<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-04T21:52:36.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.242524</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.242524</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.242524</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.04051112"
                        xFract="0.14366692"
                        y3="0.41072984"
                        yFract="0.05671087"
                        z3="1.99999999"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.66177312"
                        xFract="0.64366692"
                        y3="2.22136084"
                        yFract="0.30671087"
                        z3="3.81063095"
                        zFract="0.15718788"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.47240412"
                        xFract="0.89366692"
                        y3="0.41072984"
                        yFract="0.05671087"
                        z3="3.81063095"
                        zFract="0.15718788"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="4.65213636"
                        xFract="0.64233634"
                        y3="0.47718477"
                        yFract="0.06588653"
                        z3="5.6037113"
                        zFract="0.23115214"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.46173972"
                        xFract="0.89219445"
                        y3="2.27017798"
                        yFract="0.31345122"
                        z3="5.65660825"
                        zFract="0.23333413"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="4.62537733"
                        xFract="0.63864163"
                        y3="2.27544706"
                        yFract="0.31417874"
                        z3="7.37142161"
                        zFract="0.30406989"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.46133138"
                        xFract="0.89213807"
                        y3="0.44046025"
                        yFract="0.06081585"
                        z3="7.43435083"
                        zFract="0.30666571"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="4.45612121"
                        xFract="0.61527186"
                        y3="0.57068366"
                        yFract="0.07879624"
                        z3="9.39675139"
                        zFract="0.3876144"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.47240412"
                        xFract="0.89366692"
                        y3="2.22136084"
                        yFract="0.30671087"
                        z3="1.99999999"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.50680176"
                        xFract="0.89841632"
                        y3="2.39981931"
                        yFract="0.33135124"
                        z3="9.17534248"
                        zFract="0.37848132"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="6.47240412"
                        xFract="0.89366692"
                        y3="5.84262284"
                        yFract="0.80671087"
                        z3="1.99999999"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.66177312"
                        xFract="0.64366692"
                        y3="5.84262284"
                        yFract="0.80671087"
                        z3="3.81063095"
                        zFract="0.15718788"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.47240412"
                        xFract="0.89366692"
                        y3="4.03199184"
                        yFract="0.55671087"
                        z3="3.81063095"
                        zFract="0.15718788"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="4.64208004"
                        xFract="0.64094783"
                        y3="4.09939265"
                        yFract="0.56601713"
                        z3="5.59237768"
                        zFract="0.23068463"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.46314448"
                        xFract="0.89238841"
                        y3="5.90208555"
                        yFract="0.81492109"
                        z3="5.64598517"
                        zFract="0.23289593"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.63476002"
                        xFract="0.63993713"
                        y3="5.86923288"
                        yFract="0.81038501"
                        z3="7.33045368"
                        zFract="0.30237997"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="6.46949769"
                        xFract="0.89326562"
                        y3="4.08980195"
                        yFract="0.56469291"
                        z3="7.41277402"
                        zFract="0.30577567"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.66177312"
                        xFract="0.64366692"
                        y3="4.03199184"
                        yFract="0.55671087"
                        z3="1.99999999"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="4.66177312"
                        xFract="0.64366692"
                        y3="0.41072984"
                        yFract="0.05671087"
                        z3="1.99999999"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="2.77041195"
                        xFract="0.38252023"
                        y3="5.92424174"
                        yFract="0.81798027"
                        z3="9.1659582"
                        zFract="0.37809422"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="1.04529263"
                        xFract="0.14432712"
                        y3="4.06437693"
                        yFract="0.56118239"
                        z3="9.2300438"
                        zFract="0.38073774"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.85114212"
                        xFract="0.39366692"
                        y3="2.22136084"
                        yFract="0.30671087"
                        z3="1.99999999"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.04051112"
                        xFract="0.14366692"
                        y3="2.22136084"
                        yFract="0.30671087"
                        z3="3.81063095"
                        zFract="0.15718788"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.85114212"
                        xFract="0.39366692"
                        y3="0.41072984"
                        yFract="0.05671087"
                        z3="3.81063095"
                        zFract="0.15718788"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.00212147"
                        xFract="0.13836633"
                        y3="0.49522677"
                        yFract="0.06837765"
                        z3="5.59810667"
                        zFract="0.23092095"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.8251056"
                        xFract="0.39007197"
                        y3="2.27493748"
                        yFract="0.31410838"
                        z3="5.63840138"
                        zFract="0.2325831"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="1.02995963"
                        xFract="0.14221004"
                        y3="2.29086741"
                        yFract="0.31630788"
                        z3="7.41538833"
                        zFract="0.30588351"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.81470382"
                        xFract="0.38863576"
                        y3="0.45613336"
                        yFract="0.06297989"
                        z3="7.39147502"
                        zFract="0.30489709"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.15298447"
                        xFract="0.1591965"
                        y3="0.53924633"
                        yFract="0.07445558"
                        z3="9.3016327"
                        zFract="0.38369077"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.73823725"
                        xFract="0.37807776"
                        y3="2.37984769"
                        yFract="0.32859369"
                        z3="9.13751493"
                        zFract="0.37692094"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="1.04051112"
                        xFract="0.14366692"
                        y3="4.03199184"
                        yFract="0.55671087"
                        z3="1.99999999"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.85114212"
                        xFract="0.39366692"
                        y3="5.84262284"
                        yFract="0.80671087"
                        z3="1.99999999"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="1.04051112"
                        xFract="0.14366692"
                        y3="5.84262284"
                        yFract="0.80671087"
                        z3="3.81063095"
                        zFract="0.15718788"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.85114212"
                        xFract="0.39366692"
                        y3="4.03199184"
                        yFract="0.55671087"
                        z3="3.81063095"
                        zFract="0.15718788"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="1.01722524"
                        xFract="0.14045176"
                        y3="4.10649387"
                        yFract="0.56699762"
                        z3="5.57075286"
                        zFract="0.22979261"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.85157551"
                        xFract="0.39372676"
                        y3="5.89216366"
                        yFract="0.81355114"
                        z3="5.62537369"
                        zFract="0.23204571"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="1.02214661"
                        xFract="0.14113127"
                        y3="5.87135183"
                        yFract="0.81067758"
                        z3="7.34647411"
                        zFract="0.30304081"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="2.81211353"
                        xFract="0.38827811"
                        y3="4.08723267"
                        yFract="0.56433816"
                        z3="7.38582336"
                        zFract="0.30466396"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="4.59880502"
                        xFract="0.6349727"
                        y3="3.86479824"
                        yFract="0.53362588"
                        z3="9.77942982"
                        zFract="0.40339982"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.43878816"
                        xFract="0.88902545"
                        y3="5.65184462"
                        yFract="0.78036947"
                        z3="9.98094095"
                        zFract="0.41171212"/>
                  <atom elementType="O"
                        id="a41"
                        x3="1.71612939"
                        xFract="0.23695184"
                        y3="6.41074025"
                        yFract="0.88515278"
                        z3="10.7246274"
                        zFract="0.44238906"/>
                  <atom elementType="O"
                        id="a42"
                        x3="4.11900142"
                        xFract="0.56872458"
                        y3="2.21394913"
                        yFract="0.30568751"
                        z3="10.42385841"
                        zFract="0.42998239"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.83226849"
                        xFract="0.11491415"
                        y3="5.22880625"
                        yFract="0.72195912"
                        z3="10.83148772"
                        zFract="0.44679703"/>
                  <atom elementType="O"
                        id="a44"
                        x3="4.69486834"
                        xFract="0.64823649"
                        y3="5.65365641"
                        yFract="0.78061963"
                        z3="9.31764925"
                        zFract="0.38435145"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a22" order="S"/>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a24" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a22" order="S"/>
                  <bond atomRefs2="a2 a19" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a9" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a28" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a24" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a30" order="S"/>
                  <bond atomRefs2="a6 a28" order="S"/>
                  <bond atomRefs2="a6 a38" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a42" order="S"/>
                  <bond atomRefs2="a9 a19" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a10 a39" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a32" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a26" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a38" order="S"/>
                  <bond atomRefs2="a14 a36" order="S"/>
                  <bond atomRefs2="a14 a34" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a32" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a24" order="S"/>
                  <bond atomRefs2="a20 a38" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a20 a41" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a21 a38" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a39" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a38" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
               </bondArray>
               <formula concise="Cu40O4">
                  <atomArray count="40 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2605.8376000000003</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/40Cu.O2.2O/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;-2;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;20;21;41,43;42;44/E:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;(1,2);;/CRV:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-1,2-1;;/rA:44CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO3OO4/rB:;s2;s2s3;s2s3s4;s4s5;s4s5s6;s6;s2s3;s6s7;;s11;s2s5s9s11s12;s2s5s6s12s13;s12s13s14;s14s15;s5s6s10s14s15s16;s2s9s11s12s13;s2s3s9;s16;s20;s1s2s18s19;s1s22;s1s2s4s19s22s23;s23s24;s2s4s6s14s23s24s25;s21s25s26;s4s6s8s25s26s27;s27s28;s6s8s21s27s28s29;s22s23;s12s18s31;s31s32;s2s12s14s18s22s23s26s31s32s33;s23s26s27s33s34;s12s14s16s33s34s35;s20s21s35s36;s6s14s16s20s21s26s27s30s35s36s37;s10s30;s39;s20;s8s30s39;s21s41;s16s20s39s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</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">0.3000</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">464.0000</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:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">40 4</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">5 5 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="13">1 2 3 4 5 6 7 8 9 10 11 12 13</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-167.20621673</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-167.19480347</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-167.20051010</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.6410</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5625883E-05</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.242524</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.242524</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.242524</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.04051"
                        xFract="0.14366677"
                        y3="0.41073"
                        yFract="0.05671089"
                        z3="2.0000"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.66177"
                        xFract="0.64366649"
                        y3="2.22136"
                        yFract="0.30671075"
                        z3="3.81063"
                        zFract="0.15718784"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.4724"
                        xFract="0.89366635"
                        y3="0.41073"
                        yFract="0.05671089"
                        z3="3.81063"
                        zFract="0.15718784"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="4.66553"
                        xFract="0.64418565"
                        y3="0.4061"
                        yFract="0.05607161"
                        z3="5.61157"
                        zFract="0.23147631"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.49618"
                        xFract="0.89694974"
                        y3="2.21442"
                        yFract="0.30575252"
                        z3="5.63448"
                        zFract="0.23242134"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="4.67393"
                        xFract="0.64534546"
                        y3="2.21368"
                        yFract="0.30565035"
                        z3="7.36691"
                        zFract="0.30388379"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.46042"
                        xFract="0.89201223"
                        y3="0.38841"
                        yFract="0.05362909"
                        z3="7.45783"
                        zFract="0.30763422"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="4.71539"
                        xFract="0.65106999"
                        y3="0.39438"
                        yFract="0.05445339"
                        z3="9.58124"
                        zFract="0.39522452"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.4724"
                        xFract="0.89366635"
                        y3="2.22136"
                        yFract="0.30671075"
                        z3="2.0000"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.49153"
                        xFract="0.8963077"
                        y3="2.21264"
                        yFract="0.30550675"
                        z3="9.22406"
                        zFract="0.38049091"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="6.4724"
                        xFract="0.89366635"
                        y3="5.84262"
                        yFract="0.80671048"
                        z3="2.0000"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.66177"
                        xFract="0.64366649"
                        y3="5.84262"
                        yFract="0.80671048"
                        z3="3.81063"
                        zFract="0.15718784"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.4724"
                        xFract="0.89366635"
                        y3="4.03199"
                        yFract="0.55671062"
                        z3="3.81063"
                        zFract="0.15718784"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="4.67183"
                        xFract="0.64505551"
                        y3="4.02844"
                        yFract="0.55622046"
                        z3="5.61009"
                        zFract="0.23141526"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.4843"
                        xFract="0.89530943"
                        y3="5.84227"
                        yFract="0.80666215"
                        z3="5.63346"
                        zFract="0.23237927"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.67169"
                        xFract="0.64503618"
                        y3="5.83234"
                        yFract="0.80529108"
                        z3="7.39912"
                        zFract="0.30521244"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="6.46977"
                        xFract="0.89330322"
                        y3="4.02137"
                        yFract="0.55524428"
                        z3="7.4351"
                        zFract="0.30669661"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.66177"
                        xFract="0.64366649"
                        y3="4.03199"
                        yFract="0.55671062"
                        z3="2.0000"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="4.66177"
                        xFract="0.64366649"
                        y3="0.41073"
                        yFract="0.05671089"
                        z3="2.0000"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="2.87324"
                        xFract="0.39671805"
                        y3="5.87203"
                        yFract="0.81077122"
                        z3="9.22037"
                        zFract="0.3803387"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="1.09956"
                        xFract="0.15182"
                        y3="3.94702"
                        yFract="0.54497852"
                        z3="9.27375"
                        zFract="0.38254061"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.85114"
                        xFract="0.39366663"
                        y3="2.22136"
                        yFract="0.30671075"
                        z3="2.0000"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.04051"
                        xFract="0.14366677"
                        y3="2.22136"
                        yFract="0.30671075"
                        z3="3.81063"
                        zFract="0.15718784"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.85114"
                        xFract="0.39366663"
                        y3="0.41073"
                        yFract="0.05671089"
                        z3="3.81063"
                        zFract="0.15718784"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.04435"
                        xFract="0.14419697"
                        y3="0.4175"
                        yFract="0.05764565"
                        z3="5.62903"
                        zFract="0.23219653"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.84369"
                        xFract="0.39263798"
                        y3="2.21718"
                        yFract="0.30613361"
                        z3="5.63212"
                        zFract="0.23232399"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="1.05647"
                        xFract="0.14587042"
                        y3="2.20774"
                        yFract="0.30483019"
                        z3="7.50518"
                        zFract="0.3095874"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.88432"
                        xFract="0.3982479"
                        y3="0.4039"
                        yFract="0.05576785"
                        z3="7.44006"
                        zFract="0.30690121"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.01976"
                        xFract="0.14080174"
                        y3="0.47002"
                        yFract="0.06489727"
                        z3="9.27314"
                        zFract="0.38251545"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.87041"
                        xFract="0.3963273"
                        y3="2.2010"
                        yFract="0.30389958"
                        z3="9.23014"
                        zFract="0.38074171"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="1.04051"
                        xFract="0.14366677"
                        y3="4.03199"
                        yFract="0.55671062"
                        z3="2.0000"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.85114"
                        xFract="0.39366663"
                        y3="5.84262"
                        yFract="0.80671048"
                        z3="2.0000"
                        zFract="0.08249966"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="1.04051"
                        xFract="0.14366677"
                        y3="5.84262"
                        yFract="0.80671048"
                        z3="3.81063"
                        zFract="0.15718784"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.85114"
                        xFract="0.39366663"
                        y3="4.03199"
                        yFract="0.55671062"
                        z3="3.81063"
                        zFract="0.15718784"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="1.04983"
                        xFract="0.14495361"
                        y3="4.01653"
                        yFract="0.554576"
                        z3="5.62926"
                        zFract="0.23220602"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.85158"
                        xFract="0.39372738"
                        y3="5.83689"
                        yFract="0.80591932"
                        z3="5.63321"
                        zFract="0.23236896"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="1.05368"
                        xFract="0.14548519"
                        y3="5.83465"
                        yFract="0.80561003"
                        z3="7.43001"
                        zFract="0.30648665"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="2.88035"
                        xFract="0.39769975"
                        y3="4.03197"
                        yFract="0.55670785"
                        z3="7.45214"
                        zFract="0.30739951"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="4.64876"
                        xFract="0.64187015"
                        y3="4.0185"
                        yFract="0.55484801"
                        z3="9.44386"
                        zFract="0.38955762"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.49273"
                        xFract="0.89647338"
                        y3="5.79632"
                        yFract="0.80031768"
                        z3="9.21978"
                        zFract="0.38031436"/>
                  <atom elementType="O"
                        id="a41"
                        x3="1.55146"
                        xFract="0.21421538"
                        y3="6.39076"
                        yFract="0.88239404"
                        z3="10.61511"
                        zFract="0.43787149"/>
                  <atom elementType="O"
                        id="a42"
                        x3="4.68412"
                        xFract="0.64675243"
                        y3="2.21376"
                        yFract="0.3056614"
                        z3="10.09778"
                        zFract="0.41653171"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.57485"
                        xFract="0.0793715"
                        y3="5.27014"
                        yFract="0.72766621"
                        z3="10.61308"
                        zFract="0.43778775"/>
                  <atom elementType="O"
                        id="a44"
                        x3="4.68262"
                        xFract="0.64654532"
                        y3="5.81939"
                        yFract="0.80350303"
                        z3="10.08513"
                        zFract="0.4160099"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a1 a22" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a2 a13" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a19" order="S"/>
                  <bond atomRefs2="a2 a22" order="S"/>
                  <bond atomRefs2="a2 a24" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a19" order="S"/>
                  <bond atomRefs2="a3 a9" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a4 a24" order="S"/>
                  <bond atomRefs2="a4 a28" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a13" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a10" order="S"/>
                  <bond atomRefs2="a6 a30" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a38" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a6 a28" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a8 a42" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a19" order="S"/>
                  <bond atomRefs2="a10 a39" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a10 a42" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a18" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a32" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
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                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a18" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a26" order="S"/>
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                  <bond atomRefs2="a14 a15" order="S"/>
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                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a16" order="S"/>
                  <bond atomRefs2="a16 a40" order="S"/>
                  <bond atomRefs2="a16 a20" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a17 a40" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a18 a32" order="S"/>
                  <bond atomRefs2="a19 a24" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a39" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a20 a38" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a20 a41" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a21 a38" order="S"/>
                  <bond atomRefs2="a21 a30" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a31" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a34" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a28" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a39" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a34" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a38" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a39 a44" order="S"/>
                  <bond atomRefs2="a40 a44" order="S"/>
                  <bond atomRefs2="a41 a43" order="S"/>
               </bondArray>
               <formula concise="Cu40O4">
                  <atomArray count="40 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2605.8376000000003</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/40Cu.O2.2O/c;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-2;;/q;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;2*+1;-2;;">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;20;21;41,43;42;44/E:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;(1,2);;/CRV:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;1-1,2-1;;/rA:44CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4OO3/rB:;s2;s2s3;s2s3s4;s4s5;s4s5s6;;s2s3;s6s7s8;;s11;s2s5s9s11s12;s2s5s6s12s13;s12s13s14;s14s15;s5s6s10s14s15s16;s2s9s11s12s13;s2s3s9;s16;s20;s1s2s18s19;s1s22;s1s2s4s19s22s23;s23s24;s2s4s6s14s23s24s25;s21s25s26;s4s6s25s26s27;s27s28;s6s8s21s27s28s29;s22s23;s12s18s31;s31s32;s2s12s14s18s22s23s26s31s32s33;s23s26s27s33s34;s12s14s16s33s34s35;s20s21s35s36;s6s14s16s20s21s26s27s30s35s36s37;s10s20s30s38;s16s17s39;s20;s8s10s30s39;s21s41;s20s39s40;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
