0133 -24.5848 -24.5480 -24.5468 -24.3989 -11.1994 -10.6930 -10.6531 -10.5036 -10.4026 -9.4207 -8.4679 -8.3219 -8.1872 -8.1190 -8.0927 -8.0064 -7.8926 -7.7784 -7.6844 -7.4987 -7.4640 -7.3647 -7.2673 -7.1898 -7.1542 -7.0716 -7.0424 -7.0167 -6.9948 -6.9766 -6.0277 -5.9567 -5.9416 -5.9006 -5.6601 -5.6466 -5.6350 -5.6178 -5.6036 -5.4906 -5.1566 -5.1130 -5.1028 -5.0466 -5.0187 -4.9839 -4.9729 -4.9602 -4.9498 -4.9031 -4.8961 -4.8771 -4.8736 -4.7999 -4.7938 -4.7889 -4.7715 -4.7608 -4.7579 -4.7463 -4.7376 -4.7188 -4.7162 -4.6993 -4.6855 -4.6672 -4.5410 -4.5193 -4.5077 -4.4889 -4.4568 -4.4313 -4.4170 -4.3973 -4.3521 -4.3448 -4.3170 -4.3001 -4.2476 -4.2445 -4.2210 -4.2084 -4.1904 -4.1656 -4.1304 -4.1095 -4.0776 -4.0588 -4.0324 -4.0169 -4.0137 -3.8671 -3.8606 -3.8466 -3.8367 -3.8274 -3.8219 -3.8176 -3.8140 -3.8050 -3.7978 -3.7944 -3.7832 -3.7693 -3.7523 -3.7350 -3.7329 -3.7268 -3.7192 -3.7064 -3.6984 -3.6667 -3.6557 -3.6343 -3.6209 -3.6117 -3.5912 -3.5682 -3.5605 -3.5496 -3.5430 -3.5101 -3.5040 -3.4961 -3.4921 -3.4885 -3.4714 -3.4390 -3.3905 -3.3764 -3.3727 -3.3597 -3.3513 -3.3327 -3.3151 -3.3062 -3.2835 -3.2758 -3.2532 -3.2458 -3.2384 -3.2223 -3.2129 -3.2048 -3.1198 -3.1067 -3.1050 -3.0956 -3.0920 -3.0680 -3.0492 -3.0384 -3.0109 -2.9767 -2.9233 -2.9073 -2.8913 -2.8855 -2.8798 -2.8676 -2.8469 -2.8390 -2.8326 -2.8170 -2.8080 -2.8063 -2.8046 -2.8023 -2.8011 -2.7986 -2.7935 -2.7827 -2.7799 -2.7767 -2.7510 -2.7325 -2.7218 -2.7045 -2.6983 -2.6701 -2.6602 -2.6568 -2.6440 -2.6219 -2.6143 -2.5918 -2.5822 -2.5689 -2.5551 -2.5466 -2.5344 -2.5254 -2.5164 -2.5133 -2.5090 -2.5017 -2.4822 -2.4558 -2.4523 -2.4188 -2.4140 -2.4115 -2.3920 -2.3572 -2.3144 -2.3097 -2.3057 -2.3015 -2.2931 -2.2890 -2.2885 -2.2861 -2.2749 -2.2690 -2.2147 -2.0730 -1.9750 -1.9258 -1.8508 -1.3065 -1.2969 -1.2061 -0.9567 -0.5056 -0.3568 -0.2688 -0.1040 -0.0160 0.1105 0.3179 0.3342 0.6673 0.9358 1.1422 1.2637 1.5029 1.6831 1.8537 2.2202 2.2760 2.3521 2.4073 2.5522 2.6347 2.7062 2.7846 2.9524 3.3818 3.4022 3.4210 3.4372 3.4834 4.0325 4.0762 4.0865 4.1208 4.1488 4.4988 4.6151 4.6899 4.8424 4.9578 4.9872 5.1202 5.1645 5.2238 5.2607 -25.0130 -24.5851 -24.5515 -24.5433 -24.3986 -11.1452 -10.7793 -10.6542 -10.4971 -10.3748 -9.2777 -8.4163 -8.3849 -8.3026 -8.1071 -8.0693 -7.9799 -7.9072 -7.8219 -7.7421 -7.6539 -7.5453 -7.4603 -7.3534 -7.2390 -7.1388 -7.1162 -7.0671 -6.9049 -6.8840 -6.3815 -6.1434 -6.0664 -6.0450 -5.8838 -5.8445 -5.6712 -5.5669 -5.4187 -5.3843 -5.3650 -5.2203 -5.2166 -5.1426 -5.0950 -5.0692 -5.0533 -5.0452 -4.9937 -4.9848 -4.9410 -4.9095 -4.8904 -4.8556 -4.8378 -4.8071 -4.7905 -4.7755 -4.7405 -4.7286 -4.7119 -4.7065 -4.6963 -4.6842 -4.6748 -4.6556 -4.5867 -4.5605 -4.5435 -4.5340 -4.4926 -4.4629 -4.4302 -4.4054 -4.3898 -4.3464 -4.3121 -4.2995 -4.2737 -4.2563 -4.2441 -4.2399 -4.2112 -4.1761 -4.1570 -4.1500 -4.1092 -4.0905 -4.0665 -4.0505 -4.0312 -4.0199 -4.0076 -3.9924 -3.9247 -3.8863 -3.8780 -3.8635 -3.8486 -3.8326 -3.8222 -3.8208 -3.7992 -3.7811 -3.7687 -3.7526 -3.7483 -3.7268 -3.7161 -3.7134 -3.7025 -3.6839 -3.6739 -3.6639 -3.6489 -3.6348 -3.6241 -3.6050 -3.5966 -3.5819 -3.5664 -3.5448 -3.5271 -3.5257 -3.5132 -3.4927 -3.4823 -3.4573 -3.4415 -3.4280 -3.4211 -3.4028 -3.3698 -3.3474 -3.3248 -3.3024 -3.2785 -3.2747 -3.2529 -3.2393 -3.2295 -3.2125 -3.1895 -3.1668 -3.1507 -3.1432 -3.1341 -3.1271 -3.1173 -3.1123 -3.0782 -3.0573 -3.0427 -3.0317 -3.0275 -3.0059 -2.9944 -2.9818 -2.9628 -2.9484 -2.9370 -2.9164 -2.9012 -2.8869 -2.8745 -2.8642 -2.8450 -2.8197 -2.7930 -2.7849 -2.7730 -2.7591 -2.7482 -2.7320 -2.7268 -2.7134 -2.7040 -2.6805 -2.6754 -2.6622 -2.6554 -2.6444 -2.6391 -2.6289 -2.6027 -2.5812 -2.5719 -2.5644 -2.5556 -2.5447 -2.5279 -2.5267 -2.5217 -2.5159 -2.4941 -2.4894 -2.4684 -2.4605 -2.4386 -2.4293 -2.4193 -2.3889 -2.3783 -2.3348 -2.3282 -2.3149 -2.3088 -2.2935 -2.2911 -2.2570 -2.2300 -2.2254 -2.2190 -2.1763 -2.1203 -2.0271 -2.0151 -1.9605 -1.5820 -1.4310 -1.4065 -1.1314 -0.8830 -0.6802 -0.6245 -0.5475 -0.1365 -0.0759 0.0249 0.1092 0.4070 0.4901 0.8351 1.0356 1.1890 1.2669 1.3699 1.5069 1.6203 1.6827 1.7526 1.9483 2.0889 2.5202 2.5972 2.6920 2.8247 2.8826 3.1836 3.3350 3.4419 3.5056 3.5555 3.6543 3.7678 4.0225 4.2143 4.2927 4.3786 4.4398 4.4941 4.5775 4.6729 4.8373 4.9874 5.0800 5.1801 5.4190 -25.0128 -24.5855 -24.5533 -24.5416 -24.3983 -11.0531 -10.8966 -10.6541 -10.4904 -10.3552 -8.8916 -8.8551 -8.3165 -8.2179 -8.2148 -8.0931 -8.0329 -7.9704 -7.9120 -7.7379 -7.6505 -7.5373 -7.4367 -7.3946 -7.2758 -7.0985 -7.0713 -6.8819 -6.7786 -6.5748 -6.5540 -6.5303 -6.4943 -5.6927 -5.6312 -5.6104 -5.5907 -5.5720 -5.5298 -5.4097 -5.3031 -5.2715 -5.2212 -5.2076 -5.1889 -5.1621 -5.1446 -5.0062 -4.9787 -4.9243 -4.9090 -4.8974 -4.8836 -4.8743 -4.8701 -4.8477 -4.8350 -4.8253 -4.8185 -4.8101 -4.7912 -4.6211 -4.6189 -4.6029 -4.5885 -4.5684 -4.5624 -4.5483 -4.5301 -4.4986 -4.4813 -4.4765 -4.4688 -4.4499 -4.4244 -4.3238 -4.3016 -4.2872 -4.2803 -4.2647 -4.2486 -4.2392 -4.2141 -4.1897 -4.1700 -4.1475 -4.1301 -4.1230 -4.0996 -4.0755 -4.0690 -4.0554 -4.0402 -3.9884 -3.9588 -3.9444 -3.9391 -3.9176 -3.9054 -3.8660 -3.8534 -3.8309 -3.8145 -3.7930 -3.7620 -3.7446 -3.7169 -3.7110 -3.7026 -3.6952 -3.6872 -3.6674 -3.6617 -3.6502 -3.6466 -3.6412 -3.6307 -3.6267 -3.6121 -3.6005 -3.5866 -3.5672 -3.5590 -3.5463 -3.5217 -3.5105 -3.4852 -3.4625 -3.4566 -3.4494 -3.4315 -3.4047 -3.3735 -3.3440 -3.3235 -3.3150 -3.3000 -3.2844 -3.2813 -3.2730 -3.2601 -3.2420 -3.2383 -3.1977 -3.1825 -3.1686 -3.1486 -3.1333 -3.1265 -3.1078 -3.0934 -3.0765 -3.0560 -3.0372 -3.0138 -3.0117 -2.9969 -2.9895 -2.9534 -2.9366 -2.9278 -2.9168 -2.8952 -2.8900 -2.8739 -2.8364 -2.8155 -2.8118 -2.7968 -2.7904 -2.7712 -2.7600 -2.7431 -2.7244 -2.7160 -2.7086 -2.7019 -2.6906 -2.6808 -2.6708 -2.6631 -2.6397 -2.6337 -2.6172 -2.6130 -2.6112 -2.6054 -2.5914 -2.5689 -2.5511 -2.5442 -2.5421 -2.5366 -2.5336 -2.4477 -2.4445 -2.4272 -2.4230 -2.4209 -2.4140 -2.3916 -2.3728 -2.3529 -2.3481 -2.3442 -2.3204 -2.3169 -2.2946 -2.2787 -2.2375 -2.2354 -2.1683 -2.1613 -2.0740 -1.8358 -1.7407 -1.6681 -1.5684 -1.4732 -1.3279 -1.2915 -1.0167 -1.0020 -0.7690 -0.7183 -0.1343 -0.0660 0.0831 0.2530 0.4742 0.6291 0.7683 0.7750 0.7977 0.8361 0.8823 1.1083 1.1762 1.2602 1.5612 1.6122 1.8645 2.0714 2.3690 2.4577 2.6399 2.6993 2.7643 3.1217 3.1343 3.2854 3.3572 3.5758 3.8571 3.8731 3.9491 3.9768 4.0557 4.0585 4.2208 4.4389 4.5236 4.7209 4.7292 4.7870 5.0255 5.1399 5.2150 -25.0131 -24.5807 -24.5528 -24.5470 -24.3978 -11.1369 -10.7652 -10.6880 -10.4828 -10.3792 -9.2778 -8.4228 -8.3811 -8.2264 -8.1515 -8.0853 -8.0020 -7.9084 -7.8394 -7.7011 -7.6695 -7.5609 -7.4509 -7.3748 -7.2322 -7.1625 -7.1187 -7.0437 -6.8817 -6.8722 -6.4195 -6.1504 -6.0562 -6.0474 -5.8576 -5.8003 -5.6829 -5.5850 -5.4279 -5.3746 -5.3710 -5.2210 -5.2144 -5.1932 -5.1256 -5.0604 -5.0529 -5.0267 -5.0019 -4.9686 -4.9318 -4.9056 -4.8975 -4.8499 -4.8326 -4.8115 -4.7860 -4.7708 -4.7495 -4.7346 -4.7202 -4.7016 -4.6946 -4.6874 -4.6766 -4.6568 -4.5805 -4.5691 -4.5424 -4.5240 -4.4824 -4.4629 -4.4153 -4.3999 -4.3626 -4.3457 -4.3114 -4.2944 -4.2783 -4.2641 -4.2472 -4.2373 -4.2083 -4.2030 -4.1574 -4.1312 -4.1017 -4.0893 -4.0597 -4.0461 -4.0307 -4.0149 -4.0072 -3.9299 -3.9139 -3.8856 -3.8774 -3.8578 -3.8475 -3.8409 -3.8328 -3.8020 -3.7971 -3.7862 -3.7653 -3.7498 -3.7464 -3.7371 -3.7279 -3.7164 -3.7027 -3.6860 -3.6693 -3.6487 -3.6408 -3.6341 -3.6174 -3.6136 -3.6029 -3.5822 -3.5669 -3.5642 -3.5366 -3.5260 -3.5197 -3.4889 -3.4848 -3.4673 -3.4400 -3.4373 -3.4242 -3.3930 -3.3820 -3.3637 -3.3129 -3.3026 -3.2907 -3.2750 -3.2626 -3.2427 -3.2280 -3.2120 -3.1925 -3.1682 -3.1623 -3.1555 -3.1390 -3.1314 -3.1242 -3.1044 -3.0919 -3.0726 -3.0518 -3.0329 -3.0299 -3.0094 -2.9907 -2.9825 -2.9565 -2.9465 -2.9339 -2.9090 -2.8919 -2.8862 -2.8779 -2.8679 -2.8273 -2.8152 -2.7925 -2.7852 -2.7747 -2.7613 -2.7514 -2.7451 -2.7250 -2.7160 -2.7079 -2.6920 -2.6721 -2.6588 -2.6473 -2.6419 -2.6362 -2.6130 -2.5980 -2.5824 -2.5685 -2.5625 -2.5524 -2.5424 -2.5295 -2.5247 -2.5207 -2.5063 -2.4978 -2.4882 -2.4701 -2.4642 -2.4403 -2.4260 -2.4179 -2.4070 -2.3852 -2.3465 -2.3323 -2.3116 -2.3045 -2.2961 -2.2911 -2.2569 -2.2328 -2.2262 -2.2227 -2.1666 -2.1275 -2.0500 -1.9898 -1.9442 -1.5840 -1.4462 -1.3788 -1.1245 -0.8663 -0.7542 -0.6396 -0.4063 -0.2037 -0.0492 -0.0295 0.1397 0.4140 0.4657 0.8487 1.0574 1.1604 1.2631 1.3124 1.4317 1.5903 1.6946 1.8522 1.9648 2.0064 2.5111 2.6193 2.7201 2.8445 2.9280 3.1245 3.3035 3.4384 3.5460 3.5841 3.6816 3.8272 4.0246 4.1942 4.2815 4.3508 4.4836 4.5153 4.5835 4.7009 4.8126 4.9953 5.0419 5.3109 5.4093 -25.0130 -24.5811 -24.5532 -24.5467 -24.3975 -11.0878 -10.7735 -10.7151 -10.5525 -10.3223 -9.1370 -8.3802 -8.3411 -8.3111 -8.2181 -8.0423 -7.9658 -7.9262 -7.7463 -7.7249 -7.6799 -7.6530 -7.5369 -7.4996 -7.3680 -7.2203 -7.1437 -7.0472 -7.0205 -6.7364 -6.3159 -6.2716 -6.0436 -6.0203 -5.6139 -5.5764 -5.5605 -5.5218 -5.4802 -5.4513 -5.3627 -5.3385 -5.2109 -5.1267 -5.0815 -5.0694 -5.0491 -5.0413 -4.9910 -4.9601 -4.9281 -4.9139 -4.8916 -4.8696 -4.8547 -4.8433 -4.8297 -4.8189 -4.8129 -4.7595 -4.7357 -4.7066 -4.6645 -4.6485 -4.6461 -4.6015 -4.5974 -4.5674 -4.5485 -4.4947 -4.4667 -4.4371 -4.4113 -4.3905 -4.3665 -4.3393 -4.3308 -4.3224 -4.3131 -4.3071 -4.2828 -4.2459 -4.1925 -4.1825 -4.1745 -4.1233 -4.1140 -4.0946 -4.0858 -4.0743 -4.0532 -4.0352 -3.9756 -3.9522 -3.9411 -3.9270 -3.9080 -3.8888 -3.8819 -3.8735 -3.8489 -3.8364 -3.8163 -3.8082 -3.7953 -3.7713 -3.7594 -3.7464 -3.7369 -3.7259 -3.7022 -3.6876 -3.6766 -3.6732 -3.6595 -3.6382 -3.6285 -3.6149 -3.6025 -3.5907 -3.5698 -3.5623 -3.5504 -3.5385 -3.5266 -3.5185 -3.4987 -3.4857 -3.4663 -3.4454 -3.4325 -3.3906 -3.3631 -3.3490 -3.3309 -3.3185 -3.2982 -3.2858 -3.2790 -3.2600 -3.2435 -3.2215 -3.2029 -3.1854 -3.1785 -3.1553 -3.1426 -3.1327 -3.1193 -3.1069 -3.1012 -3.0835 -3.0779 -3.0499 -3.0292 -3.0193 -3.0091 -3.0044 -2.9995 -2.9885 -2.9628 -2.9452 -2.9274 -2.9170 -2.8959 -2.8740 -2.8643 -2.8359 -2.8167 -2.8001 -2.7963 -2.7839 -2.7680 -2.7627 -2.7568 -2.7328 -2.7169 -2.7082 -2.6806 -2.6695 -2.6509 -2.6365 -2.6227 -2.6124 -2.5841 -2.5700 -2.5601 -2.5478 -2.5251 -2.5108 -2.4967 -2.4856 -2.4804 -2.4756 -2.4597 -2.4491 -2.4442 -2.4382 -2.4174 -2.3742 -2.3606 -2.3555 -2.3494 -2.3387 -2.3355 -2.3040 -2.2984 -2.2898 -2.2801 -2.2342 -2.2127 -2.0687 -2.0456 -1.9720 -1.9211 -1.8730 -1.7750 -1.6768 -1.5084 -1.3739 -1.1346 -1.0680 -0.9700 -0.6905 -0.4433 -0.3079 -0.1717 0.0959 0.2706 0.3171 0.4056 0.4952 0.5930 0.6736 0.7263 0.9715 1.3706 1.4727 1.7483 1.8386 1.9376 1.9787 2.0112 2.0501 2.1566 2.3541 2.4986 2.5869 2.6648 2.9457 2.9724 3.1876 3.4652 3.7391 3.7894 3.8963 4.1974 4.3791 4.4398 4.5634 4.7013 4.7722 4.9418 4.9961 5.0609 5.2434 5.3077 5.4708 -25.0128 -24.5812 -24.5543 -24.5461 -24.3971 -11.0022 -10.8652 -10.7021 -10.5838 -10.2968 -8.7663 -8.7349 -8.3071 -8.2191 -8.1582 -8.1423 -8.0352 -7.9739 -7.8993 -7.7386 -7.6482 -7.5790 -7.4418 -7.4068 -7.3538 -7.3200 -7.2671 -7.1248 -7.0217 -6.7689 -6.6804 -6.0051 -5.9910 -5.7704 -5.7552 -5.5946 -5.5268 -5.3687 -5.3591 -5.3361 -5.3116 -5.2687 -5.2186 -5.1803 -5.1234 -5.1195 -5.0634 -4.9934 -4.9766 -4.9598 -4.9526 -4.9380 -4.9259 -4.9142 -4.8995 -4.8726 -4.8616 -4.8297 -4.8150 -4.7782 -4.7058 -4.7031 -4.6692 -4.6538 -4.6139 -4.5699 -4.5545 -4.5473 -4.5400 -4.5263 -4.5070 -4.4632 -4.4425 -4.4023 -4.3786 -4.3650 -4.3600 -4.3376 -4.2964 -4.2573 -4.2377 -4.2289 -4.1984 -4.1827 -4.1652 -4.1420 -4.1178 -4.1115 -4.0936 -4.0834 -4.0624 -4.0398 -4.0205 -4.0078 -3.9935 -3.9774 -3.9693 -3.9363 -3.9219 -3.8903 -3.8850 -3.8689 -3.8364 -3.8198 -3.7956 -3.7762 -3.7592 -3.7442 -3.7326 -3.7186 -3.7061 -3.6882 -3.6756 -3.6709 -3.6551 -3.6341 -3.6229 -3.6071 -3.5936 -3.5926 -3.5885 -3.5828 -3.5758 -3.5636 -3.5368 -3.5254 -3.5101 -3.5058 -3.4503 -3.4414 -3.4077 -3.3905 -3.3736 -3.3577 -3.3443 -3.3307 -3.3184 -3.3090 -3.3002 -3.2869 -3.2684 -3.2559 -3.2385 -3.2238 -3.1972 -3.1808 -3.1695 -3.1573 -3.1471 -3.1237 -3.0878 -3.0801 -3.0677 -3.0589 -3.0448 -3.0326 -3.0255 -3.0137 -3.0069 -3.0055 -2.9971 -2.9801 -2.9594 -2.9279 -2.9083 -2.8842 -2.8574 -2.8265 -2.8140 -2.8084 -2.7916 -2.7861 -2.7662 -2.7561 -2.7327 -2.7100 -2.7031 -2.6956 -2.6832 -2.6582 -2.6522 -2.6326 -2.6201 -2.5947 -2.5788 -2.5633 -2.5478 -2.5353 -2.5249 -2.5153 -2.5074 -2.4997 -2.4902 -2.4769 -2.4508 -2.4337 -2.4049 -2.3982 -2.3897 -2.3781 -2.3700 -2.3595 -2.3384 -2.3320 -2.3248 -2.3033 -2.2945 -2.2670 -2.2596 -2.2473 -2.0839 -1.9738 -1.9585 -1.8021 -1.7266 -1.5634 -1.4980 -1.3672 -1.2613 -1.1047 -1.0684 -0.8434 -0.6480 -0.6196 -0.5047 -0.3028 -0.2508 -0.1287 0.0882 0.1573 0.3203 0.4501 0.6009 0.9089 1.0213 1.0673 1.1482 1.1758 1.2365 1.3680 1.6092 1.7176 1.9726 2.0635 2.1390 2.2695 2.3423 2.4571 2.5303 2.8220 3.1833 3.2748 3.3565 3.4578 3.6466 3.8146 4.1241 4.2113 4.2607 4.5299 4.7805 4.8752 4.9272 4.9502 5.0621 5.1117 5.3398 5.3750 -25.0130 -24.5808 -24.5540 -24.5463 -24.3975 -11.0859 -10.7818 -10.7209 -10.5292 -10.3334 -9.1382 -8.3776 -8.3327 -8.3182 -8.1825 -8.0885 -7.9857 -7.8999 -7.7840 -7.7260 -7.6839 -7.6213 -7.5479 -7.4348 -7.3602 -7.2934 -7.1304 -7.0369 -7.0166 -6.7392 -6.3324 -6.2556 -6.0400 -6.0245 -5.6098 -5.5840 -5.5540 -5.5266 -5.4753 -5.4511 -5.3638 -5.3388 -5.2098 -5.1285 -5.0807 -5.0628 -5.0489 -5.0409 -4.9996 -4.9556 -4.9413 -4.9095 -4.8898 -4.8656 -4.8589 -4.8461 -4.8303 -4.8212 -4.8068 -4.7654 -4.7338 -4.7027 -4.6639 -4.6477 -4.6376 -4.6106 -4.5974 -4.5652 -4.5426 -4.5001 -4.4862 -4.4293 -4.4036 -4.3929 -4.3543 -4.3502 -4.3295 -4.3246 -4.3146 -4.3053 -4.2833 -4.2403 -4.1974 -4.1869 -4.1749 -4.1262 -4.1056 -4.0926 -4.0865 -4.0745 -4.0552 -4.0113 -3.9842 -3.9697 -3.9404 -3.9227 -3.9060 -3.9004 -3.8835 -3.8741 -3.8591 -3.8264 -3.8218 -3.8059 -3.7865 -3.7737 -3.7536 -3.7497 -3.7260 -3.7199 -3.7093 -3.6892 -3.6806 -3.6709 -3.6534 -3.6383 -3.6273 -3.6116 -3.6078 -3.5925 -3.5718 -3.5537 -3.5518 -3.5396 -3.5303 -3.5198 -3.4986 -3.4868 -3.4630 -3.4488 -3.4142 -3.3798 -3.3686 -3.3537 -3.3399 -3.3238 -3.3022 -3.2897 -3.2698 -3.2553 -3.2453 -3.2207 -3.2084 -3.1854 -3.1748 -3.1522 -3.1467 -3.1328 -3.1219 -3.1154 -3.1052 -3.0815 -3.0747 -3.0475 -3.0313 -3.0216 -3.0111 -3.0052 -2.9970 -2.9800 -2.9697 -2.9428 -2.9356 -2.9101 -2.8863 -2.8790 -2.8559 -2.8287 -2.8196 -2.8028 -2.7946 -2.7901 -2.7775 -2.7617 -2.7519 -2.7364 -2.7162 -2.7057 -2.6870 -2.6700 -2.6508 -2.6359 -2.6219 -2.6138 -2.5810 -2.5749 -2.5596 -2.5501 -2.5138 -2.5080 -2.4937 -2.4871 -2.4788 -2.4768 -2.4632 -2.4477 -2.4435 -2.4368 -2.4180 -2.3751 -2.3623 -2.3548 -2.3511 -2.3401 -2.3313 -2.3104 -2.2969 -2.2904 -2.2795 -2.2308 -2.2134 -2.0670 -2.0462 -1.9549 -1.9240 -1.8838 -1.7491 -1.6836 -1.5503 -1.3876 -1.1409 -1.0708 -0.8969 -0.7242 -0.4790 -0.2600 -0.1579 0.0895 0.2171 0.3072 0.3846 0.4969 0.6170 0.6462 0.8197 0.9863 1.3098 1.4224 1.7696 1.8386 1.9355 1.9827 2.0539 2.0866 2.1888 2.3024 2.4255 2.6397 2.6854 2.9524 2.9772 3.1813 3.4542 3.6997 3.7896 3.9262 4.1955 4.3674 4.4318 4.5467 4.7278 4.8519 4.8895 5.0074 5.0991 5.1801 5.3159 5.5225 -25.0130 -24.5744 -24.5603 -24.5470 -24.3969 -11.0081 -10.9260 -10.6834 -10.4743 -10.3610 -8.8992 -8.8459 -8.2345 -8.2217 -8.1977 -8.1520 -8.0240 -8.0048 -7.9616 -7.7023 -7.6288 -7.5412 -7.4668 -7.4386 -7.2365 -7.1486 -7.0224 -6.8926 -6.8118 -6.5656 -6.5408 -6.5088 -6.4858 -5.6846 -5.6332 -5.6131 -5.5677 -5.5413 -5.5141 -5.4411 -5.3243 -5.2607 -5.2315 -5.2115 -5.1993 -5.1700 -5.1378 -5.0769 -4.9775 -4.9244 -4.9128 -4.9056 -4.8989 -4.8819 -4.8693 -4.8644 -4.8479 -4.8244 -4.8074 -4.7937 -4.7538 -4.6201 -4.6011 -4.5956 -4.5868 -4.5686 -4.5600 -4.5527 -4.5268 -4.5092 -4.4813 -4.4709 -4.4559 -4.4186 -4.3951 -4.3052 -4.2886 -4.2769 -4.2676 -4.2603 -4.2507 -4.2333 -4.2038 -4.1760 -4.1645 -4.1435 -4.1219 -4.1140 -4.0967 -4.0834 -4.0548 -4.0459 -4.0392 -4.0027 -3.9703 -3.9598 -3.9501 -3.9303 -3.8865 -3.8693 -3.8463 -3.8244 -3.7965 -3.7706 -3.7647 -3.7409 -3.7269 -3.7154 -3.7083 -3.6960 -3.6835 -3.6731 -3.6597 -3.6496 -3.6427 -3.6358 -3.6328 -3.6211 -3.6061 -3.6012 -3.5857 -3.5737 -3.5579 -3.5472 -3.5317 -3.5200 -3.5008 -3.4776 -3.4648 -3.4428 -3.4299 -3.3875 -3.3709 -3.3531 -3.3264 -3.3222 -3.3040 -3.2904 -3.2808 -3.2754 -3.2548 -3.2400 -3.2285 -3.2198 -3.2026 -3.1769 -3.1440 -3.1372 -3.1257 -3.1106 -3.0878 -3.0683 -3.0547 -3.0396 -3.0206 -3.0104 -3.0009 -2.9941 -2.9785 -2.9637 -2.9374 -2.9162 -2.9110 -2.8923 -2.8599 -2.8410 -2.8088 -2.8062 -2.8018 -2.7891 -2.7715 -2.7598 -2.7385 -2.7212 -2.7199 -2.7114 -2.7033 -2.6761 -2.6718 -2.6667 -2.6574 -2.6407 -2.6370 -2.6187 -2.6140 -2.6098 -2.6060 -2.5951 -2.5609 -2.5567 -2.5430 -2.5392 -2.5374 -2.5358 -2.4568 -2.4442 -2.4311 -2.4229 -2.4194 -2.4115 -2.3993 -2.3709 -2.3524 -2.3479 -2.3444 -2.3211 -2.3173 -2.3019 -2.2975 -2.2375 -2.2345 -2.1680 -2.1599 -2.0745 -1.8993 -1.7545 -1.6367 -1.6182 -1.5097 -1.3248 -1.1010 -0.9847 -0.9740 -0.7689 -0.6278 -0.1966 -0.1535 0.0545 0.1315 0.4794 0.6324 0.7265 0.8059 0.8251 0.8639 0.9274 1.0363 1.2006 1.3270 1.4473 1.6125 1.8970 1.9725 2.3662 2.4196 2.5583 2.6790 2.9476 3.1372 3.2000 3.3124 3.3772 3.6129 3.8370 3.9038 3.9216 3.9793 4.0598 4.0651 4.2369 4.4167 4.5954 4.6469 4.7524 4.8004 5.1103 5.2196 5.2754 -25.0129 -24.5744 -24.5596 -24.5482 -24.3964 -10.9691 -10.8903 -10.7211 -10.5731 -10.2982 -8.7750 -8.7240 -8.2646 -8.2262 -8.1664 -8.1353 -8.0609 -8.0025 -7.9007 -7.7197 -7.6456 -7.5827 -7.4685 -7.4011 -7.3486 -7.3218 -7.2556 -7.1279 -7.0094 -6.7776 -6.7024 -6.0017 -5.9604 -5.7652 -5.7435 -5.5809 -5.5311 -5.3900 -5.3616 -5.3358 -5.3202 -5.2803 -5.2130 -5.1769 -5.1289 -5.1146 -5.0632 -5.0222 -4.9867 -4.9638 -4.9528 -4.9424 -4.9260 -4.9181 -4.8999 -4.8682 -4.8518 -4.8448 -4.8245 -4.7679 -4.7076 -4.7017 -4.6875 -4.6490 -4.5757 -4.5680 -4.5551 -4.5379 -4.5288 -4.5116 -4.4832 -4.4668 -4.4427 -4.4064 -4.3817 -4.3730 -4.3462 -4.3399 -4.2675 -4.2631 -4.2488 -4.2140 -4.1919 -4.1809 -4.1675 -4.1373 -4.1129 -4.1023 -4.0895 -4.0805 -4.0613 -4.0500 -4.0283 -4.0045 -3.9908 -3.9829 -3.9700 -3.9482 -3.9154 -3.8918 -3.8682 -3.8640 -3.8389 -3.8241 -3.8025 -3.7771 -3.7667 -3.7499 -3.7277 -3.7137 -3.7023 -3.6883 -3.6808 -3.6643 -3.6534 -3.6417 -3.6317 -3.6108 -3.6027 -3.5945 -3.5861 -3.5831 -3.5747 -3.5621 -3.5385 -3.5181 -3.5021 -3.4886 -3.4562 -3.4335 -3.4256 -3.3993 -3.3760 -3.3523 -3.3434 -3.3351 -3.3269 -3.3132 -3.3027 -3.2932 -3.2728 -3.2555 -3.2391 -3.2167 -3.1943 -3.1831 -3.1733 -3.1627 -3.1380 -3.1062 -3.0935 -3.0781 -3.0661 -3.0621 -3.0499 -3.0395 -3.0290 -3.0213 -3.0097 -3.0063 -2.9992 -2.9856 -2.9700 -2.9216 -2.9019 -2.8796 -2.8598 -2.8265 -2.8100 -2.8043 -2.7934 -2.7770 -2.7643 -2.7525 -2.7334 -2.7175 -2.7035 -2.6982 -2.6864 -2.6598 -2.6431 -2.6249 -2.6107 -2.5970 -2.5768 -2.5664 -2.5514 -2.5435 -2.5273 -2.5234 -2.5184 -2.5048 -2.4848 -2.4739 -2.4533 -2.4322 -2.4049 -2.3992 -2.3867 -2.3750 -2.3694 -2.3592 -2.3388 -2.3309 -2.3237 -2.3009 -2.2819 -2.2640 -2.2589 -2.2434 -2.0835 -2.0252 -1.9576 -1.8204 -1.7697 -1.5129 -1.4643 -1.3981 -1.3026 -1.0865 -1.0392 -0.8439 -0.6424 -0.5473 -0.4936 -0.3768 -0.1622 -0.0913 0.0703 0.1549 0.2455 0.3546 0.6675 0.8314 1.0385 1.0715 1.1502 1.1896 1.2437 1.3735 1.5878 1.6794 1.9489 2.0600 2.2050 2.2718 2.3257 2.4882 2.5316 2.7895 3.1891 3.2753 3.3585 3.4368 3.6723 3.8242 4.1831 4.2114 4.3432 4.5168 4.7618 4.8326 4.9455 4.9482 5.0050 5.1585 5.4294 5.5253 -25.0127 -24.5747 -24.5586 -24.5498 -24.3960 -10.9085 -10.8385 -10.7776 -10.6634 -10.2628 -8.4880 -8.4738 -8.4421 -8.4222 -8.1012 -8.0232 -7.9499 -7.9186 -7.8826 -7.8771 -7.8172 -7.7239 -7.6457 -7.5862 -7.5190 -7.3576 -7.2363 -7.1566 -7.0030 -6.5104 -6.4249 -6.4028 -6.3761 -5.4112 -5.3905 -5.3740 -5.3667 -5.3582 -5.3247 -5.2901 -5.2858 -5.2738 -5.2702 -5.1523 -5.1033 -5.0845 -5.0417 -4.9970 -4.9802 -4.9539 -4.9264 -4.9189 -4.9146 -4.9098 -4.8927 -4.8850 -4.8713 -4.8630 -4.8511 -4.8365 -4.8034 -4.8012 -4.7295 -4.7022 -4.6999 -4.6553 -4.5840 -4.5064 -4.4975 -4.4920 -4.4765 -4.4637 -4.4556 -4.4382 -4.3777 -4.3554 -4.3110 -4.2958 -4.2780 -4.2542 -4.2347 -4.2218 -4.2023 -4.1716 -4.1595 -4.1433 -4.1405 -4.1351 -4.1179 -4.1025 -4.0876 -4.0670 -4.0465 -4.0131 -4.0024 -3.9750 -3.9578 -3.9222 -3.9069 -3.8896 -3.8753 -3.8598 -3.8497 -3.8459 -3.8379 -3.8327 -3.8157 -3.8108 -3.8016 -3.7800 -3.7649 -3.7505 -3.7373 -3.7108 -3.6734 -3.6569 -3.6475 -3.6122 -3.6085 -3.5955 -3.5663 -3.5215 -3.5206 -3.5020 -3.4888 -3.4740 -3.4678 -3.4654 -3.4561 -3.4468 -3.4346 -3.4197 -3.4055 -3.3784 -3.3567 -3.3424 -3.3378 -3.3262 -3.3155 -3.3066 -3.2885 -3.2588 -3.2542 -3.2532 -3.2320 -3.2195 -3.2002 -3.1833 -3.1797 -3.1710 -3.1604 -3.1460 -3.1153 -3.1003 -3.0777 -3.0734 -3.0679 -3.0382 -3.0043 -2.9944 -2.9755 -2.9602 -2.9527 -2.9427 -2.9215 -2.8926 -2.8673 -2.8387 -2.8310 -2.8136 -2.7859 -2.7651 -2.7552 -2.7481 -2.7264 -2.6908 -2.6780 -2.6603 -2.6545 -2.6456 -2.6315 -2.6272 -2.6041 -2.5939 -2.5742 -2.5660 -2.5575 -2.5541 -2.5352 -2.5182 -2.5122 -2.5086 -2.4921 -2.4874 -2.4843 -2.4718 -2.3696 -2.3334 -2.3326 -2.3284 -2.3233 -2.3225 -2.3125 -2.3106 -2.2995 -2.2391 -2.2332 -2.2254 -2.2075 -2.1990 -2.1759 -2.1587 -1.8399 -1.3684 -1.2477 -1.2211 -1.1435 -0.8911 -0.7952 -0.6634 -0.6329 -0.6234 -0.5825 -0.5323 -0.4376 -0.3455 -0.3149 -0.3030 -0.2714 -0.1613 -0.0530 0.2025 0.2580 0.2903 0.3015 0.6308 1.0115 1.3185 1.3594 1.6100 1.6867 1.7150 1.7757 1.8858 2.0697 2.0800 2.1210 2.2333 2.2915 2.9988 3.1850 3.1929 3.2078 3.4232 3.7656 3.8905 4.2425 4.3149 4.4070 4.5900 4.6680 4.6879 4.7072 4.9633 5.1781 5.3014 5.3719 5.3965</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="2680">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00031 2.00041 2.00352 2.06936 -0.06517 -0.02570 -0.00578 -0.00010 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00001 2.00002 2.01449 1.97392 0.62842 0.25529 -0.01902 -0.00025 -0.00004 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 2.00017 2.00047 2.05908 2.06475 1.35976 0.94049 -0.00024 -0.00003 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 2.00004 2.01621 1.92292 1.24172 0.34297 -0.04656 -0.00141 -0.00002 -0.00001 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00005 2.01374 2.03597 2.07091 0.71028 -0.06279 -0.01193 -0.00064 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 2.00006 2.00100 2.02200 2.03579 1.83115 0.39677 0.22883 -0.06560 -0.01092 -0.00401 -0.00020 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 2.00003 2.01234 2.03477 2.00682 0.99013 -0.07090 -0.00485 -0.00045 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00019 2.02321 2.06947 2.07081 1.35935 0.27355 -0.00119 -0.00040 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 2.00002 2.00035 2.02842 2.04899 1.83324 0.36067 -0.01941 -0.06944 -0.03343 -0.00050 -0.00007 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -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 2.00005 2.00139 2.00255 2.01179 1.99413 1.55322 0.50221 0.30262 0.24929 0.07047 -0.04231 -0.06056 -0.02184 -0.01345 -0.01096 -0.00609 -0.00049 -0.00002 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 -0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="138"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="2"
                          units="nonsi2:ev.angstrom-1">0.030622 0.007706 0.099011 -0.006130 0.013978 0.081826 -0.022814 0.007836 0.131665 0.007540 0.002218 0.111669 -0.008106 -0.010959 0.109479 -0.001834 0.002232 0.099446 0.020275 -0.008330 0.115533 0.003948 -0.007051 0.105330 -0.021486 -0.010256 0.085558 -0.087476 -0.009413 -0.044173 0.004763 -0.050631 -0.104208 0.001884 -0.028869 -0.109870 0.001579 -0.071933 -0.065161 -0.133234 0.014876 -0.200171 0.089427 0.036721 -0.117902 0.013665 0.182392 -0.130680 -0.119209 0.060435 -0.195787 0.017830 0.001615 -0.152496 0.008084 -0.033919 0.014899 0.029374 0.019017 0.015165 -0.013042 -0.024598 0.037005 -0.007048 -0.008756 0.082472 0.008969 -0.005209 -0.000194 0.032213 -0.038709 0.035217 0.041235 -0.014502 0.053116 0.007716 -0.025897 0.022154 -0.024082 0.023556 0.028022 0.008259 -0.067732 -0.010975 -0.012651 -0.001255 -0.007343 -0.018341 -0.005832 -0.005768 -0.017487 0.011322 -0.143984 -0.002357 0.002740 0.006464 0.004952 -0.002026 0.003376 -0.072018 0.037034 -0.097047 0.033342 0.017010 -0.100796 -0.011206 0.021178 0.006173 -0.003096 -0.027590 -0.001379 -0.000471 -0.022297 -0.039228 -0.006310 -0.011998 -0.046825 0.148028 -0.056208 0.190140 0.034533 -0.011664 0.070874 0.040273 -0.002380 0.123986 0.007937 -0.010387 0.040022 0.012205 -0.001312 0.021517 -0.012701 0.086918 -0.113041 -0.007558 0.020930 -0.003092 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000 0.000000000</matrix>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-204.79427416</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-204.78670370</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-204.79175067</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-0.7254</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3246576E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.646452752699907</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.646452752699907</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.406858593456647</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.27440879"
                        xFract="0.16666667"
                        y3="1.27440879"
                        yFract="0.16666667"
                        z3="10.0000"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.82322638"
                        xFract="0.5000"
                        y3="1.27440879"
                        yFract="0.16666667"
                        z3="10.0000"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.37204396"
                        xFract="0.83333333"
                        y3="1.27440879"
                        yFract="0.16666667"
                        z3="10.0000"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="1.27440879"
                        xFract="0.16666667"
                        y3="3.82322638"
                        yFract="0.5000"
                        z3="10.0000"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.82322638"
                        xFract="0.5000"
                        y3="3.82322638"
                        yFract="0.5000"
                        z3="10.0000"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="6.37204396"
                        xFract="0.83333333"
                        y3="3.82322638"
                        yFract="0.5000"
                        z3="10.0000"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="1.27440879"
                        xFract="0.16666667"
                        y3="6.37204396"
                        yFract="0.83333333"
                        z3="10.0000"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="3.82322638"
                        xFract="0.5000"
                        y3="6.37204396"
                        yFract="0.83333333"
                        z3="10.0000"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.37204396"
                        xFract="0.83333333"
                        y3="6.37204396"
                        yFract="0.83333333"
                        z3="10.0000"
                        zFract="0.39359451"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="11.8022862"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.54881758"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="11.8022862"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.09763517"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="11.8022862"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.54881758"
                        yFract="0.33333333"
                        z3="11.8022862"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="2.54881758"
                        xFract="0.33333333"
                        y3="2.54881758"
                        yFract="0.33333333"
                        z3="11.8022862"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="5.09763517"
                        xFract="0.66666667"
                        y3="2.54881758"
                        yFract="0.33333333"
                        z3="11.8022862"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.09763517"
                        yFract="0.66666667"
                        z3="11.8022862"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.54881758"
                        xFract="0.33333333"
                        y3="5.09763517"
                        yFract="0.66666667"
                        z3="11.8022862"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="5.09763517"
                        xFract="0.66666667"
                        y3="5.09763517"
                        yFract="0.66666667"
                        z3="11.8022862"
                        zFract="0.4645315"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.27468658"
                        xFract="0.166703"
                        y3="1.2496"
                        yFract="0.16342218"
                        z3="13.61776107"
                        zFract="0.5359876"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.83952206"
                        xFract="0.50213114"
                        y3="1.27736077"
                        yFract="0.16705273"
                        z3="13.59042465"
                        zFract="0.53491165"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.36916568"
                        xFract="0.83295691"
                        y3="1.2562311"
                        yFract="0.1642894"
                        z3="13.6752151"
                        zFract="0.53824896"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="1.25426896"
                        xFract="0.16403279"
                        y3="3.8607343"
                        yFract="0.50490527"
                        z3="13.64813832"
                        zFract="0.53718323"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="3.80435568"
                        xFract="0.4975321"
                        y3="3.82002975"
                        yFract="0.49958195"
                        z3="13.60352679"
                        zFract="0.53542734"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.39822007"
                        xFract="0.83675663"
                        y3="3.82607254"
                        yFract="0.50037222"
                        z3="13.61111941"
                        zFract="0.53572618"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.28178885"
                        xFract="0.16763183"
                        y3="6.4015248"
                        yFract="0.83718883"
                        z3="13.6678062"
                        zFract="0.53795735"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="3.81524981"
                        xFract="0.49895683"
                        y3="6.31523343"
                        yFract="0.82590367"
                        z3="13.64100279"
                        zFract="0.53690238"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.34324613"
                        xFract="0.82956716"
                        y3="6.38424564"
                        yFract="0.83492906"
                        z3="13.63388278"
                        zFract="0.53662214"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.03118068"
                        xFract="0.0040778"
                        y3="0.07184617"
                        yFract="0.00939601"
                        z3="15.66774863"
                        zFract="0.61667398"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.59263047"
                        xFract="0.33906316"
                        y3="-0.00484244"
                        yFract="-0.00063329"
                        z3="15.45622335"
                        zFract="0.60834846"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="5.0768605"
                        xFract="0.66394976"
                        y3="7.61534959"
                        yFract="0.99593234"
                        z3="15.47972595"
                        zFract="0.60927351"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="0.02266917"
                        xFract="0.00296466"
                        y3="2.60958054"
                        yFract="0.34127989"
                        z3="15.45626396"
                        zFract="0.60835006"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.54807565"
                        xFract="0.3332363"
                        y3="2.52428861"
                        yFract="0.33012544"
                        z3="15.35091763"
                        zFract="0.60420369"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="5.0836233"
                        xFract="0.6648342"
                        y3="2.52731804"
                        yFract="0.33052163"
                        z3="15.4508853"
                        zFract="0.60813836"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="7.59917443"
                        xFract="0.99381696"
                        y3="5.16306491"
                        yFract="0.67522354"
                        z3="15.47569274"
                        zFract="0.60911477"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="2.51167196"
                        xFract="0.32847544"
                        y3="5.05380883"
                        yFract="0.66093508"
                        z3="15.53318254"
                        zFract="0.61137753"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.07895458"
                        xFract="0.66422363"
                        y3="5.02001772"
                        yFract="0.65651589"
                        z3="15.48158166"
                        zFract="0.60934655"/>
                  <atom elementType="C"
                        id="a37"
                        x3="0.30309326"
                        xFract="0.03963841"
                        y3="1.64140395"
                        yFract="0.21466215"
                        z3="17.07802404"
                        zFract="0.67218165"/>
                  <atom elementType="C"
                        id="a38"
                        x3="5.19988788"
                        xFract="0.68003923"
                        y3="3.68594764"
                        yFract="0.48204674"
                        z3="17.01058065"
                        zFract="0.66952711"/>
                  <atom elementType="C"
                        id="a39"
                        x3="3.82001685"
                        xFract="0.49958026"
                        y3="0.11898744"
                        yFract="0.01556113"
                        z3="17.00547095"
                        zFract="0.669326"/>
                  <atom elementType="C"
                        id="a40"
                        x3="2.34892821"
                        xFract="0.30719188"
                        y3="4.77716276"
                        yFract="0.62475541"
                        z3="17.36997507"
                        zFract="0.68367268"/>
                  <atom elementType="C"
                        id="a41"
                        x3="7.28518559"
                        xFract="0.95275363"
                        y3="6.27987324"
                        yFract="0.82127928"
                        z3="17.04674573"
                        zFract="0.67095055"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.42941297"
                        xFract="0.05615845"
                        y3="1.62293238"
                        yFract="0.21224644"
                        z3="18.24036588"
                        zFract="0.71793078"/>
                  <atom elementType="O"
                        id="a43"
                        x3="5.29316479"
                        xFract="0.69223795"
                        y3="3.72645508"
                        yFract="0.48734429"
                        z3="18.17709803"
                        zFract="0.7154406"/>
                  <atom elementType="O"
                        id="a44"
                        x3="3.81471558"
                        xFract="0.49888696"
                        y3="0.19249664"
                        yFract="0.02517463"
                        z3="18.17510092"
                        zFract="0.71536199"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.23027109"
                        xFract="0.29167395"
                        y3="4.58679714"
                        yFract="0.59985948"
                        z3="18.50153919"
                        zFract="0.72821042"/>
                  <atom elementType="O"
                        id="a46"
                        x3="7.0844541"
                        xFract="0.92650204"
                        y3="6.25527729"
                        yFract="0.81806264"
                        z3="18.2015461"
                        zFract="0.71640286"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a11" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a15" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a19 a28" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a29" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a35" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a24 a34" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a27 a34" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a28 a37" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a31" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a29 a39" order="S"/>
                  <bond atomRefs2="a30 a36" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a37" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a33 a38" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a34 a41" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a37 a42" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
               </bondArray>
               <formula concise="C5Cu36O5">
                  <atomArray count="5 36 5" elementType="C Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2427.7065000000002</scalar>
               </property>
            </molecule>
         </module>
      </module>
   </module>
</module>
