<?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">2022-08-05T14:33:46.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</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="2.02222531"
                        xFract="0.2354121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.46483802"
                        xFract="0.9854121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="2.08488144"
                        yFract="0.24270605"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.31730045"
                        xFract="0.7354121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="6.37995658"
                        yFract="0.74270605"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="8.52749414"
                        yFract="0.99270605"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.16976288"
                        xFract="0.4854121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.02222531"
                        xFract="0.2354121"
                        y3="4.23241901"
                        yFract="0.49270605"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="O"
                        id="a49"
                        x3="7.39106923"
                        xFract="0.8604121"
                        y3="7.45372536"
                        yFract="0.86770605"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a50"
                        x3="7.39106923"
                        xFract="0.8604121"
                        y3="7.45372536"
                        yFract="0.86770605"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a51"
                        x3="0.94845653"
                        xFract="0.1104121"
                        y3="5.30618779"
                        yFract="0.61770605"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a52"
                        x3="5.24353167"
                        xFract="0.6104121"
                        y3="1.01111266"
                        yFract="0.11770605"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="O"
                        id="a53"
                        x3="3.0959941"
                        xFract="0.3604121"
                        y3="3.15865022"
                        yFract="0.36770605"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a54"
                        x3="0.94845653"
                        xFract="0.1104121"
                        y3="1.01111266"
                        yFract="0.11770605"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a55"
                        x3="0.94845653"
                        xFract="0.1104121"
                        y3="1.01111266"
                        yFract="0.11770605"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="O"
                        id="a56"
                        x3="0.94845653"
                        xFract="0.1104121"
                        y3="1.01111266"
                        yFract="0.11770605"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a57"
                        x3="3.0959941"
                        xFract="0.3604121"
                        y3="7.45372536"
                        yFract="0.86770605"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a58"
                        x3="0.94845653"
                        xFract="0.1104121"
                        y3="5.30618779"
                        yFract="0.61770605"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a59"
                        x3="3.0959941"
                        xFract="0.3604121"
                        y3="7.45372536"
                        yFract="0.86770605"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a60"
                        x3="0.94845653"
                        xFract="0.1104121"
                        y3="5.30618779"
                        yFract="0.61770605"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="O"
                        id="a61"
                        x3="3.0959941"
                        xFract="0.3604121"
                        y3="7.45372536"
                        yFract="0.86770605"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="O"
                        id="a62"
                        x3="7.39106923"
                        xFract="0.8604121"
                        y3="3.15865022"
                        yFract="0.36770605"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a63"
                        x3="7.39106923"
                        xFract="0.8604121"
                        y3="3.15865022"
                        yFract="0.36770605"
                        z3="4.14753768"
                        zFract="0.14395446"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a58" order="S"/>
                  <bond atomRefs2="a2 a61" order="S"/>
                  <bond atomRefs2="a2 a60" order="S"/>
                  <bond atomRefs2="a3 a59" order="S"/>
                  <bond atomRefs2="a6 a50" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a8 a50" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a10 a63" order="S"/>
                  <bond atomRefs2="a15 a62" order="S"/>
                  <bond atomRefs2="a16 a62" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a19 a63" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a22 a49" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a24 a49" order="S"/>
                  <bond atomRefs2="a25 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a51" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a30 a52" order="S"/>
                  <bond atomRefs2="a33 a55" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a35 a59" order="S"/>
                  <bond atomRefs2="a36 a53" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a42 a57" order="S"/>
                  <bond atomRefs2="a43 a57" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a45 a57" order="S"/>
                  <bond atomRefs2="a46 a59" order="S"/>
                  <bond atomRefs2="a47 a53" order="S"/>
                  <bond atomRefs2="a48 a51" order="S"/>
                  <bond atomRefs2="a48 a53" order="S"/>
               </bondArray>
               <formula concise="Cu48O15">
                  <atomArray count="48 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3290.1990000000005</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.15O">
                  <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;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63/rA:63CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4OOO4O0O1O1O4O1O4OO4O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s9s22s23s24;s6s7s8s39;s28s48;s20s30;s36s38s47s48;;s33;s29;s42s43s44s45;s1;s3s28s35s46;s2s34;s2s25s27s41;s15s16s17s21;s10s18s19s20;/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">618.0000</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">48 15</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">4 4 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="10">1 2 3 4 5 6 7 8 9 10</array>
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0.038555 0.010261 -0.018195 0.023996 0.083961 0.027919 0.011380 -0.012636 -0.034332 0.003257 0.022450 0.014558 0.009109 0.003525 1.474637 0.016741 0.026667 0.019379 0.027875 -0.070293 0.052199 -0.055169 0.028465 0.019005 -0.003868 0.017699 1.214042 -0.005509 0.045278 -0.026980 -0.029383 -0.002210 -0.013945 -0.253840 0.330648 0.016406 0.119036 -0.038869 0.005524 0.301725 -0.338226 0.056035</matrix>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-256.12043354</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-256.11688472</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-256.11865913</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.0431</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.9194544E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</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="2.02223"
                        xFract="0.23541265"
                        y3="4.23242"
                        yFract="0.49270617"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.02223"
                        xFract="0.23541265"
                        y3="6.37996"
                        yFract="0.74270645"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.25881"
                        xFract="0.26295349"
                        y3="-0.07994"
                        yFract="-0.00930601"
                        z3="7.21702"
                        zFract="0.25049133"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.46484"
                        xFract="0.98541233"
                        y3="6.37996"
                        yFract="0.74270645"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.46484"
                        xFract="0.98541233"
                        y3="8.52749"
                        yFract="0.99270557"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.1983"
                        xFract="0.95438377"
                        y3="6.45043"
                        yFract="0.75091003"
                        z3="6.99085"
                        zFract="0.24264132"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.83818"
                        xFract="0.67963654"
                        y3="6.13186"
                        yFract="0.71382453"
                        z3="8.92876"
                        zFract="0.30990311"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.03557"
                        xFract="0.00414079"
                        y3="-0.06046"
                        yFract="-0.00703829"
                        z3="8.97244"
                        zFract="0.31141917"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.52409"
                        xFract="0.75948497"
                        y3="-0.1442"
                        yFract="-0.01678667"
                        z3="10.45033"
                        zFract="0.36271439"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.3173"
                        xFract="0.73541205"
                        y3="4.23242"
                        yFract="0.49270617"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="7.70545"
                        xFract="0.89700992"
                        y3="3.87305"
                        yFract="0.45087104"
                        z3="12.1920"
                        zFract="0.423165"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.30716"
                        xFract="0.96705642"
                        y3="2.19635"
                        yFract="0.25568237"
                        z3="10.49124"
                        zFract="0.36413431"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.17645"
                        xFract="0.71901536"
                        y3="2.06397"
                        yFract="0.2402717"
                        z3="11.67734"
                        zFract="0.40530197"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.97192"
                        xFract="0.69520553"
                        y3="4.28266"
                        yFract="0.49855472"
                        z3="10.46812"
                        zFract="0.36333186"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.23834"
                        xFract="0.95904492"
                        y3="4.26275"
                        yFract="0.49623695"
                        z3="8.95226"
                        zFract="0.31071876"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.91732"
                        xFract="0.68884942"
                        y3="2.13455"
                        yFract="0.24848809"
                        z3="9.10095"
                        zFract="0.31587955"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.39627"
                        xFract="0.97742993"
                        y3="2.14065"
                        yFract="0.2491982"
                        z3="7.11449"
                        zFract="0.24693267"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.46484"
                        xFract="0.98541233"
                        y3="4.23242"
                        yFract="0.49270617"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.46484"
                        xFract="0.98541233"
                        y3="2.08488"
                        yFract="0.24270588"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.3173"
                        xFract="0.73541205"
                        y3="2.08488"
                        yFract="0.24270588"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.03427"
                        xFract="0.70246385"
                        y3="4.4841"
                        yFract="0.52200484"
                        z3="6.88596"
                        zFract="0.23900076"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.29268"
                        xFract="0.73254597"
                        y3="5.97564"
                        yFract="0.69563859"
                        z3="12.2016"
                        zFract="0.4234982"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.04563"
                        xFract="0.0053119"
                        y3="6.33185"
                        yFract="0.73710585"
                        z3="11.09459"
                        zFract="0.38507564"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="-0.45845"
                        xFract="-0.05336926"
                        y3="0.65693"
                        yFract="0.0764748"
                        z3="12.38358"
                        zFract="0.42981444"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.16976"
                        xFract="0.48541176"
                        y3="6.37996"
                        yFract="0.74270645"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3173"
                        xFract="0.73541205"
                        y3="8.52749"
                        yFract="0.99270557"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.16976"
                        xFract="0.48541176"
                        y3="8.52749"
                        yFract="0.99270557"
                        z3="5.22131"
                        zFract="0.1812234"/>
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                        id="a28"
                        x3="2.30845"
                        xFract="0.2687322"
                        y3="6.32872"
                        yFract="0.73674148"
                        z3="8.93045"
                        zFract="0.30996177"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.38196"
                        xFract="0.27728968"
                        y3="2.3944"
                        yFract="0.27873785"
                        z3="8.7266"
                        zFract="0.30288646"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.10375"
                        xFract="0.47772738"
                        y3="2.46184"
                        yFract="0.2865887"
                        z3="7.05469"
                        zFract="0.24485711"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.16976"
                        xFract="0.48541176"
                        y3="4.23242"
                        yFract="0.49270617"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.16976"
                        xFract="0.48541176"
                        y3="2.08488"
                        yFract="0.24270588"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.02223"
                        xFract="0.23541265"
                        y3="2.08488"
                        yFract="0.24270588"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.35827"
                        xFract="0.27453187"
                        y3="4.1310"
                        yFract="0.48089962"
                        z3="6.94372"
                        zFract="0.24100552"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.27804"
                        xFract="0.4980169"
                        y3="6.13692"
                        yFract="0.71441358"
                        z3="6.8210"
                        zFract="0.2367461"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="1.14899"
                        xFract="0.13375668"
                        y3="2.44196"
                        yFract="0.28427442"
                        z3="12.47008"
                        zFract="0.43281671"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.10935"
                        xFract="0.47837929"
                        y3="4.29956"
                        yFract="0.50052209"
                        z3="8.81267"
                        zFract="0.30587381"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.01423"
                        xFract="0.46730614"
                        y3="2.3380"
                        yFract="0.27217219"
                        z3="10.63507"
                        zFract="0.36912643"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.29658"
                        xFract="0.73299998"
                        y3="8.52191"
                        yFract="0.99205599"
                        z3="7.30565"
                        zFract="0.25356753"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.3173"
                        xFract="0.73541205"
                        y3="6.37996"
                        yFract="0.74270645"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.02223"
                        xFract="0.23541265"
                        y3="8.52749"
                        yFract="0.99270557"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.59186"
                        xFract="0.53454944"
                        y3="0.16624"
                        yFract="0.0193524"
                        z3="11.77776"
                        zFract="0.40878738"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.23968"
                        xFract="0.49355132"
                        y3="6.25589"
                        yFract="0.72826316"
                        z3="10.77369"
                        zFract="0.37393771"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.28739"
                        xFract="0.26628056"
                        y3="5.95327"
                        yFract="0.69303444"
                        z3="12.38286"
                        zFract="0.42978945"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.09703"
                        xFract="0.24412029"
                        y3="0.10038"
                        yFract="0.01168548"
                        z3="10.94588"
                        zFract="0.37991415"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.30928"
                        xFract="0.50165362"
                        y3="0.29211"
                        yFract="0.03400523"
                        z3="9.25951"
                        zFract="0.32138292"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.53319"
                        xFract="0.52771952"
                        y3="4.27061"
                        yFract="0.49715195"
                        z3="12.38648"
                        zFract="0.42991509"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.07125"
                        xFract="0.24111918"
                        y3="4.16005"
                        yFract="0.4842814"
                        z3="10.80954"
                        zFract="0.375182"/>
                  <atom elementType="O"
                        id="a49"
                        x3="7.53439"
                        xFract="0.87709641"
                        y3="7.44811"
                        yFract="0.86705235"
                        z3="12.08565"
                        zFract="0.41947376"/>
                  <atom elementType="O"
                        id="a50"
                        x3="7.28902"
                        xFract="0.8485323"
                        y3="7.36785"
                        yFract="0.85770909"
                        z3="8.39543"
                        zFract="0.29139207"/>
                  <atom elementType="O"
                        id="a51"
                        x3="0.95343"
                        xFract="0.11099107"
                        y3="5.31577"
                        yFract="0.61882154"
                        z3="9.78006"
                        zFract="0.33945038"/>
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                        id="a52"
                        x3="5.21077"
                        xFract="0.60659824"
                        y3="1.04943"
                        yFract="0.12216666"
                        z3="6.30212"
                        zFract="0.2187366"/>
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                        id="a53"
                        x3="2.94588"
                        xFract="0.34293696"
                        y3="3.12051"
                        yFract="0.36326605"
                        z3="12.15341"
                        zFract="0.4218256"/>
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                        id="a54"
                        x3="0.94846"
                        xFract="0.1104125"
                        y3="1.01111"
                        yFract="0.11770574"
                        z3="2.0000"
                        zFract="0.06941683"/>
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                        id="a55"
                        x3="0.98953"
                        xFract="0.11519356"
                        y3="0.94424"
                        yFract="0.10992124"
                        z3="6.35259"
                        zFract="0.22048833"/>
                  <atom elementType="O"
                        id="a56"
                        x3="1.21722"
                        xFract="0.1416995"
                        y3="1.18252"
                        yFract="0.13765999"
                        z3="9.67347"
                        zFract="0.33575081"/>
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                        id="a57"
                        x3="3.09946"
                        xFract="0.36081557"
                        y3="7.61642"
                        yFract="0.88664572"
                        z3="12.10992"
                        zFract="0.42031613"/>
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                        id="a58"
                        x3="0.94846"
                        xFract="0.1104125"
                        y3="5.30619"
                        yFract="0.61770631"
                        z3="2.0000"
                        zFract="0.06941683"/>
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                        id="a59"
                        x3="3.5233"
                        xFract="0.41015581"
                        y3="7.49034"
                        yFract="0.87196845"
                        z3="8.09486"
                        zFract="0.28095976"/>
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                        id="a60"
                        x3="0.94338"
                        xFract="0.10982113"
                        y3="5.30824"
                        yFract="0.61794495"
                        z3="6.33253"
                        zFract="0.21979208"/>
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                        id="a61"
                        x3="3.09599"
                        xFract="0.36041162"
                        y3="7.45373"
                        yFract="0.86770659"
                        z3="4.14754"
                        zFract="0.14395454"/>
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                        id="a62"
                        x3="7.10833"
                        xFract="0.82749775"
                        y3="3.19759"
                        yFract="0.37223912"
                        z3="7.91747"
                        zFract="0.27480284"/>
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                        id="a63"
                        x3="7.39107"
                        xFract="0.86041219"
                        y3="3.15865"
                        yFract="0.36770602"
                        z3="4.14754"
                        zFract="0.14395454"/>
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               <bondArray>
                  <bond atomRefs2="a1 a58" order="S"/>
                  <bond atomRefs2="a2 a60" order="S"/>
                  <bond atomRefs2="a2 a61" order="S"/>
                  <bond atomRefs2="a3 a55" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a50" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a7 a50" order="S"/>
                  <bond atomRefs2="a8 a56" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a10 a63" order="S"/>
                  <bond atomRefs2="a11 a22" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a15 a62" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a62" order="S"/>
                  <bond atomRefs2="a17 a62" order="S"/>
                  <bond atomRefs2="a18 a63" order="S"/>
                  <bond atomRefs2="a19 a63" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a20 a63" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a35" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a22 a49" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a23 a51" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a25 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a51" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a56" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a52" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a35" order="S"/>
                  <bond atomRefs2="a33 a55" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a59" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a53" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a44 a57" order="S"/>
                  <bond atomRefs2="a45 a56" order="S"/>
                  <bond atomRefs2="a47 a53" order="S"/>
                  <bond atomRefs2="a48 a53" order="S"/>
                  <bond atomRefs2="a48 a51" order="S"/>
               </bondArray>
               <formula concise="Cu48O15">
                  <atomArray count="48 15" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3290.1990000000005</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.15O">
                  <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;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63/rA:63CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O3O3OO4O0OO3O1O1OOO4O4O4/rB:;;;;;;;;;;s11;s9s11s12;s7s11s13;s12;s13s14;;;;;s7;s11s14;;;;;;;;s29;s21s30;;;s29s30s31;s7s21s31;s24;s7s14s29s30s34;s13s16s29s37;;s6s21s35;;s9s13s38;s7s14s22s28;s23s43;s42;s9s16s38s42;s14s22s38s43;s36s38s44;s22;s6s7s39;s23s28s48;s20s30;s36s38s47s48;;s3s33;s8s29s45;s44;s1;s28s35;s2s34;s2s25s27s41;s15s16s17s21;s10s18s19s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
