<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.3.3</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Dez12 (build Jan 17 2013 15:17:09) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2017-10-13T04:45:45.000+02:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.900280737</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.90028073720212</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.22507023"
                        xFract="0.16666667"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="4.45014032"
                        xFract="0.33333333"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="4.45014037"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.6752106"
                        xFract="0.66666667"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.90028069"
                        xFract="0.83333333"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="2.22507018"
                        xFract="0.0000"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="4.45014041"
                        xFract="0.16666667"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.67521051"
                        xFract="0.33333333"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.67521055"
                        xFract="0.5000"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.90028078"
                        xFract="0.66666667"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="11.12535088"
                        xFract="0.83333333"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="1.48338015"
                        xFract="0.16666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="1.48338011"
                        xFract="0.0000"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.70845029"
                        xFract="0.33333333"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.93352052"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="5.93352048"
                        xFract="0.5000"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.15859066"
                        xFract="0.83333333"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.70845034"
                        xFract="0.16666667"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.70845029"
                        xFract="0.0000"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.93352048"
                        xFract="0.33333333"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.15859071"
                        xFract="0.66666667"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.15859066"
                        xFract="0.5000"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="10.38366085"
                        xFract="0.83333333"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="2.0978162"
                        zFract="0.10489081"/>
                  <atom elementType="Co"
                        id="a25"
                        x3="9.63207388"
                        xFract="0.99916839"
                        y3="1.28032278"
                        yFract="0.16610593"
                        z3="4.1495578"
                        zFract="0.20747789"/>
                  <atom elementType="Co"
                        id="a26"
                        x3="2.96781579"
                        xFract="0.33277274"
                        y3="0.01047022"
                        yFract="0.00135838"
                        z3="4.1498566"
                        zFract="0.20749283"/>
                  <atom elementType="Co"
                        id="a27"
                        x3="3.00119972"
                        xFract="0.17054148"
                        y3="2.56920755"
                        yFract="0.33332267"
                        z3="4.2084514"
                        zFract="0.21042257"/>
                  <atom elementType="Co"
                        id="a28"
                        x3="5.19721867"
                        xFract="0.49999452"
                        y3="1.29406206"
                        yFract="0.16788843"
                        z3="4.1430034"
                        zFract="0.20715017"/>
                  <atom elementType="Co"
                        id="a29"
                        x3="7.39923219"
                        xFract="0.82939703"
                        y3="0.03007842"
                        yFract="0.0039023"
                        z3="4.2084194"
                        zFract="0.21042097"/>
                  <atom elementType="Co"
                        id="a30"
                        x3="7.4057294"
                        xFract="0.66540948"
                        y3="2.56932109"
                        yFract="0.3333374"
                        z3="4.1429874"
                        zFract="0.20714937"/>
                  <atom elementType="Co"
                        id="a31"
                        x3="2.96779327"
                        xFract="0.0007981"
                        y3="5.12806543"
                        yFract="0.6653026"
                        z3="4.149795"
                        zFract="0.20748975"/>
                  <atom elementType="Co"
                        id="a32"
                        x3="5.1972537"
                        xFract="0.33457246"
                        y3="3.84422593"
                        yFract="0.49874042"
                        z3="4.1430306"
                        zFract="0.20715153"/>
                  <atom elementType="Co"
                        id="a33"
                        x3="5.2001887"
                        xFract="0.16801773"
                        y3="6.41687366"
                        yFract="0.83250941"
                        z3="4.1499582"
                        zFract="0.20749791"/>
                  <atom elementType="Co"
                        id="a34"
                        x3="7.39931946"
                        xFract="0.49998794"
                        y3="5.10831394"
                        yFract="0.66274009"
                        z3="4.2086412"
                        zFract="0.21043206"/>
                  <atom elementType="Co"
                        id="a35"
                        x3="9.63202315"
                        xFract="0.83193642"
                        y3="3.85823922"
                        yFract="0.50055847"
                        z3="4.1497446"
                        zFract="0.20748723"/>
                  <atom elementType="Co"
                        id="a36"
                        x3="9.65049239"
                        xFract="0.66722298"
                        y3="6.42940819"
                        yFract="0.83413561"
                        z3="4.1498172"
                        zFract="0.20749086"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.46388645"
                        xFract="0.00194204"
                        y3="7.70174015"
                        yFract="0.99920483"
                        z3="6.2028874"
                        zFract="0.31014437"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="2.21244456"
                        xFract="0.16585216"
                        y3="1.27533286"
                        yFract="0.16545855"
                        z3="6.2028904"
                        zFract="0.31014452"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="4.40294218"
                        xFract="0.32804044"
                        y3="2.56913394"
                        yFract="0.33331312"
                        z3="6.2906612"
                        zFract="0.31453306"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.88602053"
                        xFract="0.49998437"
                        y3="7.68341076"
                        yFract="0.99682682"
                        z3="6.174416"
                        zFract="0.3087208"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="6.69857561"
                        xFract="0.6719565"
                        y3="1.24356766"
                        yFract="0.16133741"
                        z3="6.2903434"
                        zFract="0.31451717"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="8.92816576"
                        xFract="0.83647159"
                        y3="2.56920948"
                        yFract="0.33332292"
                        z3="6.1742932"
                        zFract="0.30871466"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="11.11275605"
                        xFract="0.99799674"
                        y3="3.86300138"
                        yFract="0.5011763"
                        z3="6.2029252"
                        zFract="0.31014626"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="4.43587224"
                        xFract="0.16349365"
                        y3="5.16278075"
                        yFract="0.66980648"
                        z3="6.1744696"
                        zFract="0.30872348"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="6.67312148"
                        xFract="0.33212749"
                        y3="6.43819493"
                        yFract="0.83527558"
                        z3="6.2029072"
                        zFract="0.31014536"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="6.6988359"
                        xFract="0.49997728"
                        y3="3.89520516"
                        yFract="0.50535434"
                        z3="6.290138"
                        zFract="0.3145069"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.91406478"
                        xFract="0.66783207"
                        y3="5.14448859"
                        yFract="0.6674333"
                        z3="6.2028912"
                        zFract="0.31014456"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.12327956"
                        xFract="0.83408816"
                        y3="6.40800043"
                        yFract="0.83135822"
                        z3="6.202867"
                        zFract="0.31014335"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.93277877"
                        xFract="0.49994158"
                        y3="2.56890563"
                        yFract="0.3332835"
                        z3="7.4281856"
                        zFract="0.37140928"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a3 a10" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a17" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a26" order="S"/>
                  <bond atomRefs2="a14 a27" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a26" order="S"/>
                  <bond atomRefs2="a16 a29" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a28" order="S"/>
                  <bond atomRefs2="a17 a32" order="S"/>
                  <bond atomRefs2="a17 a30" order="S"/>
                  <bond atomRefs2="a18 a29" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a30" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a21 a34" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a32" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a35" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a49" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a49" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
               </bondArray>
               <formula concise="Co 12 Cu 36 O 1">
                  <atomArray count="12 36 1" elementType="Co Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3010.853799999998</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/12Co.36Cu.O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:25;26;27;28;29;30;31;32;33;34;35;36;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCoCoCoCoCoCoCoCoCoCoCoCoCuCuCuCuCuCuCuCuCuCuCuCuO3/rB:s1;s2;s2s3;s3s4;s5;s2s3;s3s7;s8;s3s5s6s8s9;s6s9s10;s11;s1s2;s2s7s13;s2s3s4s13s14;s4s5s15;s3s5s10s15s16;s5s6s16s17;s3s7s8s14s15s17;s8s19;s8s9s10s17s19s20;s6s10s11s17s18s21;s9s11s21s22;s11s12s22s23;s18;s13s15;s14s15s19s26;s15s16s17s26s27;s16s18s25s28;s17s18s22s25s28s29;s19s20s27;s17s19s21s27s28s30s31;s20s21s31s32;s21s22s23s30s32s33;s22s24s25s30s34;s23s24s34s35;s33;s26s27;s27s28s32s38;s36;s28s29s30s39;s25s30s35s41;s35s42;s31s32s33s37s39;s33s34s37s40s44;s30s32s34s39s41s42s44s45;s34s35s36s40s42s43s45s46;s36s40s43s47;s39s41s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</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">0.1500</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">510.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</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:lhfcalc">
                  <scalar dataType="xsd:boolean">false</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="4">PAW_PBE Cu 22Jun2005|PAW_PBE Co 02Aug2007|PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Cu Co Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">63.55 58.93 63.55 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.00 9.00 11.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">24 12 12 1</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">8.900280737 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">4.450140369 7.707869219 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 20.000000000</array>
               </module>
               <module cmlx:templateRef="grimmes" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string" dictRef="cc:elementType" size="4">Cu Co Cu O</array>
                  <array dataType="xsd:double" dictRef="v:grimmeC6" size="4">2.740 2.565 2.740 0.700</array>
                  <array dataType="xsd:double" dictRef="v:grimmeR0" size="4">1.562 1.349 1.562 1.342</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1440">-17.4210 -8.0324 -6.7941 -5.6588 -5.6587 -5.6517 -5.6363 -5.6302 -5.6301 -5.2181 -4.9083 -4.9082 -4.7263 -4.7161 -4.7160 -4.6819 -4.4044 -4.2743 -4.2742 -4.2283 -4.1221 -4.1221 -4.0698 -4.0471 -4.0470 -3.9644 -3.7026 -3.7025 -3.6958 -3.6924 -3.6923 -3.6896 -3.6412 -3.6349 -3.6348 -3.5833 -3.5790 -3.5790 -3.4444 -3.4441 -3.3494 -3.3206 -3.3120 -3.3119 -3.2853 -3.2788 -3.2787 -3.2242 -3.2201 -3.2066 -3.2065 -3.2041 -3.2041 -3.1860 -3.1860 -3.1677 -3.1676 -3.1472 -3.1371 -3.0616 -3.0616 -3.0564 -3.0268 -3.0267 -3.0204 -3.0194 -3.0193 -3.0065 -2.8925 -2.8922 -2.8698 -2.8662 -2.8662 -2.8120 -2.8119 -2.7832 -2.7367 -2.7199 -2.7198 -2.7043 -2.7041 -2.7040 -2.6388 -2.6218 -2.6218 -2.5802 -2.5800 -2.5636 -2.5613 -2.5613 -2.5210 -2.5208 -2.5028 -2.5026 -2.4900 -2.4898 -2.4843 -2.4843 -2.4803 -2.4664 -2.4641 -2.4640 -2.4449 -2.4443 -2.4443 -2.4114 -2.4114 -2.4080 -2.4051 -2.3545 -2.3202 -2.3201 -2.3169 -2.3168 -2.2976 -2.2976 -2.2886 -2.2868 -2.2780 -2.2664 -2.2663 -2.2572 -2.1918 -2.1837 -2.1837 -2.1635 -2.1635 -2.1286 -2.1257 -2.1257 -2.1243 -2.1171 -2.0850 -2.0602 -2.0600 -2.0108 -1.9942 -1.9941 -1.9896 -1.9896 -1.9843 -1.9796 -1.9738 -1.9738 -1.9494 -1.9494 -1.8867 -1.8865 -1.8755 -1.8436 -1.8196 -1.8195 -1.7925 -1.7599 -1.7598 -1.7451 -1.7402 -1.7372 -1.7371 -1.7155 -1.7087 -1.7087 -1.6102 -1.6101 -1.5925 -1.5870 -1.5870 -1.5778 -1.5778 -1.5745 -1.5504 -1.5504 -1.5395 -1.5395 -1.5388 -1.5355 -1.5281 -1.5281 -1.4723 -1.4723 -1.4489 -1.4487 -1.4019 -1.3397 -1.3396 -1.3324 -1.3324 -1.3254 -1.3218 -1.3157 -1.3157 -1.2928 -1.2908 -1.2907 -1.2786 -1.2428 -1.2373 -1.2299 -1.2296 -1.1938 -1.1937 -1.1903 -1.1903 -1.1774 -1.1774 -1.1685 -1.1623 -1.1622 -1.1580 -1.1580 -1.1567 -1.1479 -1.0998 -1.0998 -1.0873 -1.0813 -1.0812 -1.0504 -1.0392 -1.0217 -1.0208 -1.0207 -1.0206 -1.0115 -1.0114 -0.9042 -0.9042 -0.8953 -0.8920 -0.8887 -0.8887 -0.8699 -0.8560 -0.8560 -0.8468 -0.8308 -0.8308 -0.8149 -0.8074 -0.8074 -0.7917 -0.7916 -0.7834 -0.7643 -0.7641 -0.5798 -0.5797 -0.5444 -0.5444 -0.5377 -0.5273 -0.5272 -0.5266 -0.4165 -0.4164 -0.4054 -0.1710 -0.1649 -0.1610 -0.1610 0.1153 0.1330 0.1330 0.3183 0.3414 0.3417 0.6418 0.6622 0.6623 1.1100 1.5783 1.5784 1.6758 2.2046 2.2047 2.2315 2.2346 2.2347 2.2510 2.3452 2.3452 2.3650 2.6403 2.6404 3.4500 4.2732 4.2962 4.4088 -17.4208 -7.7409 -6.9011 -6.5259 -6.1349 -6.1258 -5.7687 -5.2075 -5.0996 -4.9722 -4.8823 -4.8695 -4.5475 -4.4456 -4.3388 -4.3217 -4.3118 -4.3002 -4.2129 -4.1934 -4.1335 -4.0962 -4.0303 -3.9935 -3.9923 -3.9282 -3.8902 -3.8403 -3.7943 -3.7138 -3.7002 -3.6839 -3.6657 -3.5990 -3.5881 -3.5852 -3.5752 -3.5690 -3.5584 -3.5434 -3.5073 -3.4953 -3.4572 -3.4286 -3.4193 -3.4113 -3.3626 -3.3589 -3.3299 -3.3250 -3.3079 -3.2652 -3.2048 -3.1620 -3.1508 -3.1292 -3.1249 -3.1225 -3.1013 -3.0870 -3.0817 -3.0552 -3.0269 -3.0222 -2.9738 -2.9591 -2.9543 -2.9442 -2.9011 -2.8501 -2.8324 -2.8270 -2.8158 -2.8084 -2.7891 -2.7739 -2.7296 -2.7207 -2.7134 -2.7040 -2.6969 -2.6928 -2.6373 -2.6187 -2.6109 -2.5974 -2.5725 -2.5699 -2.5439 -2.5406 -2.5124 -2.4814 -2.4783 -2.4465 -2.4297 -2.4234 -2.4094 -2.3875 -2.3807 -2.3480 -2.3420 -2.3278 -2.3243 -2.3218 -2.3200 -2.3110 -2.3098 -2.2966 -2.2948 -2.2865 -2.2751 -2.2721 -2.2628 -2.2454 -2.2428 -2.2161 -2.1931 -2.1824 -2.1726 -2.1584 -2.1502 -2.1458 -2.1330 -2.1284 -2.1191 -2.1157 -2.1146 -2.1135 -2.1023 -2.0991 -2.0926 -2.0870 -2.0671 -2.0572 -2.0405 -2.0310 -2.0222 -2.0152 -2.0086 -1.9939 -1.9823 -1.9816 -1.9702 -1.9646 -1.9580 -1.9524 -1.9443 -1.9324 -1.9173 -1.9002 -1.8889 -1.8689 -1.8605 -1.8351 -1.8309 -1.8030 -1.7766 -1.7413 -1.7303 -1.7199 -1.7097 -1.6990 -1.6883 -1.6828 -1.6725 -1.6655 -1.6411 -1.6223 -1.5993 -1.5935 -1.5718 -1.5521 -1.5413 -1.5344 -1.5294 -1.5230 -1.5023 -1.4928 -1.4872 -1.4845 -1.4520 -1.4475 -1.4378 -1.4372 -1.4098 -1.3976 -1.3893 -1.3875 -1.3859 -1.3785 -1.3740 -1.3684 -1.3626 -1.3536 -1.3429 -1.3178 -1.3005 -1.2929 -1.2868 -1.2746 -1.2539 -1.2516 -1.2439 -1.2377 -1.2286 -1.2118 -1.2046 -1.1948 -1.1827 -1.1677 -1.1561 -1.1498 -1.1438 -1.1286 -1.1119 -1.1006 -1.0842 -1.0730 -1.0416 -1.0251 -1.0190 -1.0035 -0.9949 -0.9829 -0.9735 -0.9635 -0.9532 -0.9497 -0.9338 -0.9245 -0.9024 -0.8992 -0.8778 -0.8702 -0.8654 -0.8535 -0.8459 -0.8162 -0.8067 -0.7821 -0.7712 -0.7677 -0.7530 -0.7085 -0.6875 -0.6481 -0.6178 -0.6100 -0.5564 -0.5290 -0.5167 -0.5066 -0.5022 -0.4233 -0.3403 -0.3017 -0.2156 -0.1818 -0.1670 -0.0898 -0.0045 0.0581 0.1074 0.2058 0.4271 0.5080 0.6602 0.8720 1.0603 1.1197 1.3278 1.4134 1.6703 1.7143 1.7402 1.8111 1.8945 2.0504 2.2553 2.5806 2.6777 2.7140 2.8926 3.0199 3.1706 3.2322 3.4465 3.7453 -17.4208 -7.7409 -6.9011 -6.5259 -6.1349 -6.1258 -5.7686 -5.2074 -5.0997 -4.9723 -4.8823 -4.8695 -4.5473 -4.4456 -4.3389 -4.3217 -4.3118 -4.3002 -4.2130 -4.1934 -4.1333 -4.0961 -4.0302 -3.9934 -3.9923 -3.9282 -3.8902 -3.8403 -3.7943 -3.7140 -3.7002 -3.6838 -3.6657 -3.5990 -3.5881 -3.5852 -3.5752 -3.5690 -3.5584 -3.5434 -3.5075 -3.4953 -3.4572 -3.4286 -3.4193 -3.4112 -3.3626 -3.3589 -3.3300 -3.3248 -3.3079 -3.2653 -3.2048 -3.1619 -3.1508 -3.1294 -3.1249 -3.1224 -3.1013 -3.0870 -3.0816 -3.0551 -3.0270 -3.0224 -2.9738 -2.9591 -2.9543 -2.9441 -2.9010 -2.8500 -2.8323 -2.8270 -2.8159 -2.8085 -2.7890 -2.7738 -2.7297 -2.7206 -2.7134 -2.7040 -2.6970 -2.6928 -2.6373 -2.6188 -2.6109 -2.5974 -2.5725 -2.5700 -2.5440 -2.5406 -2.5124 -2.4814 -2.4783 -2.4465 -2.4296 -2.4233 -2.4095 -2.3875 -2.3806 -2.3479 -2.3421 -2.3278 -2.3242 -2.3218 -2.3199 -2.3110 -2.3098 -2.2966 -2.2948 -2.2864 -2.2751 -2.2721 -2.2628 -2.2454 -2.2428 -2.2161 -2.1931 -2.1824 -2.1726 -2.1584 -2.1501 -2.1458 -2.1330 -2.1284 -2.1191 -2.1157 -2.1146 -2.1135 -2.1023 -2.0991 -2.0926 -2.0870 -2.0671 -2.0571 -2.0405 -2.0311 -2.0223 -2.0152 -2.0085 -1.9939 -1.9824 -1.9816 -1.9702 -1.9646 -1.9581 -1.9523 -1.9444 -1.9324 -1.9173 -1.9002 -1.8889 -1.8689 -1.8605 -1.8350 -1.8311 -1.8030 -1.7766 -1.7413 -1.7302 -1.7199 -1.7098 -1.6990 -1.6883 -1.6827 -1.6725 -1.6656 -1.6411 -1.6223 -1.5993 -1.5935 -1.5718 -1.5521 -1.5413 -1.5345 -1.5294 -1.5229 -1.5022 -1.4928 -1.4872 -1.4845 -1.4521 -1.4476 -1.4379 -1.4372 -1.4098 -1.3977 -1.3893 -1.3875 -1.3859 -1.3785 -1.3740 -1.3683 -1.3626 -1.3536 -1.3429 -1.3178 -1.3005 -1.2930 -1.2869 -1.2746 -1.2539 -1.2515 -1.2439 -1.2377 -1.2286 -1.2118 -1.2046 -1.1948 -1.1828 -1.1678 -1.1561 -1.1497 -1.1438 -1.1286 -1.1120 -1.1007 -1.0842 -1.0730 -1.0415 -1.0252 -1.0190 -1.0035 -0.9949 -0.9829 -0.9735 -0.9635 -0.9532 -0.9497 -0.9338 -0.9245 -0.9024 -0.8992 -0.8779 -0.8701 -0.8652 -0.8534 -0.8460 -0.8162 -0.8066 -0.7822 -0.7711 -0.7678 -0.7531 -0.7085 -0.6876 -0.6480 -0.6178 -0.6100 -0.5564 -0.5290 -0.5167 -0.5065 -0.5023 -0.4234 -0.3403 -0.3017 -0.2156 -0.1817 -0.1670 -0.0897 -0.0045 0.0582 0.1074 0.2059 0.4272 0.5082 0.6602 0.8721 1.0602 1.1196 1.3278 1.4135 1.6703 1.7143 1.7401 1.8112 1.8948 2.0502 2.2553 2.5806 2.6777 2.7140 2.8923 3.0196 3.1706 3.2322 3.4467 3.7566 -17.4208 -7.7409 -6.9011 -6.5259 -6.1349 -6.1258 -5.7686 -5.2074 -5.0997 -4.9723 -4.8823 -4.8695 -4.5475 -4.4456 -4.3388 -4.3217 -4.3118 -4.3002 -4.2129 -4.1934 -4.1334 -4.0962 -4.0302 -3.9935 -3.9923 -3.9282 -3.8902 -3.8403 -3.7943 -3.7139 -3.7002 -3.6839 -3.6656 -3.5990 -3.5881 -3.5852 -3.5752 -3.5690 -3.5584 -3.5434 -3.5074 -3.4953 -3.4572 -3.4286 -3.4193 -3.4113 -3.3626 -3.3589 -3.3299 -3.3249 -3.3079 -3.2653 -3.2048 -3.1619 -3.1508 -3.1293 -3.1249 -3.1224 -3.1013 -3.0870 -3.0816 -3.0552 -3.0270 -3.0223 -2.9738 -2.9591 -2.9544 -2.9442 -2.9010 -2.8500 -2.8323 -2.8270 -2.8158 -2.8085 -2.7890 -2.7739 -2.7296 -2.7206 -2.7135 -2.7040 -2.6970 -2.6928 -2.6373 -2.6187 -2.6109 -2.5974 -2.5725 -2.5700 -2.5439 -2.5406 -2.5124 -2.4814 -2.4783 -2.4465 -2.4296 -2.4233 -2.4094 -2.3875 -2.3807 -2.3479 -2.3420 -2.3278 -2.3243 -2.3218 -2.3199 -2.3110 -2.3098 -2.2966 -2.2948 -2.2865 -2.2751 -2.2721 -2.2628 -2.2454 -2.2428 -2.2161 -2.1931 -2.1823 -2.1726 -2.1584 -2.1502 -2.1458 -2.1330 -2.1284 -2.1191 -2.1157 -2.1146 -2.1135 -2.1023 -2.0991 -2.0926 -2.0870 -2.0671 -2.0572 -2.0405 -2.0311 -2.0222 -2.0152 -2.0086 -1.9939 -1.9823 -1.9816 -1.9702 -1.9646 -1.9581 -1.9524 -1.9443 -1.9324 -1.9173 -1.9002 -1.8889 -1.8689 -1.8605 -1.8350 -1.8310 -1.8030 -1.7766 -1.7413 -1.7302 -1.7199 -1.7097 -1.6989 -1.6883 -1.6828 -1.6725 -1.6655 -1.6411 -1.6223 -1.5993 -1.5935 -1.5718 -1.5521 -1.5413 -1.5344 -1.5294 -1.5230 -1.5022 -1.4928 -1.4872 -1.4845 -1.4521 -1.4475 -1.4379 -1.4372 -1.4098 -1.3977 -1.3893 -1.3875 -1.3859 -1.3785 -1.3740 -1.3684 -1.3626 -1.3536 -1.3429 -1.3178 -1.3005 -1.2929 -1.2868 -1.2746 -1.2539 -1.2515 -1.2439 -1.2377 -1.2286 -1.2118 -1.2046 -1.1948 -1.1827 -1.1677 -1.1561 -1.1498 -1.1438 -1.1286 -1.1119 -1.1007 -1.0842 -1.0730 -1.0415 -1.0251 -1.0190 -1.0035 -0.9949 -0.9829 -0.9735 -0.9635 -0.9532 -0.9497 -0.9338 -0.9245 -0.9024 -0.8992 -0.8778 -0.8702 -0.8653 -0.8535 -0.8459 -0.8162 -0.8066 -0.7822 -0.7712 -0.7677 -0.7530 -0.7085 -0.6876 -0.6481 -0.6178 -0.6100 -0.5564 -0.5290 -0.5167 -0.5066 -0.5022 -0.4233 -0.3403 -0.3017 -0.2156 -0.1817 -0.1670 -0.0898 -0.0045 0.0582 0.1075 0.2059 0.4271 0.5081 0.6602 0.8721 1.0602 1.1197 1.3278 1.4135 1.6703 1.7143 1.7401 1.8111 1.8946 2.0503 2.2553 2.5806 2.6777 2.7140 2.8925 3.0198 3.1706 3.2322 3.4465 3.7514 -17.4208 -7.1816 -7.1815 -7.1629 -6.0569 -6.0567 -5.9201 -5.1093 -5.1093 -5.0794 -4.6697 -4.6696 -4.5408 -4.4983 -4.4982 -4.4405 -4.1723 -4.1721 -4.0408 -3.9740 -3.9729 -3.9728 -3.9656 -3.9522 -3.9522 -3.8469 -3.8468 -3.8177 -3.8177 -3.8073 -3.8053 -3.8032 -3.8023 -3.8023 -3.7080 -3.7080 -3.6285 -3.5322 -3.5322 -3.5307 -3.4756 -3.4756 -3.4562 -3.4272 -3.4117 -3.4116 -3.3963 -3.3950 -3.3949 -3.3737 -3.3735 -3.3630 -3.2308 -3.2307 -3.1886 -3.1509 -3.1491 -3.1490 -3.0679 -3.0675 -3.0281 -3.0013 -3.0011 -2.9901 -2.9901 -2.9869 -2.9804 -2.9764 -2.9763 -2.8098 -2.7955 -2.7954 -2.7854 -2.7725 -2.7724 -2.7633 -2.7629 -2.7629 -2.6830 -2.6681 -2.6680 -2.6331 -2.5928 -2.5927 -2.5779 -2.5317 -2.5317 -2.5239 -2.5143 -2.5142 -2.5133 -2.5009 -2.5009 -2.4653 -2.4506 -2.4506 -2.4253 -2.3757 -2.3757 -2.3727 -2.3609 -2.3609 -2.3596 -2.3015 -2.3015 -2.2729 -2.2419 -2.2419 -2.1966 -2.1944 -2.1898 -2.1898 -2.1816 -2.1815 -2.1788 -2.1750 -2.1750 -2.1690 -2.1616 -2.1530 -2.1530 -2.1372 -2.1371 -2.1174 -2.1153 -2.1152 -2.0781 -2.0645 -2.0645 -2.0480 -2.0464 -2.0238 -2.0238 -2.0167 -2.0138 -2.0138 -1.9996 -1.9802 -1.9802 -1.9502 -1.9502 -1.9497 -1.9273 -1.8982 -1.8982 -1.8763 -1.8763 -1.8611 -1.8379 -1.8183 -1.8183 -1.7907 -1.7901 -1.7901 -1.7788 -1.7788 -1.7772 -1.7640 -1.7640 -1.7606 -1.7417 -1.7417 -1.7296 -1.7171 -1.7171 -1.7054 -1.6786 -1.6785 -1.6714 -1.6599 -1.6522 -1.6521 -1.6319 -1.6318 -1.6099 -1.6098 -1.6031 -1.5808 -1.5808 -1.5709 -1.5611 -1.4943 -1.4943 -1.4940 -1.4548 -1.4515 -1.4515 -1.4431 -1.4431 -1.4426 -1.3903 -1.3902 -1.3406 -1.3228 -1.3227 -1.3082 -1.2815 -1.2814 -1.2773 -1.2657 -1.2657 -1.2492 -1.2492 -1.2454 -1.2292 -1.2292 -1.2291 -1.1941 -1.1903 -1.1902 -1.1809 -1.1471 -1.1470 -1.1348 -1.1348 -1.1340 -1.1180 -1.0614 -1.0612 -1.0534 -1.0129 -1.0129 -1.0108 -0.9990 -0.9989 -0.9809 -0.9693 -0.9497 -0.9497 -0.9133 -0.9133 -0.8984 -0.8984 -0.8876 -0.8865 -0.8520 -0.8519 -0.8370 -0.8369 -0.8221 -0.7846 -0.7641 -0.7640 -0.7376 -0.7183 -0.7183 -0.6246 -0.6196 -0.6196 -0.5827 -0.5604 -0.5584 -0.5584 -0.5571 -0.5383 -0.5383 -0.3104 -0.3104 0.0332 0.4874 0.4874 0.5788 0.7066 0.7067 0.7127 0.7145 0.7146 0.7355 0.8019 0.8021 0.9730 1.2553 1.2868 1.2869 1.4901 1.4902 1.9040 2.2607 2.2608 2.4401 2.5811 2.5812 2.5998 2.7070 2.7070 2.7715 3.1021 3.1022</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="1440">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.00006 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99317 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99299 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99310 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.99971 0.99971 0.19230 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">2</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="5">1 2 3 4 5</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1440">-17.4545 -8.0396 -6.7860 -5.6479 -5.6478 -5.6317 -5.6312 -5.6161 -5.6161 -5.2162 -4.8592 -4.8592 -4.6534 -4.6454 -4.6453 -4.6405 -4.2543 -4.1539 -4.1538 -4.0716 -4.0558 -4.0557 -3.9473 -3.8502 -3.8502 -3.8484 -3.5396 -3.5395 -3.5330 -3.5320 -3.5319 -3.5316 -3.4869 -3.4869 -3.4787 -3.3313 -3.3312 -3.2545 -3.2312 -3.2310 -3.2194 -3.2194 -3.1848 -3.1260 -3.1208 -3.1095 -3.0938 -3.0938 -3.0765 -3.0765 -3.0563 -3.0563 -3.0497 -3.0496 -2.9918 -2.9628 -2.9627 -2.9560 -2.9543 -2.9523 -2.9523 -2.9487 -2.9486 -2.8180 -2.7885 -2.7883 -2.7818 -2.7345 -2.6946 -2.6944 -2.6689 -2.6426 -2.6423 -2.6251 -2.5393 -2.5392 -2.5335 -2.5282 -2.5282 -2.5270 -2.5269 -2.5248 -2.5208 -2.5113 -2.5113 -2.5095 -2.5075 -2.5074 -2.4798 -2.4795 -2.4639 -2.4053 -2.3841 -2.3840 -2.3740 -2.3739 -2.3718 -2.3658 -2.3657 -2.2596 -2.2595 -2.2556 -2.2376 -2.2253 -2.2250 -2.2099 -2.2098 -2.1920 -2.1891 -2.1891 -2.1634 -2.1600 -2.1526 -2.1360 -2.1360 -2.1225 -2.1225 -2.1168 -2.1111 -2.1105 -2.1105 -2.1080 -2.1034 -2.1034 -2.0886 -2.0855 -2.0854 -2.0709 -2.0708 -2.0183 -1.9047 -1.9042 -1.8637 -1.8622 -1.8621 -1.8610 -1.8577 -1.8483 -1.8482 -1.8448 -1.7386 -1.7385 -1.7340 -1.6451 -1.6357 -1.6357 -1.5893 -1.5892 -1.5785 -1.5757 -1.5757 -1.5667 -1.5666 -1.5575 -1.5575 -1.5552 -1.5552 -1.5532 -1.5495 -1.5360 -1.3949 -1.3789 -1.3788 -1.3729 -1.3729 -1.3643 -1.3614 -1.3614 -1.3613 -1.3441 -1.3440 -1.3440 -1.2889 -1.2889 -1.2881 -1.2601 -1.2601 -1.2358 -1.2358 -1.2209 -1.1795 -1.1689 -1.1689 -1.1616 -1.1616 -1.1524 -1.1524 -1.1467 -1.1358 -1.1099 -1.1098 -1.0742 -1.0742 -1.0678 -1.0544 -1.0544 -1.0514 -1.0479 -1.0209 -1.0209 -0.8672 -0.8671 -0.8271 -0.8250 -0.8250 -0.8104 -0.7967 -0.7966 -0.7182 -0.6987 -0.6643 -0.6641 -0.6571 -0.6559 -0.6559 -0.4764 -0.4741 -0.4741 -0.4241 -0.4042 -0.3881 -0.3879 -0.3819 -0.3818 -0.3787 -0.3161 -0.2835 -0.2833 -0.1554 -0.1123 -0.1123 -0.0826 -0.0826 -0.0733 -0.0733 -0.0701 -0.0503 0.1426 0.5397 0.5398 0.5838 0.5838 0.5935 0.6987 0.7106 0.7112 0.7113 0.7714 0.7714 0.8028 0.8064 0.8065 0.8432 0.9136 0.9239 0.9239 1.0050 1.0052 1.0520 1.0614 1.0615 1.0661 1.0662 1.0744 1.1690 1.1691 1.5469 1.6038 1.6091 1.6091 1.6587 1.6587 1.7393 2.3629 2.3632 2.3794 2.4559 2.4576 2.4576 2.6400 2.6403 2.7051 2.9361 2.9363 3.6817 4.4568 4.4837 4.4885 -17.4543 -7.7475 -6.9041 -6.5161 -6.1293 -6.1201 -5.7485 -5.1666 -5.0550 -4.9655 -4.8378 -4.8274 -4.4912 -4.3788 -4.2947 -4.2413 -4.2115 -4.1964 -4.1191 -4.0564 -3.9943 -3.9334 -3.8932 -3.8529 -3.8269 -3.7870 -3.7304 -3.7228 -3.7095 -3.5521 -3.5347 -3.5050 -3.4782 -3.4424 -3.4399 -3.4365 -3.4284 -3.3849 -3.3548 -3.3389 -3.3264 -3.3135 -3.2648 -3.2234 -3.2059 -3.1960 -3.1801 -3.1732 -3.1619 -3.1511 -3.1377 -3.0960 -3.0460 -2.9754 -2.9641 -2.9592 -2.9333 -2.9158 -2.9065 -2.8462 -2.8249 -2.8125 -2.7740 -2.7632 -2.7564 -2.7523 -2.7488 -2.7470 -2.7327 -2.7203 -2.7102 -2.7018 -2.6150 -2.5822 -2.5637 -2.5381 -2.5308 -2.5240 -2.5184 -2.5153 -2.5094 -2.5068 -2.4957 -2.4814 -2.4648 -2.4579 -2.4216 -2.3822 -2.3667 -2.3457 -2.3426 -2.3334 -2.3154 -2.3065 -2.3052 -2.2905 -2.2722 -2.2657 -2.2562 -2.2425 -2.2275 -2.2170 -2.2118 -2.2097 -2.2073 -2.2033 -2.1871 -2.1827 -2.1710 -2.1675 -2.1598 -2.1302 -2.1234 -2.1206 -2.1180 -2.1148 -2.1061 -2.0852 -2.0700 -2.0560 -2.0508 -2.0161 -2.0149 -2.0092 -2.0086 -2.0061 -2.0023 -1.9688 -1.9619 -1.9430 -1.9363 -1.9123 -1.8961 -1.8955 -1.8879 -1.8582 -1.8552 -1.8472 -1.8352 -1.8330 -1.8193 -1.8126 -1.7468 -1.7368 -1.7328 -1.7268 -1.7009 -1.6876 -1.6673 -1.6571 -1.6472 -1.6295 -1.6134 -1.5800 -1.5714 -1.5501 -1.5297 -1.5026 -1.4978 -1.4814 -1.4720 -1.4637 -1.4500 -1.4355 -1.4289 -1.4115 -1.4063 -1.4034 -1.3989 -1.3968 -1.3933 -1.3733 -1.3636 -1.3604 -1.3368 -1.3361 -1.3298 -1.3190 -1.2951 -1.2892 -1.2592 -1.2505 -1.2225 -1.2183 -1.2163 -1.2146 -1.2076 -1.2047 -1.1999 -1.1959 -1.1926 -1.1600 -1.1482 -1.1358 -1.1132 -1.1111 -1.0990 -1.0618 -1.0540 -0.9465 -0.9040 -0.8900 -0.8695 -0.8578 -0.8251 -0.8035 -0.7981 -0.7724 -0.7432 -0.7356 -0.7045 -0.6631 -0.6359 -0.5955 -0.5591 -0.5021 -0.4576 -0.4525 -0.4142 -0.3921 -0.3680 -0.3433 -0.3024 -0.2838 -0.2785 -0.2616 -0.2215 -0.1893 -0.1214 -0.0175 0.0187 0.0358 0.0485 0.1238 0.1546 0.1878 0.2290 0.2982 0.3149 0.4039 0.4269 0.4365 0.4546 0.5316 0.5624 0.5760 0.5823 0.6239 0.6773 0.7080 0.7125 0.7363 0.7412 0.7570 0.7957 0.8116 0.8263 0.9175 0.9191 0.9378 0.9761 1.0463 1.2626 1.3219 1.3663 1.4371 1.4473 1.5660 1.6139 1.6557 1.7077 1.8488 1.9538 1.9761 2.0216 2.1136 2.1389 2.2632 2.5393 2.9151 2.9752 3.0464 3.1842 3.2602 3.3634 3.4199 3.6464 3.9334 -17.4543 -7.7475 -6.9042 -6.5161 -6.1292 -6.1201 -5.7485 -5.1666 -5.0551 -4.9655 -4.8379 -4.8274 -4.4910 -4.3789 -4.2947 -4.2412 -4.2116 -4.1964 -4.1190 -4.0565 -3.9941 -3.9334 -3.8932 -3.8529 -3.8269 -3.7871 -3.7305 -3.7228 -3.7094 -3.5522 -3.5346 -3.5049 -3.4782 -3.4424 -3.4399 -3.4365 -3.4285 -3.3849 -3.3548 -3.3386 -3.3263 -3.3134 -3.2648 -3.2234 -3.2060 -3.1961 -3.1801 -3.1733 -3.1619 -3.1510 -3.1377 -3.0961 -3.0461 -2.9753 -2.9641 -2.9592 -2.9333 -2.9159 -2.9066 -2.8461 -2.8250 -2.8125 -2.7740 -2.7632 -2.7564 -2.7523 -2.7488 -2.7470 -2.7327 -2.7203 -2.7101 -2.7017 -2.6152 -2.5822 -2.5638 -2.5383 -2.5308 -2.5240 -2.5185 -2.5153 -2.5094 -2.5068 -2.4958 -2.4815 -2.4648 -2.4580 -2.4216 -2.3821 -2.3667 -2.3457 -2.3425 -2.3335 -2.3154 -2.3065 -2.3051 -2.2905 -2.2721 -2.2658 -2.2561 -2.2426 -2.2275 -2.2170 -2.2118 -2.2096 -2.2072 -2.2033 -2.1871 -2.1827 -2.1710 -2.1674 -2.1597 -2.1302 -2.1234 -2.1206 -2.1180 -2.1148 -2.1061 -2.0852 -2.0699 -2.0560 -2.0510 -2.0161 -2.0149 -2.0092 -2.0086 -2.0062 -2.0023 -1.9688 -1.9619 -1.9431 -1.9364 -1.9123 -1.8961 -1.8955 -1.8878 -1.8581 -1.8551 -1.8472 -1.8352 -1.8330 -1.8193 -1.8125 -1.7468 -1.7368 -1.7328 -1.7268 -1.7009 -1.6876 -1.6673 -1.6571 -1.6472 -1.6296 -1.6133 -1.5800 -1.5714 -1.5501 -1.5297 -1.5026 -1.4978 -1.4814 -1.4720 -1.4637 -1.4501 -1.4357 -1.4289 -1.4115 -1.4063 -1.4034 -1.3989 -1.3968 -1.3932 -1.3733 -1.3635 -1.3604 -1.3369 -1.3361 -1.3299 -1.3191 -1.2951 -1.2892 -1.2592 -1.2504 -1.2225 -1.2183 -1.2163 -1.2146 -1.2076 -1.2048 -1.1999 -1.1958 -1.1926 -1.1601 -1.1482 -1.1358 -1.1131 -1.1111 -1.0990 -1.0617 -1.0540 -0.9464 -0.9040 -0.8900 -0.8696 -0.8578 -0.8251 -0.8035 -0.7981 -0.7725 -0.7432 -0.7358 -0.7045 -0.6632 -0.6359 -0.5955 -0.5591 -0.5021 -0.4576 -0.4524 -0.4142 -0.3921 -0.3679 -0.3432 -0.3023 -0.2838 -0.2784 -0.2615 -0.2214 -0.1893 -0.1214 -0.0175 0.0187 0.0358 0.0485 0.1239 0.1545 0.1878 0.2290 0.2982 0.3149 0.4039 0.4268 0.4365 0.4547 0.5317 0.5624 0.5760 0.5823 0.6240 0.6773 0.7080 0.7125 0.7362 0.7412 0.7571 0.7958 0.8117 0.8262 0.9175 0.9191 0.9378 0.9761 1.0462 1.2626 1.3219 1.3663 1.4371 1.4473 1.5660 1.6138 1.6556 1.7076 1.8488 1.9539 1.9761 2.0216 2.1139 2.1389 2.2631 2.5392 2.9151 2.9752 3.0462 3.1841 3.2601 3.3634 3.4198 3.6461 3.9382 -17.4543 -7.7475 -6.9041 -6.5161 -6.1292 -6.1201 -5.7485 -5.1666 -5.0550 -4.9655 -4.8379 -4.8274 -4.4912 -4.3788 -4.2947 -4.2413 -4.2115 -4.1964 -4.1190 -4.0565 -3.9942 -3.9334 -3.8932 -3.8529 -3.8269 -3.7870 -3.7304 -3.7228 -3.7094 -3.5521 -3.5346 -3.5050 -3.4782 -3.4424 -3.4399 -3.4365 -3.4284 -3.3849 -3.3548 -3.3387 -3.3263 -3.3135 -3.2648 -3.2234 -3.2059 -3.1961 -3.1801 -3.1732 -3.1619 -3.1511 -3.1377 -3.0961 -3.0460 -2.9753 -2.9641 -2.9592 -2.9333 -2.9159 -2.9065 -2.8462 -2.8250 -2.8125 -2.7740 -2.7632 -2.7563 -2.7523 -2.7488 -2.7470 -2.7327 -2.7203 -2.7101 -2.7018 -2.6151 -2.5822 -2.5638 -2.5382 -2.5308 -2.5240 -2.5184 -2.5153 -2.5094 -2.5068 -2.4957 -2.4815 -2.4648 -2.4580 -2.4216 -2.3821 -2.3667 -2.3457 -2.3425 -2.3335 -2.3154 -2.3065 -2.3051 -2.2905 -2.2721 -2.2658 -2.2561 -2.2425 -2.2275 -2.2170 -2.2118 -2.2097 -2.2073 -2.2033 -2.1871 -2.1827 -2.1710 -2.1674 -2.1598 -2.1302 -2.1234 -2.1206 -2.1180 -2.1148 -2.1060 -2.0852 -2.0699 -2.0560 -2.0509 -2.0161 -2.0149 -2.0092 -2.0086 -2.0062 -2.0023 -1.9688 -1.9619 -1.9431 -1.9364 -1.9123 -1.8961 -1.8955 -1.8879 -1.8581 -1.8551 -1.8472 -1.8352 -1.8330 -1.8193 -1.8125 -1.7468 -1.7368 -1.7328 -1.7268 -1.7009 -1.6876 -1.6673 -1.6571 -1.6472 -1.6296 -1.6133 -1.5800 -1.5714 -1.5501 -1.5297 -1.5026 -1.4978 -1.4814 -1.4720 -1.4637 -1.4501 -1.4356 -1.4289 -1.4115 -1.4063 -1.4034 -1.3989 -1.3968 -1.3933 -1.3733 -1.3636 -1.3604 -1.3368 -1.3361 -1.3298 -1.3190 -1.2951 -1.2892 -1.2592 -1.2505 -1.2225 -1.2183 -1.2163 -1.2146 -1.2076 -1.2047 -1.1999 -1.1958 -1.1926 -1.1600 -1.1482 -1.1358 -1.1132 -1.1111 -1.0990 -1.0617 -1.0540 -0.9464 -0.9040 -0.8900 -0.8695 -0.8578 -0.8251 -0.8035 -0.7981 -0.7724 -0.7432 -0.7357 -0.7045 -0.6632 -0.6359 -0.5955 -0.5591 -0.5021 -0.4576 -0.4524 -0.4142 -0.3921 -0.3680 -0.3432 -0.3024 -0.2838 -0.2785 -0.2616 -0.2215 -0.1893 -0.1214 -0.0175 0.0187 0.0358 0.0485 0.1238 0.1546 0.1878 0.2290 0.2982 0.3149 0.4039 0.4268 0.4365 0.4546 0.5316 0.5624 0.5761 0.5823 0.6240 0.6774 0.7080 0.7124 0.7363 0.7412 0.7571 0.7958 0.8117 0.8263 0.9175 0.9191 0.9379 0.9761 1.0462 1.2626 1.3219 1.3663 1.4371 1.4472 1.5660 1.6138 1.6556 1.7077 1.8488 1.9538 1.9761 2.0216 2.1137 2.1389 2.2632 2.5392 2.9151 2.9752 3.0463 3.1842 3.2601 3.3634 3.4199 3.6481 3.9441 -17.4543 -7.1826 -7.1825 -7.1746 -6.0399 -6.0397 -5.9069 -5.0671 -5.0670 -5.0421 -4.6233 -4.6232 -4.5300 -4.4367 -4.4365 -4.3345 -4.0650 -4.0649 -3.9661 -3.8513 -3.8508 -3.8470 -3.8470 -3.8397 -3.8397 -3.6777 -3.6776 -3.6581 -3.6382 -3.6382 -3.6265 -3.6255 -3.6197 -3.6196 -3.5687 -3.5686 -3.4863 -3.3329 -3.3328 -3.3283 -3.3240 -3.3240 -3.3203 -3.2760 -3.2759 -3.2570 -3.2054 -3.2016 -3.2016 -3.1144 -3.0981 -3.0980 -3.0255 -3.0255 -3.0006 -3.0004 -2.9988 -2.9938 -2.9385 -2.9379 -2.7689 -2.7337 -2.7335 -2.7229 -2.7229 -2.7201 -2.7114 -2.6974 -2.6973 -2.6457 -2.6457 -2.6451 -2.5783 -2.5522 -2.5521 -2.4958 -2.4785 -2.4785 -2.4659 -2.4655 -2.4636 -2.4635 -2.4486 -2.4485 -2.4394 -2.4159 -2.4159 -2.4105 -2.4082 -2.4082 -2.4071 -2.3990 -2.3990 -2.3538 -2.3237 -2.3237 -2.3050 -2.2611 -2.2610 -2.2428 -2.2427 -2.2338 -2.2328 -2.2039 -2.2039 -2.1922 -2.1420 -2.1420 -2.1016 -2.1011 -2.1011 -2.0701 -2.0317 -2.0298 -2.0298 -2.0095 -2.0095 -1.9940 -1.9917 -1.9916 -1.9916 -1.9888 -1.9888 -1.9886 -1.9515 -1.9508 -1.9508 -1.9333 -1.9332 -1.9151 -1.8810 -1.8809 -1.8498 -1.8456 -1.8456 -1.8140 -1.8140 -1.8130 -1.7861 -1.7849 -1.7670 -1.7670 -1.7570 -1.7570 -1.7418 -1.7243 -1.7120 -1.7119 -1.6546 -1.6545 -1.6514 -1.6465 -1.6425 -1.6424 -1.6252 -1.6252 -1.6247 -1.5873 -1.5872 -1.5689 -1.5688 -1.5684 -1.5442 -1.4988 -1.4961 -1.4961 -1.4691 -1.4690 -1.4647 -1.4430 -1.4430 -1.4424 -1.4422 -1.4417 -1.4417 -1.4194 -1.4193 -1.3794 -1.2747 -1.2746 -1.2320 -1.2173 -1.2166 -1.2166 -1.2092 -1.2091 -1.2091 -1.2043 -1.2043 -1.2034 -1.1764 -1.1764 -1.1726 -1.1654 -1.1654 -1.1578 -1.1353 -1.1353 -1.1347 -1.0086 -1.0085 -0.9972 -0.9797 -0.9796 -0.9796 -0.9690 -0.9462 -0.9462 -0.7112 -0.7111 -0.6601 -0.6084 -0.6083 -0.4480 -0.4417 -0.4226 -0.4226 -0.4086 -0.4086 -0.3394 -0.3019 -0.3018 -0.1988 -0.0847 -0.0753 -0.0752 -0.0106 -0.0104 0.0548 0.1063 0.1064 0.1223 0.1346 0.1347 0.1499 0.1775 0.1776 0.2668 0.2670 0.2761 0.3220 0.4180 0.4180 0.4255 0.4528 0.4528 0.4640 0.5438 0.5439 0.6969 0.8741 0.8742 0.8771 0.9707 0.9707 1.0030 1.0034 1.0061 1.0062 1.0563 1.0564 1.0899 1.0930 1.0942 1.0942 1.0993 1.1426 1.1427 1.2393 1.2394 1.5019 2.0538 2.0663 2.0664 2.1982 2.1983 2.4503 2.5857 2.5858 2.7228 2.8335 2.8337 2.8499 2.9183 2.9183 2.9561 3.2740 3.2740</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="1440">1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.83494 0.83358 0.13436 0.13420 0.05896 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.91242 0.46222 0.23049 0.15033 0.00136 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.91191 0.46122 0.23041 0.15038 0.00135 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.91245 0.46187 0.22973 0.15025 0.00136 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 1.00000 0.78222 0.78098 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <scalar dataType="xsd:double"
                             dictRef="cc:freeEnergy"
                             units="nonsi:electronvolt">-213.91623488</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="v:noEntropyEnergy"
                             units="nonsi:electronvolt">-213.89388157</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:e0" units="nonsi:electronvolt">-213.90505822</scalar>
                     <scalar dataType="xsd:double" dictRef="v:efermi" units="nonsi:electronvolt">0.5604</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.900280737</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.90028073720212</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.22507"
                        xFract="0.16666696"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="4.45014"
                        xFract="0.33333328"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="4.45014"
                        xFract="0.49999996"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.67521"
                        xFract="0.66666692"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.90028"
                        xFract="0.83333323"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="2.22507"
                        xFract="0.00000028"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="4.45014"
                        xFract="0.16666659"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.67521"
                        xFract="0.33333355"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.67521"
                        xFract="0.50000024"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.90028"
                        xFract="0.66666655"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="11.12535"
                        xFract="0.83333351"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="1.48338"
                        xFract="0.16666665"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="1.48338"
                        xFract="-0.00000003"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.70845"
                        xFract="0.33333361"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.93352"
                        xFract="0.66666661"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="5.93352"
                        xFract="0.49999993"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.15859"
                        xFract="0.83333357"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.70845"
                        xFract="0.16666693"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.70845"
                        xFract="0.00000025"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.93352"
                        xFract="0.33333324"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.15859"
                        xFract="0.66666689"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.15859"
                        xFract="0.50000021"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="10.38366"
                        xFract="0.8333332"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="2.09782"
                        zFract="0.104891"/>
                  <atom elementType="Co"
                        id="a25"
                        x3="9.63207"
                        xFract="0.99916813"
                        y3="1.28032"
                        yFract="0.16610557"
                        z3="4.14956"
                        zFract="0.207478"/>
                  <atom elementType="Co"
                        id="a26"
                        x3="2.96782"
                        xFract="0.33277323"
                        y3="0.01047"
                        yFract="0.00135835"
                        z3="4.14986"
                        zFract="0.207493"/>
                  <atom elementType="Co"
                        id="a27"
                        x3="3.0012"
                        xFract="0.17054135"
                        y3="2.56921"
                        yFract="0.33332299"
                        z3="4.20845"
                        zFract="0.2104225"/>
                  <atom elementType="Co"
                        id="a28"
                        x3="5.19722"
                        xFract="0.4999948"
                        y3="1.29406"
                        yFract="0.16788816"
                        z3="4.1430"
                        zFract="0.20715"/>
                  <atom elementType="Co"
                        id="a29"
                        x3="7.39923"
                        xFract="0.82939668"
                        y3="0.03008"
                        yFract="0.00390251"
                        z3="4.20842"
                        zFract="0.210421"/>
                  <atom elementType="Co"
                        id="a30"
                        x3="7.40573"
                        xFract="0.66540962"
                        y3="2.56932"
                        yFract="0.33333726"
                        z3="4.14299"
                        zFract="0.2071495"/>
                  <atom elementType="Co"
                        id="a31"
                        x3="2.96779"
                        xFract="0.00079744"
                        y3="5.12807"
                        yFract="0.66530319"
                        z3="4.14979"
                        zFract="0.2074895"/>
                  <atom elementType="Co"
                        id="a32"
                        x3="5.19725"
                        xFract="0.33457178"
                        y3="3.84423"
                        yFract="0.49874095"
                        z3="4.14303"
                        zFract="0.2071515"/>
                  <atom elementType="Co"
                        id="a33"
                        x3="5.20019"
                        xFract="0.16801811"
                        y3="6.41687"
                        yFract="0.83250894"
                        z3="4.14996"
                        zFract="0.207498"/>
                  <atom elementType="Co"
                        id="a34"
                        x3="7.39932"
                        xFract="0.49998826"
                        y3="5.10831"
                        yFract="0.66273958"
                        z3="4.20864"
                        zFract="0.210432"/>
                  <atom elementType="Co"
                        id="a35"
                        x3="9.63202"
                        xFract="0.83193602"
                        y3="3.85824"
                        yFract="0.50055857"
                        z3="4.14974"
                        zFract="0.207487"/>
                  <atom elementType="Co"
                        id="a36"
                        x3="9.65049"
                        xFract="0.66722259"
                        y3="6.42941"
                        yFract="0.83413584"
                        z3="4.14982"
                        zFract="0.207491"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.46389"
                        xFract="0.00194245"
                        y3="7.70174"
                        yFract="0.99920481"
                        z3="6.20289"
                        zFract="0.3101445"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="2.21244"
                        xFract="0.16585183"
                        y3="1.27533"
                        yFract="0.16545818"
                        z3="6.20289"
                        zFract="0.3101445"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="4.40294"
                        xFract="0.32804045"
                        y3="2.56913"
                        yFract="0.33331261"
                        z3="6.29066"
                        zFract="0.314533"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.88602"
                        xFract="0.49998436"
                        y3="7.68341"
                        yFract="0.99682672"
                        z3="6.17442"
                        zFract="0.308721"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="6.69858"
                        xFract="0.67195684"
                        y3="1.24357"
                        yFract="0.16133771"
                        z3="6.29034"
                        zFract="0.314517"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="8.92817"
                        xFract="0.83647203"
                        y3="2.56921"
                        yFract="0.33332299"
                        z3="6.17429"
                        zFract="0.3087145"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="11.11276"
                        xFract="0.99799727"
                        y3="3.8630"
                        yFract="0.50117612"
                        z3="6.20293"
                        zFract="0.3101465"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="4.43587"
                        xFract="0.16349345"
                        y3="5.16278"
                        yFract="0.66980638"
                        z3="6.17447"
                        zFract="0.3087235"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="6.67312"
                        xFract="0.33212764"
                        y3="6.43819"
                        yFract="0.83527494"
                        z3="6.20291"
                        zFract="0.3101455"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="6.69884"
                        xFract="0.49997743"
                        y3="3.89521"
                        yFract="0.50535497"
                        z3="6.29014"
                        zFract="0.314507"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.91406"
                        xFract="0.66783144"
                        y3="5.14449"
                        yFract="0.66743348"
                        z3="6.20289"
                        zFract="0.3101445"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.12328"
                        xFract="0.83408824"
                        y3="6.4080"
                        yFract="0.83135816"
                        z3="6.20287"
                        zFract="0.3101435"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.93278"
                        xFract="0.49994143"
                        y3="2.56891"
                        yFract="0.33328407"
                        z3="7.42819"
                        zFract="0.3714095"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a17" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a7" order="S"/>
                  <bond atomRefs2="a3 a10" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a11" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a7 a19" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a8 a19" order="S"/>
                  <bond atomRefs2="a8 a21" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a22" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a26" order="S"/>
                  <bond atomRefs2="a14 a27" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a15 a27" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a19" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a26" order="S"/>
                  <bond atomRefs2="a16 a29" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a28" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a21" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a28" order="S"/>
                  <bond atomRefs2="a17 a32" order="S"/>
                  <bond atomRefs2="a17 a30" order="S"/>
                  <bond atomRefs2="a18 a29" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a30" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a19 a27" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a19 a31" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a20 a31" order="S"/>
                  <bond atomRefs2="a21 a34" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a21 a32" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a35" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a31" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a32" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a32" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a32" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a39" order="S"/>
                  <bond atomRefs2="a32 a46" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a37" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a46" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a47" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a47" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a37 a45" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a48" order="S"/>
                  <bond atomRefs2="a40 a45" order="S"/>
                  <bond atomRefs2="a40 a47" order="S"/>
                  <bond atomRefs2="a41 a46" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a49" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a47" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a46" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a49" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
               </bondArray>
               <formula concise="Co 12 Cu 36 O 1">
                  <atomArray count="12 36 1" elementType="Co Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3010.853799999998</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/12Co.36Cu.O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:25;26;27;28;29;30;31;32;33;34;35;36;1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;37;38;39;40;41;42;43;44;45;46;47;48;49/rA:49CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCoCoCoCoCoCoCoCoCoCoCoCoCuCuCuCuCuCuCuCuCuCuCuCuO3/rB:s1;s2;s2s3;s3s4;s5;s2s3;s3s7;s8;s3s5s6s8s9;s6s9s10;s11;s1s2;s2s7s13;s2s3s4s13s14;s4s5s15;s3s5s10s15s16;s5s6s16s17;s3s7s8s14s15s17;s8s19;s8s9s10s17s19s20;s6s10s11s17s18s21;s9s11s21s22;s11s12s22s23;s18;s13s15;s14s15s19s26;s15s16s17s26s27;s16s18s25s28;s17s18s22s25s28s29;s19s20s27;s17s19s21s27s28s30s31;s20s21s31s32;s21s22s23s30s32s33;s22s24s25s30s34;s23s24s34s35;s33;s26s27;s27s28s32s38;s36;s28s29s30s39;s25s30s35s41;s35s42;s31s32s33s37s39;s33s34s37s40s44;s30s32s34s39s41s42s44s45;s34s35s36s40s42s43s45s46;s36s40s43s47;s39s41s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
