<?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 May 11 2017 09:47:33) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">tekla2IFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2020-01-19T03:05:29.000+01:00</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.707869219</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.707869219</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.2846449"
                        xFract="0.16666667"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.2846449"
                        xFract="0.16666667"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.2846449"
                        xFract="0.16666667"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="3.85393461"
                        xFract="0.5000"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.85393461"
                        xFract="0.5000"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="3.85393461"
                        xFract="0.5000"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.42322432"
                        xFract="0.83333333"
                        y3="1.2846449"
                        yFract="0.16666667"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.42322432"
                        xFract="0.83333333"
                        y3="3.85393461"
                        yFract="0.5000"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.42322432"
                        xFract="0.83333333"
                        y3="6.42322432"
                        yFract="0.83333333"
                        z3="1.8167622"
                        zFract="0.09083811"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.56928971"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="2.56928971"
                        xFract="0.33333333"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="2.56928971"
                        xFract="0.33333333"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.13857951"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="5.13857951"
                        xFract="0.66666667"
                        y3="2.56928971"
                        yFract="0.33333333"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="5.13857951"
                        xFract="0.66666667"
                        y3="5.13857951"
                        yFract="0.66666667"
                        z3="3.6335244"
                        zFract="0.18167622"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.29722899"
                        xFract="0.1682993"
                        y3="1.29245859"
                        yFract="0.1676804"
                        z3="5.442438"
                        zFract="0.2721219"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="1.28208334"
                        xFract="0.16633434"
                        y3="3.83508093"
                        yFract="0.49755397"
                        z3="5.4428652"
                        zFract="0.27214326"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="1.27168951"
                        xFract="0.16498587"
                        y3="6.41900534"
                        yFract="0.83278597"
                        z3="5.413953"
                        zFract="0.27069765"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.84817498"
                        xFract="0.49925276"
                        y3="1.31441246"
                        yFract="0.17052864"
                        z3="5.4583588"
                        zFract="0.27291794"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="3.83413147"
                        xFract="0.49743079"
                        y3="3.83579923"
                        yFract="0.49764716"
                        z3="5.424487"
                        zFract="0.27122435"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.8644002"
                        xFract="0.50135778"
                        y3="6.42488159"
                        yFract="0.83354834"
                        z3="5.4255044"
                        zFract="0.27127522"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.39573629"
                        xFract="0.8297671"
                        y3="1.30772804"
                        yFract="0.16966142"
                        z3="5.4439418"
                        zFract="0.27219709"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.40605612"
                        xFract="0.83110597"
                        y3="3.86667317"
                        yFract="0.50165267"
                        z3="5.4171228"
                        zFract="0.27085614"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.40743699"
                        xFract="0.83128512"
                        y3="6.42686074"
                        yFract="0.83380511"
                        z3="5.4439072"
                        zFract="0.27219536"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.70421114"
                        xFract="0.99952541"
                        y3="0.00907262"
                        yFract="0.00117706"
                        z3="7.1724886"
                        zFract="0.35862443"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="7.67702749"
                        xFract="0.99599867"
                        y3="2.56133912"
                        yFract="0.33230184"
                        z3="7.1615794"
                        zFract="0.35807897"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="7.70279821"
                        xFract="0.9993421"
                        y3="5.15493291"
                        yFract="0.66878832"
                        z3="7.1640574"
                        zFract="0.35820287"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.56542406"
                        xFract="0.33283181"
                        y3="7.66279776"
                        yFract="0.99415254"
                        z3="7.1708942"
                        zFract="0.35854471"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.52239242"
                        xFract="0.32724899"
                        y3="2.48698139"
                        yFract="0.32265485"
                        z3="7.2794214"
                        zFract="0.36397107"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.54731111"
                        xFract="0.33048188"
                        y3="5.16756487"
                        yFract="0.67042716"
                        z3="7.1463268"
                        zFract="0.35731634"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="5.13727811"
                        xFract="0.66649783"
                        y3="0.03611306"
                        yFract="0.00468522"
                        z3="7.1850062"
                        zFract="0.35925031"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.13761178"
                        xFract="0.66654112"
                        y3="2.64493127"
                        yFract="0.34314688"
                        z3="7.299248"
                        zFract="0.3649624"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.08980542"
                        xFract="0.66033884"
                        y3="5.15646947"
                        yFract="0.66898767"
                        z3="7.2223638"
                        zFract="0.36111819"/>
                  <atom elementType="C"
                        id="a37"
                        x3="4.91985816"
                        xFract="0.6382903"
                        y3="3.92180263"
                        yFract="0.50880503"
                        z3="8.9106082"
                        zFract="0.44553041"/>
                  <atom elementType="C"
                        id="a38"
                        x3="3.52382723"
                        xFract="0.45717268"
                        y3="3.98967897"
                        yFract="0.51761114"
                        z3="9.5331358"
                        zFract="0.47665679"/>
                  <atom elementType="C"
                        id="a39"
                        x3="3.27160208"
                        xFract="0.42444961"
                        y3="4.9522003"
                        yFract="0.64248629"
                        z3="10.660438"
                        zFract="0.5330219"/>
                  <atom elementType="H"
                        id="a40"
                        x3="3.82205425"
                        xFract="0.49586392"
                        y3="5.89181592"
                        yFract="0.76438971"
                        z3="10.5093936"
                        zFract="0.52546968"/>
                  <atom elementType="H"
                        id="a41"
                        x3="2.19038713"
                        xFract="0.28417544"
                        y3="5.13227909"
                        yFract="0.66584927"
                        z3="10.7402986"
                        zFract="0.53701493"/>
                  <atom elementType="H"
                        id="a42"
                        x3="3.63406386"
                        xFract="0.47147451"
                        y3="4.50695184"
                        yFract="0.58472085"
                        z3="11.600918"
                        zFract="0.5800459"/>
                  <atom elementType="O"
                        id="a43"
                        x3="5.89968134"
                        xFract="0.76541015"
                        y3="4.23886868"
                        yFract="0.5499404"
                        z3="9.6179758"
                        zFract="0.48089879"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.61648615"
                        xFract="0.33945648"
                        y3="3.19902972"
                        yFract="0.41503425"
                        z3="9.1671948"
                        zFract="0.45835974"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a11" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a5 a15" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a22 a35" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a30 a36" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
               </bondArray>
               <formula concise="C3H3Cu36O2">
                  <atomArray count="3 3 36 2" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2355.6869</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C3H3O2.36Cu/c1-3(5)2-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:39,37,38,43,44;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;33;34;35;36;32/CRV:2.2,3.3,4.1,5-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCC3CHHHO1O/rB:s1;s2;s1;s2s4;s3s5;s4;s5s7;s6s8;s1;s1s2s10;s2s3s11;s1s4s10;s1s2s4s5s11s13;s2s3s5s6s12s14;s4s7s13;s4s5s7s8s14s16;s5s6s8s9s15s17;s10s11s13s14;s11s12s14s15s19;s12s15s20;s13s14s16s17s19;s14s15s17s18s20s22;s15s18s21s23;s16s17s22;s17s18s23s25;s18s24s26;s25;s25s26s28;s26s27s29;s21s24;s19s20s22s23;s20s21s23s24s31s32;s22s25s28;s22s23s25s26s29s32s34;s23s24s26s27s30s33s35;s35s36;s37;s38;s39;s39;s39;s37;s32s38;/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-02</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.5E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">423.0000</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="4">PAW_PBE Cu 22Jun2005|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="4">Cu C H O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="4">63.55 12.01 1.00 16.00</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="4">11.00 4.00 1.00 6.00</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">36 3 3 2</array>
               </module>
               <module cmlx:templateRef="lattice" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">7.707869219 0.000000000 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 7.707869219 0.000000000</array>
                  <array dataType="xsd:double" dictRef="cc:lattice" size="3">0.000000000 0.000000000 20.000000000</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="10">1 2 3 4 5 6 7 8 9 10</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2400">-22.5692 -21.7302 -14.5634 -11.9045 -9.0523 -8.5289 -7.6331 -7.3701 -7.0335 -6.8095 -6.2437 -6.2390 -6.2001 -6.1871 -5.7822 -5.7326 -5.3440 -5.2040 -5.1018 -5.0685 -5.0421 -4.9738 -4.7946 -4.7288 -4.7201 -4.7082 -4.7017 -4.5371 -4.1949 -4.1870 -4.1494 -4.1056 -4.0869 -4.0137 -3.9835 -3.9805 -3.9767 -3.9185 -3.9046 -3.9008 -3.8936 -3.8424 -3.8391 -3.8348 -3.8275 -3.8217 -3.8153 -3.7987 -3.7902 -3.7823 -3.7762 -3.7700 -3.7539 -3.6535 -3.6043 -3.4947 -3.4919 -3.4779 -3.4682 -3.3660 -3.3490 -3.3350 -3.3198 -3.3145 -3.3071 -3.2928 -3.2589 -3.1863 -3.1735 -3.1679 -3.1331 -3.1085 -3.0314 -3.0246 -3.0124 -3.0002 -2.9673 -2.9597 -2.9393 -2.9358 -2.8857 -2.8631 -2.8597 -2.8426 -2.8369 -2.8128 -2.8107 -2.8050 -2.8010 -2.7870 -2.7807 -2.7627 -2.7418 -2.7341 -2.7213 -2.7001 -2.6968 -2.6889 -2.6792 -2.6699 -2.6610 -2.6553 -2.6497 -2.6451 -2.6395 -2.6069 -2.5983 -2.5935 -2.5926 -2.5903 -2.5839 -2.4050 -2.3618 -2.3499 -2.3006 -2.2947 -2.2807 -2.2616 -2.2552 -2.2324 -2.2271 -2.2178 -2.1972 -2.1922 -2.1802 -2.1775 -2.1761 -2.1705 -2.1476 -2.1463 -2.1283 -2.1221 -2.1135 -2.0966 -2.0825 -2.0761 -2.0669 -2.0368 -2.0108 -2.0000 -1.9936 -1.9852 -1.9719 -1.9511 -1.9420 -1.9371 -1.9309 -1.9290 -1.9268 -1.9264 -1.9224 -1.9053 -1.8846 -1.8598 -1.8411 -1.8147 -1.8116 -1.7985 -1.7851 -1.7805 -1.7739 -1.7693 -1.7509 -1.7482 -1.7421 -1.7259 -1.7176 -1.7159 -1.6940 -1.6791 -1.6713 -1.6644 -1.6546 -1.6440 -1.6416 -1.6378 -1.6278 -1.6167 -1.6105 -1.5941 -1.5933 -1.5882 -1.5806 -1.5689 -1.5625 -1.5574 -1.5534 -1.5324 -1.4828 -1.4770 -1.4697 -1.4540 -1.4243 -1.4227 -1.4188 -1.4060 -1.3911 -1.3877 -1.3751 -1.3704 -1.3621 -1.3582 -1.3565 -1.3479 -1.1554 -1.0995 -1.0806 -1.0101 -0.5814 -0.3856 -0.2839 -0.1261 -0.0740 0.1536 0.2218 0.3127 0.4246 0.7221 1.0318 1.6677 2.1809 2.2997 2.3338 2.3633 2.4109 2.5337 2.7773 3.2722 3.5037 3.9084 4.0914 4.1169 4.1546 4.1699 4.5863 4.6642 4.7148 4.7585 4.7931 4.8274 -22.5693 -21.7304 -14.5635 -11.9029 -9.0357 -8.3886 -7.6468 -7.3725 -7.1219 -7.0326 -6.6832 -6.1132 -6.0746 -5.8828 -5.7250 -5.5663 -5.3188 -5.2546 -5.1960 -5.1426 -5.1270 -4.9604 -4.9233 -4.7601 -4.6837 -4.4604 -4.4510 -4.4427 -4.2526 -4.2431 -4.2134 -4.1494 -4.1407 -4.1295 -4.1040 -4.0574 -4.0449 -3.9743 -3.9610 -3.9340 -3.9149 -3.9086 -3.8536 -3.8045 -3.7928 -3.7857 -3.7790 -3.7415 -3.7314 -3.7165 -3.7016 -3.6852 -3.6454 -3.5961 -3.5860 -3.5580 -3.5218 -3.5074 -3.4581 -3.4531 -3.3692 -3.3467 -3.2961 -3.2831 -3.2704 -3.2509 -3.2406 -3.2249 -3.1966 -3.1748 -3.1291 -3.1160 -3.1113 -3.1007 -3.0875 -3.0454 -2.9982 -2.9862 -2.9766 -2.9652 -2.9539 -2.9309 -2.8984 -2.8904 -2.8675 -2.8208 -2.7997 -2.7840 -2.7776 -2.7674 -2.7479 -2.7443 -2.7371 -2.7296 -2.7270 -2.7205 -2.7044 -2.6947 -2.6853 -2.6679 -2.6594 -2.6483 -2.6422 -2.6339 -2.6259 -2.6210 -2.5865 -2.5545 -2.5372 -2.5246 -2.5135 -2.4734 -2.4269 -2.3956 -2.3518 -2.3288 -2.3145 -2.2992 -2.2916 -2.2804 -2.2664 -2.2425 -2.2295 -2.2199 -2.2103 -2.2066 -2.1990 -2.1895 -2.1824 -2.1722 -2.1502 -2.1460 -2.1400 -2.1218 -2.1072 -2.0726 -2.0653 -2.0507 -2.0349 -2.0224 -2.0137 -1.9945 -1.9845 -1.9818 -1.9731 -1.9632 -1.9434 -1.9351 -1.9021 -1.8916 -1.8819 -1.8710 -1.8591 -1.8559 -1.8393 -1.8188 -1.8076 -1.7926 -1.7834 -1.7791 -1.7704 -1.7662 -1.7456 -1.7355 -1.7164 -1.7064 -1.7024 -1.6906 -1.6813 -1.6638 -1.6583 -1.6524 -1.6456 -1.6344 -1.6246 -1.6170 -1.6095 -1.6037 -1.5954 -1.5783 -1.5724 -1.5640 -1.5543 -1.5451 -1.5365 -1.5268 -1.4947 -1.4711 -1.4657 -1.4544 -1.4479 -1.4265 -1.4182 -1.4143 -1.4049 -1.3906 -1.3868 -1.3771 -1.3611 -1.3488 -1.3427 -1.3355 -1.3196 -1.2926 -1.2407 -1.0878 -0.8518 -0.5782 -0.4967 -0.1901 -0.1324 -0.0640 -0.0264 0.0618 0.3156 0.6242 0.8665 1.3607 1.3976 1.4393 1.5292 1.6290 1.8168 2.1749 2.5635 2.9979 3.0788 3.2539 3.2942 3.5483 3.6419 3.7275 3.8021 4.0138 4.1022 4.2138 4.2542 4.3701 4.7179 4.8934 -22.5692 -21.7306 -14.5635 -11.9013 -9.0217 -8.0010 -7.9205 -7.5486 -7.3347 -7.0411 -6.3552 -6.2849 -5.8528 -5.7718 -5.7076 -5.6900 -5.5956 -5.5724 -5.2682 -5.1389 -4.7733 -4.7132 -4.6704 -4.6458 -4.6391 -4.6046 -4.4768 -4.3979 -4.2950 -4.2926 -4.2837 -4.2621 -4.2433 -4.2293 -4.1021 -4.0131 -4.0040 -3.9727 -3.9558 -3.9499 -3.9432 -3.9361 -3.9246 -3.8973 -3.8903 -3.8647 -3.7283 -3.6416 -3.6299 -3.6282 -3.6242 -3.6196 -3.5720 -3.5282 -3.5240 -3.5116 -3.4932 -3.4809 -3.4721 -3.4573 -3.4501 -3.4052 -3.3840 -3.3283 -3.3163 -3.3106 -3.3064 -3.2883 -3.2725 -3.1309 -3.1169 -3.1122 -3.1004 -3.0900 -3.0757 -3.0660 -3.0580 -3.0513 -3.0439 -3.0385 -3.0202 -2.9311 -2.8865 -2.8364 -2.8286 -2.8207 -2.8041 -2.8024 -2.7794 -2.7623 -2.7478 -2.7422 -2.7362 -2.7318 -2.7295 -2.7264 -2.7203 -2.7036 -2.6888 -2.6841 -2.6724 -2.6483 -2.6407 -2.6178 -2.6004 -2.5966 -2.5684 -2.5603 -2.4757 -2.4727 -2.4385 -2.4157 -2.4077 -2.4020 -2.3953 -2.3914 -2.3769 -2.3737 -2.3570 -2.3491 -2.3251 -2.3154 -2.2847 -2.2790 -2.2746 -2.2543 -2.2478 -2.2349 -2.2193 -2.2065 -2.1885 -2.1824 -2.1707 -2.0839 -2.0692 -2.0605 -2.0565 -2.0384 -2.0156 -2.0084 -1.9957 -1.9923 -1.9811 -1.9730 -1.9635 -1.9600 -1.9401 -1.9329 -1.9251 -1.9003 -1.8827 -1.8583 -1.8411 -1.8315 -1.8148 -1.8067 -1.7922 -1.7870 -1.7790 -1.7634 -1.7567 -1.7519 -1.7441 -1.7398 -1.7284 -1.7255 -1.7227 -1.7167 -1.6933 -1.6808 -1.6754 -1.6537 -1.6503 -1.6455 -1.6345 -1.6257 -1.6222 -1.6138 -1.5837 -1.5760 -1.5752 -1.5462 -1.5446 -1.5378 -1.5313 -1.5236 -1.5046 -1.4933 -1.4595 -1.4406 -1.4322 -1.4282 -1.4111 -1.4096 -1.4018 -1.3798 -1.3460 -1.3432 -1.3368 -1.3057 -1.3044 -1.2640 -1.1912 -1.0502 -1.0067 -0.9810 -0.9047 -0.2763 -0.2407 -0.1502 -0.0144 0.0862 0.3558 0.5354 0.5808 0.6013 0.8537 0.9779 1.4076 1.4215 1.4714 1.4845 1.7537 2.5859 2.6313 2.7439 3.0570 3.0923 3.1061 3.1342 3.1909 3.2305 3.3778 3.5201 3.8208 4.2761 4.5379 4.5764 4.6102 4.6460 -22.5694 -21.7303 -14.5635 -11.9044 -9.0358 -8.3865 -7.6333 -7.3784 -7.1343 -7.0284 -6.6858 -6.1133 -6.0622 -5.8831 -5.7458 -5.5500 -5.3338 -5.2553 -5.1955 -5.1681 -5.1040 -4.9696 -4.8850 -4.7539 -4.6986 -4.4604 -4.4518 -4.4459 -4.2524 -4.2445 -4.2040 -4.1802 -4.1389 -4.1289 -4.0867 -4.0557 -4.0457 -3.9804 -3.9562 -3.9348 -3.9093 -3.9052 -3.8394 -3.8242 -3.7907 -3.7867 -3.7815 -3.7533 -3.7351 -3.7135 -3.7087 -3.6943 -3.6226 -3.5925 -3.5857 -3.5656 -3.5206 -3.5074 -3.4651 -3.4210 -3.3657 -3.3260 -3.2926 -3.2795 -3.2734 -3.2608 -3.2491 -3.2285 -3.1906 -3.1766 -3.1254 -3.1199 -3.1140 -3.0996 -3.0875 -3.0474 -3.0081 -2.9933 -2.9731 -2.9540 -2.9497 -2.9172 -2.9108 -2.8893 -2.8549 -2.8157 -2.7994 -2.7788 -2.7721 -2.7582 -2.7540 -2.7462 -2.7404 -2.7343 -2.7202 -2.7176 -2.7075 -2.6996 -2.6850 -2.6825 -2.6590 -2.6511 -2.6451 -2.6327 -2.6260 -2.6087 -2.5910 -2.5510 -2.5346 -2.5261 -2.5149 -2.4982 -2.4149 -2.4025 -2.3602 -2.3282 -2.3181 -2.3043 -2.2936 -2.2829 -2.2621 -2.2538 -2.2328 -2.2242 -2.2130 -2.2048 -2.1990 -2.1860 -2.1806 -2.1694 -2.1663 -2.1491 -2.1433 -2.1167 -2.1005 -2.0883 -2.0653 -2.0584 -2.0413 -2.0206 -2.0096 -1.9989 -1.9851 -1.9808 -1.9702 -1.9687 -1.9445 -1.9288 -1.9112 -1.8911 -1.8799 -1.8668 -1.8554 -1.8410 -1.8298 -1.8224 -1.8098 -1.7979 -1.7897 -1.7832 -1.7774 -1.7618 -1.7445 -1.7214 -1.7104 -1.7065 -1.6916 -1.6840 -1.6718 -1.6641 -1.6575 -1.6491 -1.6413 -1.6348 -1.6270 -1.6193 -1.6099 -1.6018 -1.6009 -1.5930 -1.5687 -1.5626 -1.5564 -1.5426 -1.5372 -1.5305 -1.5056 -1.4841 -1.4623 -1.4463 -1.4438 -1.4339 -1.4170 -1.4092 -1.4037 -1.3961 -1.3889 -1.3804 -1.3668 -1.3592 -1.3445 -1.3375 -1.3332 -1.2459 -1.2217 -1.0895 -0.8411 -0.5871 -0.4455 -0.3605 -0.1033 -0.0798 0.0406 0.1762 0.2893 0.5018 0.9002 1.3674 1.4277 1.4476 1.5251 1.6402 1.7134 2.2758 2.6483 2.8611 3.0139 3.2747 3.3201 3.5365 3.7105 3.7877 3.8745 4.0349 4.0553 4.1708 4.2707 4.4373 4.5308 4.9400 -22.5693 -21.7305 -14.5635 -11.9028 -9.0247 -8.2453 -7.6282 -7.3800 -7.0442 -6.9972 -6.9672 -6.5584 -5.9678 -5.8520 -5.7297 -5.5864 -5.3847 -5.2456 -5.1724 -5.1290 -5.1110 -4.6726 -4.6626 -4.6165 -4.5995 -4.5740 -4.5583 -4.4320 -4.3783 -4.2983 -4.1685 -4.1343 -4.1090 -4.0908 -4.0818 -4.0547 -4.0120 -3.9984 -3.9707 -3.9328 -3.9256 -3.9063 -3.9001 -3.8962 -3.8939 -3.8167 -3.7634 -3.7419 -3.7200 -3.7084 -3.7058 -3.6831 -3.6398 -3.5761 -3.5693 -3.5631 -3.5086 -3.4915 -3.3973 -3.3802 -3.3622 -3.3560 -3.3424 -3.3171 -3.3081 -3.2538 -3.2492 -3.2363 -3.2213 -3.2085 -3.1363 -3.1283 -3.1213 -3.1049 -3.0961 -3.0877 -3.0200 -3.0013 -2.9816 -2.9743 -2.9316 -2.9142 -2.8972 -2.8909 -2.8864 -2.8766 -2.8733 -2.8212 -2.8167 -2.7986 -2.7601 -2.7504 -2.7433 -2.7374 -2.7297 -2.7223 -2.7144 -2.7034 -2.6896 -2.6733 -2.6542 -2.6277 -2.6046 -2.5993 -2.5910 -2.5825 -2.5668 -2.5604 -2.5525 -2.5303 -2.5063 -2.4901 -2.4426 -2.4083 -2.3751 -2.3458 -2.3404 -2.3256 -2.3013 -2.2793 -2.2596 -2.2564 -2.2541 -2.2446 -2.2278 -2.2210 -2.2115 -2.2036 -2.1922 -2.1846 -2.1756 -2.1487 -2.1416 -2.1359 -2.1285 -2.1236 -2.1216 -2.1177 -2.1068 -2.0675 -2.0507 -2.0442 -2.0389 -2.0235 -2.0203 -2.0071 -1.9922 -1.9808 -1.9667 -1.9284 -1.9143 -1.8965 -1.8765 -1.8718 -1.8481 -1.8422 -1.8335 -1.8158 -1.7976 -1.7884 -1.7667 -1.7497 -1.7210 -1.7116 -1.7018 -1.6963 -1.6838 -1.6728 -1.6652 -1.6503 -1.6377 -1.6260 -1.6218 -1.6114 -1.6049 -1.5925 -1.5797 -1.5720 -1.5632 -1.5569 -1.5525 -1.5418 -1.5345 -1.5277 -1.5252 -1.5167 -1.5040 -1.4828 -1.4706 -1.4554 -1.4483 -1.4433 -1.4345 -1.4119 -1.4064 -1.3942 -1.3785 -1.3513 -1.3028 -1.2628 -1.1893 -1.0519 -1.0421 -1.0046 -0.8825 -0.8594 -0.6995 -0.6464 -0.6073 -0.5473 0.0061 0.2012 0.4251 0.5454 0.6002 0.6676 0.8298 0.9635 1.2159 1.5897 1.6393 1.7664 1.9402 2.2956 2.4842 2.6568 2.6762 2.7075 2.7900 3.1787 3.2273 3.3153 3.6512 3.6992 3.8577 4.0700 4.1798 4.3877 4.4483 4.6630 -22.5692 -21.7306 -14.5635 -11.9011 -9.0162 -7.8788 -7.7733 -7.5180 -7.3319 -7.0414 -6.5801 -6.5663 -6.2393 -6.1568 -5.7549 -5.6454 -5.3166 -5.2060 -5.1039 -5.0202 -4.8670 -4.8486 -4.6755 -4.6169 -4.4142 -4.4012 -4.3892 -4.3828 -4.3680 -4.3069 -4.2137 -4.1894 -4.1699 -4.1601 -4.0715 -4.0411 -4.0196 -4.0079 -4.0011 -3.9751 -3.9605 -3.9460 -3.8967 -3.8853 -3.8634 -3.8357 -3.7816 -3.7722 -3.7491 -3.7208 -3.7055 -3.6273 -3.5979 -3.5883 -3.5815 -3.5238 -3.4750 -3.4612 -3.4362 -3.4249 -3.4195 -3.4058 -3.3643 -3.3523 -3.3126 -3.2363 -3.2356 -3.2261 -3.1868 -3.1752 -3.1480 -3.1369 -3.1308 -3.1134 -3.1052 -3.0949 -3.0833 -3.0727 -3.0353 -3.0201 -3.0049 -2.9419 -2.9365 -2.8793 -2.8694 -2.8427 -2.8226 -2.8069 -2.7949 -2.7872 -2.7790 -2.7732 -2.7647 -2.7539 -2.7408 -2.7208 -2.7050 -2.6903 -2.6799 -2.6713 -2.6641 -2.6542 -2.6368 -2.6332 -2.5967 -2.5752 -2.5573 -2.5151 -2.5038 -2.4793 -2.4429 -2.4382 -2.4283 -2.4224 -2.4186 -2.4067 -2.3697 -2.3649 -2.3568 -2.3518 -2.3228 -2.3114 -2.2947 -2.2849 -2.2709 -2.2565 -2.2424 -2.2285 -2.2099 -2.1984 -2.1941 -2.1877 -2.1757 -2.1639 -2.1551 -2.1480 -2.1254 -2.1190 -2.1095 -2.0905 -2.0829 -2.0770 -2.0429 -2.0408 -2.0258 -1.9829 -1.9766 -1.9523 -1.9368 -1.8962 -1.8911 -1.8808 -1.8728 -1.8645 -1.8574 -1.8512 -1.8451 -1.8386 -1.8265 -1.7882 -1.7719 -1.7547 -1.7409 -1.7292 -1.7189 -1.7081 -1.6782 -1.6673 -1.6593 -1.6533 -1.6408 -1.6351 -1.6289 -1.6201 -1.6009 -1.5918 -1.5744 -1.5665 -1.5507 -1.5430 -1.5355 -1.5295 -1.5117 -1.5070 -1.5033 -1.5002 -1.4831 -1.4783 -1.4739 -1.4646 -1.4438 -1.4316 -1.4129 -1.3932 -1.3892 -1.3771 -1.3704 -1.3173 -1.2678 -1.2252 -1.1126 -1.0740 -0.9644 -0.8982 -0.8705 -0.4046 -0.2870 -0.2054 -0.1220 -0.0659 -0.0270 0.1060 0.3598 0.4099 0.6454 0.8131 0.8712 0.9934 1.1886 1.5042 1.7847 2.0269 2.0573 2.0653 2.0984 2.1698 2.1833 2.2962 2.4826 2.8762 3.0078 3.3913 3.4924 3.9030 3.9568 4.0099 4.1481 4.2785 4.4237 4.4967 -22.5693 -21.7304 -14.5635 -11.9028 -9.0261 -8.2384 -7.6462 -7.3628 -7.0525 -6.9994 -6.9611 -6.5588 -5.9633 -5.8393 -5.7787 -5.4884 -5.4560 -5.2611 -5.1688 -5.1318 -5.0908 -4.6765 -4.6578 -4.6333 -4.5917 -4.5666 -4.5587 -4.4282 -4.3776 -4.3009 -4.1540 -4.1415 -4.1095 -4.0985 -4.0686 -4.0572 -4.0139 -3.9968 -3.9858 -3.9423 -3.9240 -3.9066 -3.9024 -3.8982 -3.8915 -3.7907 -3.7539 -3.7348 -3.7253 -3.7110 -3.7071 -3.6795 -3.6391 -3.5811 -3.5701 -3.5631 -3.5452 -3.4975 -3.3873 -3.3749 -3.3640 -3.3544 -3.3332 -3.3240 -3.3091 -3.2568 -3.2523 -3.2385 -3.2222 -3.1865 -3.1426 -3.1265 -3.1241 -3.1048 -3.0997 -3.0892 -3.0170 -3.0012 -2.9783 -2.9662 -2.9290 -2.9098 -2.8969 -2.8928 -2.8868 -2.8786 -2.8708 -2.8290 -2.8125 -2.8016 -2.7636 -2.7530 -2.7437 -2.7388 -2.7294 -2.7209 -2.7146 -2.7006 -2.6886 -2.6668 -2.6546 -2.6272 -2.6076 -2.5994 -2.5964 -2.5810 -2.5690 -2.5652 -2.5586 -2.5291 -2.5058 -2.4896 -2.4533 -2.4048 -2.3517 -2.3463 -2.3369 -2.3229 -2.3062 -2.2822 -2.2594 -2.2563 -2.2523 -2.2420 -2.2291 -2.2180 -2.2109 -2.2050 -2.1860 -2.1795 -2.1708 -2.1615 -2.1415 -2.1377 -2.1321 -2.1254 -2.1227 -2.1179 -2.1023 -2.0713 -2.0542 -2.0493 -2.0337 -2.0259 -2.0159 -2.0059 -1.9996 -1.9776 -1.9594 -1.9340 -1.9142 -1.9006 -1.8927 -1.8596 -1.8497 -1.8439 -1.8337 -1.8161 -1.8021 -1.7924 -1.7637 -1.7493 -1.7253 -1.7127 -1.7001 -1.6946 -1.6775 -1.6722 -1.6665 -1.6527 -1.6419 -1.6295 -1.6267 -1.6157 -1.6044 -1.5885 -1.5775 -1.5730 -1.5615 -1.5564 -1.5516 -1.5406 -1.5368 -1.5292 -1.5189 -1.5170 -1.4899 -1.4816 -1.4667 -1.4592 -1.4531 -1.4437 -1.4361 -1.4250 -1.4032 -1.3971 -1.3786 -1.3347 -1.3057 -1.2486 -1.1893 -1.0530 -1.0444 -1.0083 -0.9041 -0.8471 -0.7227 -0.6331 -0.6032 -0.5086 -0.0243 0.1813 0.4233 0.5499 0.6267 0.7125 0.8592 0.8797 1.2099 1.5857 1.6239 1.8195 1.9099 2.3814 2.4184 2.6390 2.6867 2.6990 2.8438 3.0799 3.2279 3.3942 3.6495 3.6808 3.8736 4.0380 4.2085 4.2970 4.4826 4.6324 -22.5694 -21.7303 -14.5636 -11.9043 -9.0218 -7.9894 -7.9081 -7.5676 -7.3392 -7.0279 -6.3505 -6.3099 -5.8664 -5.7313 -5.7052 -5.6915 -5.6328 -5.5596 -5.2644 -5.1391 -4.7741 -4.7145 -4.6702 -4.6458 -4.6429 -4.5681 -4.5221 -4.3684 -4.3031 -4.2863 -4.2814 -4.2664 -4.2484 -4.2164 -4.1036 -4.0116 -3.9946 -3.9746 -3.9558 -3.9495 -3.9437 -3.9357 -3.9292 -3.9137 -3.8842 -3.8597 -3.7772 -3.6420 -3.6397 -3.6265 -3.6205 -3.6163 -3.5396 -3.5276 -3.5215 -3.4991 -3.4899 -3.4804 -3.4781 -3.4657 -3.4420 -3.3963 -3.3614 -3.3219 -3.3157 -3.3064 -3.3029 -3.2885 -3.2579 -3.1325 -3.1255 -3.1077 -3.1053 -3.0945 -3.0734 -3.0621 -3.0534 -3.0466 -3.0456 -3.0423 -3.0287 -2.8799 -2.8588 -2.8523 -2.8445 -2.8391 -2.8177 -2.7864 -2.7747 -2.7612 -2.7527 -2.7423 -2.7401 -2.7359 -2.7320 -2.7302 -2.7248 -2.6974 -2.6897 -2.6736 -2.6692 -2.6645 -2.6572 -2.6356 -2.5914 -2.5762 -2.5638 -2.5604 -2.4932 -2.4651 -2.4517 -2.4212 -2.4205 -2.4066 -2.3967 -2.3878 -2.3819 -2.3712 -2.3609 -2.3486 -2.3358 -2.3235 -2.3154 -2.2741 -2.2664 -2.2583 -2.2521 -2.2441 -2.2195 -2.2016 -2.1964 -2.1889 -2.1723 -2.0901 -2.0706 -2.0642 -2.0484 -2.0253 -2.0215 -2.0101 -2.0072 -1.9941 -1.9903 -1.9767 -1.9642 -1.9576 -1.9345 -1.9249 -1.9110 -1.9056 -1.8822 -1.8533 -1.8417 -1.8274 -1.8147 -1.8062 -1.7905 -1.7831 -1.7815 -1.7653 -1.7518 -1.7513 -1.7465 -1.7348 -1.7329 -1.7260 -1.7129 -1.7052 -1.7024 -1.6872 -1.6739 -1.6655 -1.6483 -1.6452 -1.6364 -1.6271 -1.6223 -1.5947 -1.5892 -1.5786 -1.5564 -1.5499 -1.5459 -1.5402 -1.5338 -1.5211 -1.5041 -1.4771 -1.4509 -1.4412 -1.4344 -1.4317 -1.4103 -1.3988 -1.3980 -1.3941 -1.3471 -1.3399 -1.3225 -1.3095 -1.3044 -1.2788 -1.1637 -1.0688 -1.0435 -1.0100 -0.8499 -0.2959 -0.2534 -0.1782 0.0862 0.1099 0.2101 0.5370 0.5894 0.7207 0.8582 0.8983 1.3417 1.4237 1.4730 1.5028 1.7820 2.5082 2.6674 2.9097 3.0377 3.0689 3.0956 3.1040 3.1430 3.3573 3.3750 3.4690 3.9961 4.2239 4.4147 4.5433 4.5593 4.6094 -22.5693 -21.7305 -14.5636 -11.9027 -9.0162 -7.8662 -7.7629 -7.5458 -7.3295 -7.0351 -6.5882 -6.5513 -6.2116 -6.2005 -5.7563 -5.6385 -5.3266 -5.2057 -5.1079 -4.9996 -4.8646 -4.8467 -4.6754 -4.6184 -4.4152 -4.4114 -4.3958 -4.3918 -4.3808 -4.2775 -4.2165 -4.1864 -4.1731 -4.1512 -4.0681 -4.0309 -4.0190 -4.0098 -3.9916 -3.9821 -3.9570 -3.9452 -3.9055 -3.8929 -3.8762 -3.8102 -3.7998 -3.7708 -3.7561 -3.7259 -3.7134 -3.6270 -3.5986 -3.5894 -3.5736 -3.4935 -3.4721 -3.4611 -3.4426 -3.4322 -3.4260 -3.3941 -3.3604 -3.3427 -3.3248 -3.2348 -3.2297 -3.2188 -3.2052 -3.1816 -3.1401 -3.1322 -3.1261 -3.1161 -3.1082 -3.0918 -3.0839 -3.0596 -3.0465 -3.0155 -3.0068 -2.9204 -2.9092 -2.8885 -2.8701 -2.8258 -2.8201 -2.8074 -2.7925 -2.7872 -2.7835 -2.7809 -2.7737 -2.7667 -2.7348 -2.7216 -2.7172 -2.6924 -2.6832 -2.6748 -2.6658 -2.6566 -2.6421 -2.6298 -2.6048 -2.5703 -2.5473 -2.5192 -2.5033 -2.4703 -2.4631 -2.4481 -2.4278 -2.4243 -2.4153 -2.4008 -2.3834 -2.3640 -2.3536 -2.3442 -2.3367 -2.3191 -2.3016 -2.2894 -2.2648 -2.2622 -2.2425 -2.2256 -2.2131 -2.2076 -2.1943 -2.1853 -2.1741 -2.1642 -2.1587 -2.1489 -2.1193 -2.1177 -2.1043 -2.0970 -2.0913 -2.0722 -2.0553 -2.0428 -2.0261 -1.9972 -1.9667 -1.9387 -1.9272 -1.8986 -1.8886 -1.8792 -1.8741 -1.8641 -1.8568 -1.8527 -1.8414 -1.8325 -1.8283 -1.8023 -1.7744 -1.7570 -1.7350 -1.7273 -1.7162 -1.6963 -1.6783 -1.6694 -1.6610 -1.6490 -1.6448 -1.6401 -1.6219 -1.6144 -1.6035 -1.5851 -1.5689 -1.5667 -1.5453 -1.5395 -1.5306 -1.5233 -1.5189 -1.5109 -1.5082 -1.5039 -1.4853 -1.4814 -1.4724 -1.4667 -1.4492 -1.4280 -1.4114 -1.3940 -1.3898 -1.3747 -1.3736 -1.3356 -1.2367 -1.2182 -1.1130 -1.0769 -0.9594 -0.8919 -0.8845 -0.4313 -0.2911 -0.2053 -0.1121 -0.0692 -0.0256 0.1660 0.3502 0.3754 0.5817 0.8053 0.8578 0.9566 1.3893 1.4683 1.7461 1.9965 2.0519 2.0608 2.0920 2.1617 2.1925 2.2382 2.6764 2.7510 3.0295 3.4146 3.5557 3.8985 3.9847 4.0233 4.1887 4.2163 4.3019 4.5164 -22.5692 -21.7306 -14.5636 -11.9010 -9.0108 -7.7261 -7.4562 -7.3146 -7.2879 -7.2194 -7.1658 -7.0257 -6.0319 -5.8944 -5.7800 -5.7629 -5.5717 -5.4023 -5.1985 -5.1033 -4.4566 -4.4435 -4.4352 -4.4293 -4.4223 -4.4115 -4.3827 -4.3805 -4.3738 -4.3722 -4.1522 -4.1142 -4.1013 -4.0571 -4.0405 -4.0084 -4.0036 -3.9987 -3.9839 -3.9819 -3.9781 -3.9616 -3.9410 -3.9250 -3.9135 -3.9066 -3.9009 -3.8772 -3.7844 -3.7716 -3.7684 -3.7562 -3.7436 -3.6459 -3.6081 -3.4537 -3.4293 -3.4264 -3.4202 -3.4087 -3.3718 -3.3501 -3.3274 -3.3178 -3.3113 -3.2959 -3.2889 -3.2813 -3.2757 -3.2220 -3.2105 -3.2048 -3.1949 -3.0182 -3.0061 -3.0022 -2.9818 -2.9659 -2.9640 -2.9600 -2.9473 -2.9364 -2.9334 -2.9289 -2.9248 -2.9126 -2.9000 -2.8921 -2.8870 -2.8813 -2.8790 -2.8764 -2.8498 -2.7931 -2.7291 -2.7005 -2.6928 -2.6754 -2.6688 -2.6371 -2.6156 -2.5866 -2.5679 -2.5658 -2.5606 -2.5582 -2.5320 -2.5194 -2.4955 -2.4870 -2.4697 -2.4466 -2.4402 -2.4396 -2.4348 -2.4292 -2.4238 -2.4201 -2.3956 -2.3720 -2.3592 -2.3546 -2.3225 -2.2978 -2.2887 -2.2775 -2.2711 -2.2667 -2.2496 -2.2425 -2.2407 -2.2283 -2.2266 -2.2139 -2.2008 -2.1832 -2.1562 -2.1545 -2.1438 -2.1301 -2.1203 -2.1143 -2.1073 -2.0074 -1.9853 -1.9758 -1.9604 -1.9366 -1.9180 -1.9164 -1.9051 -1.8971 -1.8716 -1.8355 -1.8266 -1.8194 -1.8124 -1.7994 -1.7866 -1.7722 -1.7702 -1.7488 -1.7430 -1.7352 -1.7312 -1.7234 -1.7043 -1.6875 -1.6836 -1.6709 -1.6556 -1.6336 -1.6307 -1.6238 -1.6210 -1.6189 -1.6137 -1.6022 -1.5874 -1.5322 -1.5172 -1.4958 -1.4913 -1.4814 -1.4782 -1.4689 -1.4583 -1.4468 -1.4447 -1.4420 -1.4323 -1.4283 -1.4092 -1.4069 -1.3962 -1.3931 -1.3876 -1.3797 -1.2337 -1.1290 -1.0007 -0.7881 -0.7374 -0.7027 -0.5286 0.0590 0.1344 0.2867 0.2971 0.3100 0.3188 0.3226 0.3287 0.4413 0.4551 1.0644 1.0802 1.0921 1.1029 1.1079 1.1148 1.1351 1.2738 1.3996 1.5310 1.6658 2.3889 2.5551 2.6148 2.8663 3.3671 3.3823 3.5905 3.7878 3.8357 3.8410 3.8541 3.8912 3.9546 4.4630</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="2400">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00548 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.87953 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.31129 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.98926 0.00012 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.99997 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.59485 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00004 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.31174 0.47399 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00078 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.90718 0.06119 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <scalar dataType="xsd:double"
                             dictRef="cc:freeEnergy"
                             units="nonsi:electronvolt">-177.25420919</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="v:noEntropyEnergy"
                             units="nonsi:electronvolt">-177.24811804</scalar>
                     <scalar dataType="xsd:double" dictRef="cc:e0" units="nonsi:electronvolt">-177.25116362</scalar>
                     <scalar dataType="xsd:double"
                             dictRef="cc:deltaEnergy"
                             units="nonsi:electronvolt">0.1453941E-03</scalar>
                     <scalar dataType="xsd:double" dictRef="v:efermi" units="nonsi:electronvolt">0.0947</scalar>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.707869219</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.707869219</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.28464"
                        xFract="0.16666603"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.28464"
                        xFract="0.16666603"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.28464"
                        xFract="0.16666603"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="3.85393"
                        xFract="0.4999994"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.85393"
                        xFract="0.4999994"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="3.85393"
                        xFract="0.4999994"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.42322"
                        xFract="0.83333277"
                        y3="1.28464"
                        yFract="0.16666603"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.42322"
                        xFract="0.83333277"
                        y3="3.85393"
                        yFract="0.4999994"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.42322"
                        xFract="0.83333277"
                        y3="6.42322"
                        yFract="0.83333277"
                        z3="1.81676"
                        zFract="0.090838"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.56929"
                        xFract="0.33333337"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="2.56929"
                        xFract="0.33333337"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="2.56929"
                        xFract="0.33333337"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.13858"
                        xFract="0.66666673"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="5.13858"
                        xFract="0.66666673"
                        y3="2.56929"
                        yFract="0.33333337"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="5.13858"
                        xFract="0.66666673"
                        y3="5.13858"
                        yFract="0.66666673"
                        z3="3.63352"
                        zFract="0.181676"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.29723"
                        xFract="0.16829943"
                        y3="1.29246"
                        yFract="0.16768058"
                        z3="5.44244"
                        zFract="0.272122"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="1.28208"
                        xFract="0.16633391"
                        y3="3.83508"
                        yFract="0.49755385"
                        z3="5.44287"
                        zFract="0.2721435"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="1.27169"
                        xFract="0.16498593"
                        y3="6.41901"
                        yFract="0.83278657"
                        z3="5.41395"
                        zFract="0.2706975"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.84817"
                        xFract="0.49925211"
                        y3="1.31441"
                        yFract="0.17052832"
                        z3="5.45836"
                        zFract="0.272918"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="3.83413"
                        xFract="0.4974306"
                        y3="3.8358"
                        yFract="0.49764726"
                        z3="5.42449"
                        zFract="0.2712245"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.8644"
                        xFract="0.50135775"
                        y3="6.42488"
                        yFract="0.83354813"
                        z3="5.4255"
                        zFract="0.271275"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.39574"
                        xFract="0.82976758"
                        y3="1.30773"
                        yFract="0.16966167"
                        z3="5.44394"
                        zFract="0.272197"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.40606"
                        xFract="0.83110647"
                        y3="3.86667"
                        yFract="0.50165226"
                        z3="5.41712"
                        zFract="0.270856"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.40744"
                        xFract="0.83128551"
                        y3="6.42686"
                        yFract="0.83380501"
                        z3="5.44391"
                        zFract="0.2721955"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="7.70421"
                        xFract="0.99952526"
                        y3="0.00907"
                        yFract="0.00117672"
                        z3="7.17249"
                        zFract="0.3586245"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="7.67703"
                        xFract="0.995999"
                        y3="2.56134"
                        yFract="0.33230195"
                        z3="7.16158"
                        zFract="0.358079"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="7.7028"
                        xFract="0.99934233"
                        y3="5.15493"
                        yFract="0.66878794"
                        z3="7.16406"
                        zFract="0.358203"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.56542"
                        xFract="0.33283128"
                        y3="7.6628"
                        yFract="0.99415283"
                        z3="7.17089"
                        zFract="0.3585445"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.52239"
                        xFract="0.32724868"
                        y3="2.48698"
                        yFract="0.32265467"
                        z3="7.27942"
                        zFract="0.363971"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.54731"
                        xFract="0.33048174"
                        y3="5.16756"
                        yFract="0.67042653"
                        z3="7.14633"
                        zFract="0.3573165"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="5.13728"
                        xFract="0.66649808"
                        y3="0.03611"
                        yFract="0.00468482"
                        z3="7.18501"
                        zFract="0.3592505"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.13761"
                        xFract="0.66654089"
                        y3="2.64493"
                        yFract="0.34314671"
                        z3="7.29925"
                        zFract="0.3649625"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.08981"
                        xFract="0.66033943"
                        y3="5.15647"
                        yFract="0.66898774"
                        z3="7.22236"
                        zFract="0.361118"/>
                  <atom elementType="C"
                        id="a37"
                        x3="4.91986"
                        xFract="0.63829054"
                        y3="3.9218"
                        yFract="0.50880469"
                        z3="8.91061"
                        zFract="0.4455305"/>
                  <atom elementType="C"
                        id="a38"
                        x3="3.52383"
                        xFract="0.45717304"
                        y3="3.98968"
                        yFract="0.51761127"
                        z3="9.53314"
                        zFract="0.476657"/>
                  <atom elementType="C"
                        id="a39"
                        x3="3.2716"
                        xFract="0.42444934"
                        y3="4.9522"
                        yFract="0.64248625"
                        z3="10.66044"
                        zFract="0.533022"/>
                  <atom elementType="H"
                        id="a40"
                        x3="3.82205"
                        xFract="0.49586337"
                        y3="5.89182"
                        yFract="0.76439024"
                        z3="10.50939"
                        zFract="0.5254695"/>
                  <atom elementType="H"
                        id="a41"
                        x3="2.19039"
                        xFract="0.28417581"
                        y3="5.13228"
                        yFract="0.66584939"
                        z3="10.7403"
                        zFract="0.537015"/>
                  <atom elementType="H"
                        id="a42"
                        x3="3.63406"
                        xFract="0.47147401"
                        y3="4.50695"
                        yFract="0.58472061"
                        z3="11.60092"
                        zFract="0.580046"/>
                  <atom elementType="O"
                        id="a43"
                        x3="5.89968"
                        xFract="0.76540998"
                        y3="4.23887"
                        yFract="0.54994057"
                        z3="9.61798"
                        zFract="0.480899"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.61649"
                        xFract="0.33945698"
                        y3="3.19903"
                        yFract="0.41503429"
                        z3="9.16719"
                        zFract="0.4583595"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a14" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a2" order="S"/>
                  <bond atomRefs2="a1 a13" order="S"/>
                  <bond atomRefs2="a1 a11" order="S"/>
                  <bond atomRefs2="a1 a10" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a11" order="S"/>
                  <bond atomRefs2="a3 a6" order="S"/>
                  <bond atomRefs2="a3 a15" order="S"/>
                  <bond atomRefs2="a3 a12" order="S"/>
                  <bond atomRefs2="a4 a17" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a16" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a17" order="S"/>
                  <bond atomRefs2="a5 a15" order="S"/>
                  <bond atomRefs2="a5 a14" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a17" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a9 a18" order="S"/>
                  <bond atomRefs2="a10 a19" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a20" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a21" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a16" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a19" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a19" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a18" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a25" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a17 a23" order="S"/>
                  <bond atomRefs2="a17 a26" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a18 a23" order="S"/>
                  <bond atomRefs2="a18 a27" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a18 a26" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a19 a20" order="S"/>
                  <bond atomRefs2="a19 a32" order="S"/>
                  <bond atomRefs2="a20 a32" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a23" order="S"/>
                  <bond atomRefs2="a20 a33" order="S"/>
                  <bond atomRefs2="a21 a24" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a22 a35" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a32" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a23 a26" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a33" order="S"/>
                  <bond atomRefs2="a24 a27" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a24 a33" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a25 a35" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a34" order="S"/>
                  <bond atomRefs2="a25 a29" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a29" order="S"/>
                  <bond atomRefs2="a27 a36" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a30 a36" order="S"/>
                  <bond atomRefs2="a31 a33" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a35" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a44" order="S"/>
                  <bond atomRefs2="a39 a42" order="S"/>
                  <bond atomRefs2="a39 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
               </bondArray>
               <formula concise="C3H3Cu36O2">
                  <atomArray count="3 3 36 2" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2355.6869</scalar>
               </property>
               <formula convention="iupac:inchi"
                        inline="InChI=1S/C3H3O2.36Cu/c1-3(5)2-4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h1H3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+1">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:39,37,38,43,44;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;33;34;35;36;32/CRV:2.2,3.3,4.1,5-1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:44CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCC3CHHHO1O/rB:s1;s2;s1;s2s4;s3s5;s4;s5s7;s6s8;s1;s1s2s10;s2s3s11;s1s4s10;s1s2s4s5s11s13;s2s3s5s6s12s14;s4s7s13;s4s5s7s8s14s16;s5s6s8s9s15s17;s10s11s13s14;s11s12s14s15s19;s12s15s20;s13s14s16s17s19;s14s15s17s18s20s22;s15s18s21s23;s16s17s22;s17s18s23s25;s18s24s26;s25;s25s26s28;s26s27s29;s21s24;s19s20s22s23;s20s21s23s24s31s32;s22s25s28;s22s23s25s26s29s32s34;s23s24s26s27s30s33s35;s35s36;s37;s38;s39;s39;s39;s37;s32s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
