<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-03T17:27:50.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">8.59015027</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="1.09053332"
                        xFract="0.1269516"
                        y3="1.09053332"
                        yFract="0.1269516"
                        z3="3.20454181"
                        zFract="0.3730484"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.38560846"
                        xFract="0.6269516"
                        y3="5.38560846"
                        yFract="0.6269516"
                        z3="3.20454181"
                        zFract="0.3730484"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.53314602"
                        xFract="0.8769516"
                        y3="5.38560846"
                        yFract="0.6269516"
                        z3="1.05700425"
                        zFract="0.1230484"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="7.53314602"
                        xFract="0.8769516"
                        y3="3.23807089"
                        yFract="0.3769516"
                        z3="3.20454181"
                        zFract="0.3730484"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="5.38560846"
                        xFract="0.6269516"
                        y3="3.23807089"
                        yFract="0.3769516"
                        z3="1.05700425"
                        zFract="0.1230484"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.53314602"
                        xFract="0.8769516"
                        y3="1.09053332"
                        yFract="0.1269516"
                        z3="1.05700425"
                        zFract="0.1230484"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.38560846"
                        xFract="0.6269516"
                        y3="1.09053332"
                        yFract="0.1269516"
                        z3="3.20454181"
                        zFract="0.3730484"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.38560846"
                        xFract="0.6269516"
                        y3="7.53314602"
                        yFract="0.8769516"
                        z3="1.05700425"
                        zFract="0.1230484"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="7.53314602"
                        xFract="0.8769516"
                        y3="7.53314602"
                        yFract="0.8769516"
                        z3="3.20454181"
                        zFract="0.3730484"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="3.23807089"
                        xFract="0.3769516"
                        y3="7.53314602"
                        yFract="0.8769516"
                        z3="7.49961695"
                        zFract="0.8730484"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="1.09053332"
                        xFract="0.1269516"
                        y3="7.53314602"
                        yFract="0.8769516"
                        z3="5.35207938"
                        zFract="0.6230484"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.23807089"
                        xFract="0.3769516"
                        y3="5.38560846"
                        yFract="0.6269516"
                        z3="5.35207938"
                        zFract="0.6230484"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="1.09053332"
                        xFract="0.1269516"
                        y3="5.38560846"
                        yFract="0.6269516"
                        z3="7.49961695"
                        zFract="0.8730484"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="7.53314602"
                        xFract="0.8769516"
                        y3="3.23807089"
                        yFract="0.3769516"
                        z3="7.49961695"
                        zFract="0.8730484"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="5.38560846"
                        xFract="0.6269516"
                        y3="3.23807089"
                        yFract="0.3769516"
                        z3="5.35207938"
                        zFract="0.6230484"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.23807089"
                        xFract="0.3769516"
                        y3="7.53314602"
                        yFract="0.8769516"
                        z3="3.20454181"
                        zFract="0.3730484"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="1.09053332"
                        xFract="0.1269516"
                        y3="7.53314602"
                        yFract="0.8769516"
                        z3="1.05700425"
                        zFract="0.1230484"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="3.23807089"
                        xFract="0.3769516"
                        y3="5.38560846"
                        yFract="0.6269516"
                        z3="1.05700425"
                        zFract="0.1230484"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.09053332"
                        xFract="0.1269516"
                        y3="5.38560846"
                        yFract="0.6269516"
                        z3="3.20454181"
                        zFract="0.3730484"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.38560846"
                        xFract="0.6269516"
                        y3="5.38560846"
                        yFract="0.6269516"
                        z3="7.49961695"
                        zFract="0.8730484"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.53314602"
                        xFract="0.8769516"
                        y3="5.38560846"
                        yFract="0.6269516"
                        z3="5.35207938"
                        zFract="0.6230484"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.23807089"
                        xFract="0.3769516"
                        y3="3.23807089"
                        yFract="0.3769516"
                        z3="7.49961695"
                        zFract="0.8730484"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.09053332"
                        xFract="0.1269516"
                        y3="3.23807089"
                        yFract="0.3769516"
                        z3="5.35207938"
                        zFract="0.6230484"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.23807089"
                        xFract="0.3769516"
                        y3="1.09053332"
                        yFract="0.1269516"
                        z3="5.35207938"
                        zFract="0.6230484"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.09053332"
                        xFract="0.1269516"
                        y3="1.09053332"
                        yFract="0.1269516"
                        z3="7.49961695"
                        zFract="0.8730484"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.38560846"
                        xFract="0.6269516"
                        y3="7.53314602"
                        yFract="0.8769516"
                        z3="5.35207938"
                        zFract="0.6230484"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="7.53314602"
                        xFract="0.8769516"
                        y3="7.53314602"
                        yFract="0.8769516"
                        z3="7.49961695"
                        zFract="0.8730484"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="3.23807089"
                        xFract="0.3769516"
                        y3="3.23807089"
                        yFract="0.3769516"
                        z3="3.20454181"
                        zFract="0.3730484"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.09053332"
                        xFract="0.1269516"
                        y3="3.23807089"
                        yFract="0.3769516"
                        z3="1.05700425"
                        zFract="0.1230484"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.23807089"
                        xFract="0.3769516"
                        y3="1.09053332"
                        yFract="0.1269516"
                        z3="1.05700425"
                        zFract="0.1230484"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="5.38560846"
                        xFract="0.6269516"
                        y3="1.09053332"
                        yFract="0.1269516"
                        z3="7.49961695"
                        zFract="0.8730484"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="7.53314602"
                        xFract="0.8769516"
                        y3="1.09053332"
                        yFract="0.1269516"
                        z3="5.35207938"
                        zFract="0.6230484"/>
                  <atom elementType="O"
                        id="a33"
                        x3="6.45937724"
                        xFract="0.7519516"
                        y3="6.45937724"
                        yFract="0.7519516"
                        z3="2.13077303"
                        zFract="0.2480484"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
               </bondArray>
               <formula concise="Cu32O">
                  <atomArray count="32 1" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2049.4714000000013</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s2s3s8s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.3000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">358.0000</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">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">32 1</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">4 4 4</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="10">1 2 3 4 5 6 7 8 9 10</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2160">-15.8152 -5.3759 -3.4194 -3.4194 -3.4194 -2.8689 -2.8689 -2.2892 -2.2245 -2.2245 -2.2245 -1.3527 -1.3063 -1.3063 -1.3063 -1.1005 -1.1005 -1.1005 -1.0442 -1.0442 -0.9987 -0.9987 -0.9987 -0.9750 -0.9750 -0.9750 -0.7056 -0.7056 -0.7056 -0.7008 -0.6588 -0.6588 -0.4703 -0.4703 -0.4703 -0.2537 -0.2536 -0.2536 -0.1595 -0.1076 -0.1076 -0.0133 -0.0133 -0.0133 0.0326 0.0569 0.0569 0.0789 0.0789 0.0789 0.1377 0.1377 0.1377 0.1608 0.1688 0.1688 0.1688 0.1884 0.1884 0.1917 0.1917 0.1917 0.2145 0.2551 0.2551 0.2897 0.2897 0.2977 0.2977 0.2977 0.3404 0.3404 0.3404 0.3909 0.3909 0.3909 0.5119 0.5879 0.5879 0.5879 0.6096 0.6096 0.6466 0.6467 0.6467 0.6553 0.6553 0.6553 0.7533 0.7533 0.7533 0.8621 0.8621 0.8622 0.8622 0.8622 0.9087 1.0272 1.0272 1.0272 1.1277 1.1339 1.1339 1.1339 1.1424 1.1424 1.1771 1.1771 1.1771 1.2000 1.2000 1.2000 1.2623 1.2623 1.2623 1.3272 1.3272 1.3272 1.3421 1.3421 1.3421 1.3781 1.3781 1.3781 1.3913 1.3931 1.3931 1.3931 1.4330 1.4330 1.4489 1.4489 1.4489 1.4638 1.4638 1.4638 1.4919 1.4919 1.6634 1.6905 1.6905 1.6905 1.7198 1.7198 1.7255 1.9008 1.9008 1.9008 1.9446 1.9446 1.9446 1.9556 1.9556 1.9819 1.9819 1.9819 2.0149 2.0149 2.0149 2.0753 2.0753 2.0753 2.0855 2.0855 2.0855 2.1265 2.1265 2.1265 2.3494 2.3494 2.3495 2.8625 2.8625 2.8625 2.9145 3.1742 3.1742 3.1742 3.1869 3.1869 3.1968 3.1968 3.1968 4.2492 4.2492 4.2492 4.2800 5.1611 5.1611 5.9767 7.3503 7.3503 7.3503 7.6998 9.4723 9.4723 9.5127 9.5780 9.5780 9.5780 9.7134 9.7134 9.7134 9.7789 9.7789 10.5940 10.5940 10.5940 11.4440 11.5188 11.5188 11.5188 11.8677 11.8677 11.8677 11.9987 -15.8152 -5.2198 -3.9530 -3.3453 -3.3453 -2.8651 -2.7218 -2.3630 -2.2454 -2.2454 -1.6651 -1.5681 -1.5138 -1.5138 -1.4524 -1.2812 -1.2344 -1.2343 -1.2149 -1.0733 -1.0386 -1.0386 -0.9976 -0.8330 -0.8330 -0.6876 -0.6491 -0.6215 -0.5912 -0.5323 -0.5323 -0.4883 -0.4774 -0.4774 -0.4061 -0.2984 -0.2722 -0.2722 -0.2600 -0.1920 -0.1806 -0.1373 -0.0972 -0.0099 -0.0099 0.0255 0.0465 0.0465 0.0513 0.0777 0.1119 0.1119 0.1133 0.1195 0.1391 0.1474 0.1567 0.1567 0.1911 0.2061 0.2061 0.2162 0.2205 0.2507 0.2507 0.3025 0.3323 0.3747 0.3791 0.3996 0.4159 0.4159 0.4681 0.4681 0.5383 0.5625 0.5754 0.5818 0.5818 0.6074 0.6078 0.6329 0.6329 0.6427 0.6678 0.6846 0.6846 0.6968 0.7233 0.7266 0.7393 0.7393 0.8611 0.8705 0.8705 0.9233 0.9535 0.9535 0.9898 1.0194 1.0231 1.0231 1.0878 1.1198 1.1534 1.1534 1.1910 1.2014 1.2407 1.2407 1.2494 1.2565 1.2662 1.2857 1.2857 1.3291 1.3389 1.3477 1.3477 1.3503 1.3645 1.3716 1.3716 1.3854 1.4041 1.4167 1.4167 1.4659 1.4809 1.5154 1.5154 1.5492 1.5661 1.5704 1.5704 1.5806 1.5889 1.5889 1.5951 1.6083 1.6103 1.6103 1.6294 1.7314 1.7604 1.7604 1.7761 1.7872 1.7988 1.8349 1.8503 1.8503 1.9026 1.9026 1.9068 1.9264 1.9389 1.9635 1.9635 1.9801 2.0129 2.0129 2.0340 2.0804 2.0804 2.1126 2.1126 2.1443 2.3543 2.3543 2.3562 2.4931 2.6461 2.6461 2.7887 3.0378 3.0426 3.0426 3.1614 3.2537 3.6911 3.7324 3.7324 4.2723 4.6588 4.6857 4.6857 5.0227 5.5963 6.2419 7.6398 7.7824 7.7824 7.9020 7.9049 8.0362 8.0565 8.0565 8.3042 9.1057 9.7685 9.8691 9.8691 10.4947 10.5953 10.5953 10.9764 11.0420 11.0420 11.3025 11.3025 11.3751 11.3843 11.5314 11.5869 11.6562 -15.8151 -4.9039 -4.5046 -3.2548 -3.2548 -2.9615 -2.3687 -2.2908 -2.2908 -2.2144 -2.0375 -1.7419 -1.7225 -1.7225 -1.2673 -1.2383 -1.2089 -1.2089 -1.1959 -1.1458 -0.9893 -0.9885 -0.9885 -0.8457 -0.8457 -0.6924 -0.6364 -0.6364 -0.5371 -0.5154 -0.5005 -0.4642 -0.4444 -0.4045 -0.2782 -0.2638 -0.2638 -0.2398 -0.2398 -0.2265 -0.1435 -0.1267 -0.1142 -0.1005 -0.1005 -0.0759 0.0067 0.0269 0.0269 0.0443 0.0580 0.0580 0.0718 0.0731 0.0915 0.1301 0.1301 0.1348 0.1414 0.1905 0.1905 0.2230 0.2775 0.2890 0.2890 0.4015 0.4477 0.4520 0.4554 0.4729 0.4902 0.4902 0.5125 0.5126 0.5209 0.5642 0.5681 0.5816 0.6297 0.6297 0.6745 0.6745 0.6960 0.7193 0.7258 0.7259 0.7404 0.7574 0.8102 0.8102 0.8432 0.8549 0.8553 0.8638 0.8638 0.8778 0.8778 0.8888 0.9241 0.9241 1.0527 1.0527 1.0815 1.0865 1.1071 1.1846 1.1854 1.1974 1.2120 1.2120 1.2184 1.2547 1.2580 1.2908 1.3100 1.3100 1.3218 1.3218 1.3250 1.3259 1.3440 1.3604 1.3736 1.3759 1.3759 1.3776 1.3905 1.3905 1.3950 1.4228 1.4403 1.4403 1.4830 1.5614 1.6888 1.6974 1.6974 1.7089 1.7276 1.7328 1.7346 1.7346 1.7585 1.7585 1.7829 1.7964 1.7964 1.8019 1.8254 1.8254 1.8293 1.8362 1.8362 1.8401 1.8401 1.8620 1.8640 1.9045 1.9053 2.0228 2.0320 2.0320 2.0437 2.0449 2.0792 2.0792 2.0895 2.0895 2.1178 2.1178 2.2469 2.4072 2.5409 2.5409 2.6926 2.8067 3.0971 3.1210 3.1210 3.1270 3.3432 3.9037 3.9038 4.2877 5.7996 5.9239 5.9239 5.9479 6.2100 6.2100 6.2778 6.3166 6.5272 6.7881 7.0526 7.6377 8.9439 9.0255 9.0255 9.1249 9.2359 9.2359 9.7174 9.7865 10.3921 10.4528 10.4528 10.5041 10.5041 10.5603 10.7126 10.7561 10.7561 11.2223 11.2223 12.2406 -15.8151 -5.0622 -3.9691 -3.6224 -3.2923 -3.0630 -2.7419 -2.3980 -2.2515 -2.2015 -1.6388 -1.5927 -1.5179 -1.5060 -1.4970 -1.3839 -1.2504 -1.1598 -1.0826 -1.0458 -1.0114 -0.9205 -0.8710 -0.7484 -0.7402 -0.6607 -0.6199 -0.6177 -0.5762 -0.5710 -0.5537 -0.5279 -0.4704 -0.4631 -0.4226 -0.3302 -0.2823 -0.2773 -0.2541 -0.2289 -0.2212 -0.1933 -0.1694 -0.1660 -0.1496 -0.0617 -0.0614 -0.0068 0.0187 0.0351 0.0412 0.0656 0.1149 0.1467 0.1725 0.1747 0.2140 0.2141 0.2446 0.2617 0.2640 0.2993 0.3041 0.3352 0.3552 0.3614 0.3670 0.3780 0.4410 0.4579 0.4679 0.4724 0.5052 0.5080 0.5301 0.5354 0.5628 0.5834 0.5896 0.6068 0.6071 0.6343 0.6398 0.6753 0.6822 0.6993 0.7074 0.7262 0.7414 0.7447 0.7491 0.7592 0.7990 0.8483 0.9036 0.9156 0.9345 0.9350 0.9809 0.9870 1.0164 1.0298 1.0369 1.0882 1.0965 1.1166 1.1393 1.1397 1.1590 1.1643 1.1791 1.2196 1.2196 1.2225 1.2574 1.2685 1.2922 1.3142 1.3391 1.3671 1.3790 1.4001 1.4078 1.4335 1.4404 1.4802 1.4871 1.5040 1.5150 1.5410 1.5449 1.5578 1.5768 1.5805 1.5945 1.6024 1.6104 1.6299 1.6456 1.6477 1.6640 1.6906 1.6945 1.7122 1.7229 1.7254 1.7440 1.7586 1.7703 1.8193 1.8401 1.8711 1.9000 1.9009 1.9254 1.9386 1.9443 1.9533 1.9618 1.9717 2.0034 2.0083 2.0167 2.0291 2.0340 2.0587 2.0755 2.0897 2.1623 2.2934 2.3260 2.4360 2.4653 2.4825 2.6527 2.7231 3.1260 3.1747 3.5793 3.5843 3.9732 4.0172 4.2741 4.3590 4.5778 4.8466 4.9858 5.2536 5.8167 6.4816 6.5700 6.9551 7.4255 7.5973 7.8520 7.9842 8.2546 8.4065 8.7091 8.7795 8.9685 9.3311 9.5860 9.7747 9.7916 9.9263 9.9907 10.0870 10.6893 11.2669 11.3948 11.6323 11.6365 11.9185 12.0105 12.1751 -15.8150 -4.7304 -4.4068 -3.4553 -3.3759 -3.1926 -2.7547 -2.5228 -2.1804 -2.0854 -1.8999 -1.7911 -1.5264 -1.5159 -1.3604 -1.2313 -1.2107 -1.1602 -1.0202 -0.9924 -0.8996 -0.8574 -0.8540 -0.8175 -0.7851 -0.6897 -0.6299 -0.5794 -0.5106 -0.4821 -0.4779 -0.4678 -0.4450 -0.4153 -0.3927 -0.3753 -0.3731 -0.3548 -0.2833 -0.2711 -0.2592 -0.2420 -0.2020 -0.1570 -0.1549 -0.1157 -0.1043 -0.1010 -0.0839 -0.0515 0.0342 0.0608 0.0858 0.1076 0.1819 0.1918 0.2552 0.2593 0.3021 0.3024 0.3236 0.3356 0.3476 0.3737 0.3813 0.3975 0.4194 0.4239 0.4455 0.4617 0.4985 0.5014 0.5112 0.5341 0.5627 0.5765 0.5899 0.5969 0.6136 0.6384 0.6558 0.6627 0.6811 0.6882 0.7259 0.7329 0.7610 0.7671 0.7847 0.7910 0.8078 0.8118 0.8393 0.8553 0.8570 0.8804 0.8814 0.8942 0.8965 0.9305 0.9479 0.9672 1.0113 1.0295 1.0506 1.0575 1.0781 1.0894 1.1149 1.1183 1.1468 1.1604 1.2043 1.2118 1.2142 1.2156 1.2549 1.2749 1.2991 1.3030 1.3258 1.3795 1.3991 1.4285 1.4543 1.4783 1.4951 1.5148 1.5262 1.5369 1.5664 1.5809 1.5859 1.6052 1.6263 1.6293 1.6520 1.6938 1.7068 1.7075 1.7495 1.7506 1.7616 1.7667 1.7903 1.8020 1.8164 1.8219 1.8260 1.8321 1.8339 1.8398 1.8417 1.8461 1.8625 1.8841 1.8880 1.8898 1.9112 1.9214 1.9495 1.9699 2.0053 2.0125 2.0147 2.0463 2.0630 2.0734 2.1712 2.2143 2.3204 2.4239 2.4401 2.5006 2.7415 2.7869 2.9605 3.0838 3.3468 3.4880 4.2859 4.3153 4.5625 4.9077 4.9178 5.0943 5.3991 5.8215 6.0248 6.2101 6.3307 6.4567 6.8774 7.1869 7.5339 7.7029 8.0758 8.1452 8.4529 8.5552 8.8793 8.8921 9.0350 9.0882 9.1139 10.3410 10.4661 10.4721 10.7105 10.7375 11.0143 11.1734 11.5383 11.5953 12.0399 12.1397 -15.8149 -4.2705 -4.2705 -4.1706 -3.5439 -3.1675 -2.7484 -2.7484 -1.9275 -1.9211 -1.8671 -1.8671 -1.7546 -1.7546 -1.2860 -1.2504 -0.9453 -0.9062 -0.9062 -0.8571 -0.8557 -0.7372 -0.6891 -0.6891 -0.6476 -0.6329 -0.6329 -0.6079 -0.6077 -0.5721 -0.5721 -0.5657 -0.4752 -0.4752 -0.4301 -0.3903 -0.3608 -0.3608 -0.3584 -0.3554 -0.3220 -0.3220 -0.2881 -0.2561 -0.2293 -0.2279 -0.2279 -0.1296 0.0199 0.0207 0.0207 0.0344 0.1494 0.1639 0.2274 0.2274 0.2551 0.2551 0.2633 0.3256 0.3261 0.3437 0.3437 0.4091 0.4495 0.4571 0.4571 0.4864 0.5025 0.5475 0.5475 0.5498 0.5609 0.5622 0.5744 0.5744 0.6052 0.6568 0.6568 0.6642 0.6692 0.6692 0.7095 0.7180 0.7398 0.7598 0.7598 0.7808 0.7808 0.7939 0.7960 0.8142 0.8285 0.8474 0.8474 0.8605 0.8784 0.8841 0.8841 0.8953 0.9157 0.9157 0.9236 0.9337 0.9406 0.9533 0.9546 0.9546 1.0136 1.0382 1.0382 1.0761 1.0762 1.0831 1.0836 1.1522 1.2209 1.2366 1.2366 1.2609 1.3535 1.3535 1.4204 1.5127 1.5127 1.5141 1.5584 1.5960 1.5976 1.5976 1.6343 1.6343 1.6455 1.6492 1.6567 1.6788 1.7198 1.7198 1.7382 1.7512 1.8168 1.8168 1.8197 1.8202 1.8370 1.8456 1.8456 1.8459 1.8478 1.8647 1.8647 1.8693 1.8712 1.8829 1.8833 1.8868 1.8868 1.8973 1.8973 1.9234 1.9234 1.9252 1.9302 1.9355 1.9889 1.9889 1.9987 2.0308 2.0308 2.0424 2.0462 2.1241 2.6195 2.6598 2.6598 3.0019 3.7129 3.7129 3.7237 3.7351 3.7516 4.3007 4.3007 4.6739 5.4483 5.5999 5.5999 5.6037 5.9711 6.0633 6.0633 6.2795 7.5746 7.5746 7.5842 7.6961 7.7269 7.7269 7.7447 7.7658 8.0677 8.1792 8.1792 9.0667 9.2191 9.5224 9.5224 10.7413 11.1249 11.1249 11.1463 11.9010 12.0565 12.0565 12.1720 12.4107 -15.8150 -4.9045 -3.8282 -3.8282 -3.2988 -3.0704 -2.8663 -2.8663 -2.1981 -2.1981 -2.0401 -1.4913 -1.4913 -1.4574 -1.3065 -1.0904 -1.0749 -1.0749 -0.9576 -0.9576 -0.9254 -0.9254 -0.9040 -0.8770 -0.7035 -0.7035 -0.5801 -0.5405 -0.5344 -0.5344 -0.5204 -0.5045 -0.5045 -0.4771 -0.4771 -0.3461 -0.3157 -0.3157 -0.3022 -0.2644 -0.2644 -0.1912 -0.1912 -0.1858 -0.1537 -0.1537 -0.1525 -0.0712 -0.0108 -0.0108 0.0782 0.0782 0.0786 0.1468 0.1468 0.1742 0.2250 0.2250 0.2504 0.3036 0.3092 0.3092 0.3185 0.3944 0.3944 0.3960 0.4238 0.4238 0.4512 0.4512 0.4773 0.5059 0.5059 0.5118 0.5196 0.5502 0.5502 0.5824 0.6036 0.6036 0.6149 0.6568 0.6568 0.7000 0.7000 0.7291 0.7331 0.7331 0.7563 0.7563 0.7736 0.7790 0.7790 0.8568 0.8720 0.8871 0.8871 0.9054 0.9460 0.9767 0.9767 0.9883 1.0287 1.0287 1.0360 1.0693 1.0693 1.1594 1.1606 1.1606 1.1811 1.1811 1.1921 1.2515 1.2594 1.2594 1.2784 1.2784 1.3372 1.3566 1.3758 1.3788 1.3788 1.4007 1.4007 1.4259 1.4321 1.4321 1.4664 1.4664 1.4863 1.5182 1.5182 1.5880 1.5928 1.5928 1.6512 1.6589 1.6589 1.7083 1.7083 1.7454 1.7585 1.7585 1.7606 1.7809 1.7882 1.7882 1.8251 1.8251 1.8754 1.8754 1.8821 1.8907 1.9347 1.9377 1.9377 1.9651 1.9651 1.9731 1.9947 1.9947 2.0042 2.0255 2.0255 2.0410 2.0410 2.0616 2.0827 2.1524 2.1524 2.5314 2.5314 2.5356 3.0098 3.3200 3.3379 3.3379 3.5943 3.5943 3.6241 4.1689 4.1689 4.2459 5.0311 5.0311 5.2823 5.7104 5.7104 6.4993 6.7241 6.7241 6.7637 7.0305 7.0305 7.5075 8.0010 8.0010 8.4731 8.6311 8.6311 9.4349 9.6406 9.8268 9.8268 10.0272 10.0272 10.3153 10.7224 11.2401 11.3793 11.3793 11.4973 11.4973 12.1647 12.1835 -15.8149 -4.5607 -4.2929 -3.5580 -3.3764 -3.1950 -3.0256 -2.6992 -2.5506 -2.3562 -2.0718 -1.5712 -1.3307 -1.2701 -1.1637 -1.1154 -1.0443 -1.0291 -1.0206 -0.9364 -0.8445 -0.8028 -0.7773 -0.7707 -0.7643 -0.6500 -0.6220 -0.5733 -0.5716 -0.5100 -0.4861 -0.4552 -0.4474 -0.4381 -0.4207 -0.4172 -0.3927 -0.3548 -0.3089 -0.3069 -0.3003 -0.2851 -0.2255 -0.1901 -0.1484 -0.1334 -0.1161 -0.1061 -0.0832 -0.0548 -0.0061 -0.0018 0.0326 0.1059 0.1968 0.2030 0.2579 0.2747 0.2799 0.3004 0.3119 0.3409 0.3612 0.3730 0.3851 0.4088 0.4605 0.4618 0.4625 0.4752 0.4875 0.4939 0.5158 0.5266 0.5559 0.5647 0.5956 0.6006 0.6125 0.6276 0.6472 0.6731 0.7083 0.7223 0.7341 0.7360 0.7501 0.7646 0.7789 0.7901 0.7981 0.8273 0.8300 0.8419 0.8444 0.8615 0.8819 0.8863 0.8978 0.9196 0.9423 0.9625 0.9664 0.9762 0.9833 0.9865 1.0469 1.0623 1.0896 1.1084 1.1403 1.1457 1.1746 1.2019 1.2304 1.2589 1.2871 1.3049 1.3222 1.3379 1.3421 1.3437 1.3590 1.3616 1.3681 1.3733 1.3858 1.3921 1.4231 1.4766 1.5286 1.5814 1.5875 1.5938 1.6094 1.6166 1.6239 1.6361 1.6440 1.6736 1.7144 1.7270 1.7394 1.7470 1.7991 1.8368 1.8419 1.8474 1.8546 1.8580 1.8671 1.8711 1.8854 1.9020 1.9088 1.9226 1.9244 1.9325 1.9443 1.9468 1.9608 1.9675 1.9768 1.9836 1.9897 2.0104 2.0327 2.0519 2.1442 2.3846 2.4113 2.6461 2.6660 2.7836 2.9041 3.0150 3.3417 3.4767 3.4881 3.5591 4.0086 4.2387 4.8202 5.0163 5.0312 5.1527 5.2407 5.4893 5.6380 5.9179 6.1370 6.3008 6.9002 7.0136 7.1160 7.4133 7.7271 7.9160 8.1047 8.1362 8.5640 9.0387 9.2711 9.4665 9.6841 9.9436 10.2222 10.4426 10.7474 11.0179 11.4597 11.7058 11.7519 11.8774 12.0289 12.2967 -15.8148 -4.1187 -4.1187 -4.0105 -3.6798 -3.0282 -3.0282 -2.8953 -2.7680 -2.2983 -2.2983 -1.7966 -1.1753 -1.1362 -1.1362 -0.8991 -0.8936 -0.8544 -0.8544 -0.8089 -0.7918 -0.7278 -0.7001 -0.7001 -0.6736 -0.6457 -0.6457 -0.6246 -0.5932 -0.5887 -0.5887 -0.5809 -0.4783 -0.4783 -0.4522 -0.3777 -0.3407 -0.3407 -0.3300 -0.3291 -0.2797 -0.2672 -0.2672 -0.2297 -0.2045 -0.1894 -0.1894 -0.1371 -0.0508 -0.0289 -0.0289 0.0245 0.0703 0.0856 0.0856 0.1074 0.1816 0.2415 0.2415 0.2468 0.3149 0.3363 0.3363 0.4282 0.4592 0.4715 0.4715 0.4860 0.5072 0.5072 0.5080 0.5498 0.5586 0.5838 0.5892 0.5892 0.5982 0.6512 0.6512 0.6583 0.6971 0.6971 0.7126 0.7480 0.7659 0.7706 0.7722 0.7772 0.7772 0.7849 0.7849 0.8001 0.8140 0.8286 0.8297 0.8297 0.8332 0.8525 0.8525 0.8656 0.8808 0.8864 0.8864 0.8947 0.9481 0.9481 0.9946 1.0234 1.0606 1.0606 1.0686 1.1375 1.1448 1.1448 1.1470 1.2099 1.2275 1.2275 1.2652 1.3251 1.3251 1.3446 1.3606 1.4279 1.4536 1.4748 1.4748 1.4759 1.4899 1.4899 1.4922 1.5109 1.5416 1.5416 1.5606 1.5606 1.5612 1.5747 1.6099 1.6276 1.6527 1.6737 1.6737 1.7153 1.7740 1.7848 1.7848 1.9144 1.9229 1.9229 1.9230 1.9408 1.9424 1.9441 1.9441 1.9471 1.9582 1.9582 1.9603 1.9642 1.9786 1.9796 1.9810 1.9810 1.9948 2.0059 2.0059 2.0520 2.1716 2.4575 2.4575 2.5919 2.9705 3.0415 3.0415 3.3922 3.8911 3.8946 3.8946 3.9231 3.9377 4.3634 4.3634 4.8498 5.0295 5.1048 5.1048 5.1296 5.3011 5.7589 5.7589 5.9684 6.3200 6.4852 6.4852 7.6898 8.3655 8.3655 8.3713 8.4964 8.6068 8.7534 8.7535 9.3212 9.5524 9.7360 9.7360 10.5078 11.0648 11.1778 11.1778 11.5823 12.0377 12.0813 12.1071 12.1071 -15.8147 -3.7915 -3.7915 -3.7915 -3.5158 -3.5158 -3.5158 -3.5093 -2.3731 -2.3731 -2.3730 -2.3569 -0.8114 -0.8114 -0.7910 -0.7910 -0.7910 -0.7538 -0.7538 -0.7538 -0.7252 -0.7252 -0.7252 -0.7153 -0.7153 -0.7153 -0.6817 -0.6390 -0.6390 -0.6216 -0.6216 -0.6216 -0.4855 -0.4855 -0.4855 -0.3722 -0.2891 -0.2891 -0.2891 -0.2524 -0.2524 -0.1975 -0.1975 -0.1975 -0.1150 -0.1150 -0.1150 -0.1029 -0.1029 -0.1029 -0.1011 -0.0894 -0.0894 -0.0894 -0.0639 -0.0639 0.1178 0.1713 0.1713 0.1713 0.3334 0.3334 0.3334 0.4596 0.5012 0.5012 0.5012 0.5144 0.5144 0.5185 0.5185 0.5185 0.6098 0.6098 0.6098 0.6142 0.6584 0.6584 0.6768 0.6768 0.6768 0.6910 0.6910 0.6910 0.7590 0.7706 0.7706 0.7706 0.7780 0.7780 0.7780 0.7911 0.7911 0.7989 0.7989 0.7989 0.8072 0.8072 0.8072 0.8389 0.8389 0.8778 0.8778 0.8778 0.9918 0.9918 0.9918 1.0028 1.0028 1.0028 1.2247 1.2247 1.2247 1.2338 1.2558 1.2558 1.2558 1.2843 1.2952 1.2952 1.3171 1.3171 1.3171 1.3336 1.3336 1.3336 1.3504 1.3504 1.4226 1.4226 1.4226 1.4689 1.4689 1.4689 1.5045 1.5045 1.5199 1.5199 1.5199 1.5454 1.5454 1.5808 1.5808 1.5808 1.8275 1.8275 1.8275 1.9665 1.9705 1.9705 1.9705 1.9828 1.9828 1.9910 1.9910 1.9910 1.9913 1.9913 1.9913 2.0183 2.0183 2.0183 2.0247 2.0247 2.0378 2.0378 2.0378 2.0410 2.2088 2.5213 2.5213 2.5213 4.3035 4.3035 4.3035 4.3611 4.3611 4.3611 4.3807 4.3807 4.3807 4.3828 4.3828 4.4394 4.4394 4.4583 4.4929 4.4929 4.4929 4.4963 4.4963 4.4963 5.8077 5.8078 5.8078 7.2659 9.7971 9.7971 9.7971 9.8657 9.8657 9.8657 10.0443 10.0443 10.0754 10.0754 10.0754 10.1518 10.1518 10.1518 10.1766 10.2214 10.2214 10.2214 10.2931 10.2931</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="2160">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.05299 0.86648 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99999 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.52119 0.52116 0.04091 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99999 1.69171 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="99"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="17"
                          units="nonsi2:ev.angstrom-1">-0.035643 -0.035643 0.011609 -0.905024 -0.905024 0.905024 0.905024 -0.905024 -0.905024 0.055120 -0.176519 0.055120 -0.055120 -0.176519 -0.055120 0.055120 0.176519 -0.055120 -0.055120 0.176519 0.055120 -0.905024 0.905024 -0.905024 0.905024 0.905024 0.905024 0.035643 0.011609 0.035643 -0.035643 0.011609 -0.035643 0.035643 -0.011609 -0.035643 -0.035643 -0.011609 0.035643 0.011609 0.035643 0.035643 -0.011609 0.035643 -0.035643 -0.176519 0.055120 0.055120 0.176519 0.055120 -0.055120 -0.176519 -0.055120 -0.055120 0.176519 -0.055120 0.055120 -0.055120 -0.055120 -0.176519 0.055120 -0.055120 0.176519 -0.009037 -0.009037 -0.009037 0.009037 -0.009037 0.009037 -0.009037 0.009037 0.009037 0.009037 0.009037 -0.009037 -0.055120 0.055120 0.176519 0.055120 0.055120 -0.176519 0.035643 0.035643 0.011609 -0.035643 0.035643 -0.011609 0.035643 -0.035643 -0.011609 -0.011609 -0.035643 0.035643 0.011609 -0.035643 -0.035643 -0.000000 -0.000000 -0.000000 -0.032870 -0.032870 0.013063 -1.633869 -1.633869 1.633869 1.633869 -1.633869 -1.633869 0.073678 -0.221004 0.073678 -0.073678 -0.221004 -0.073678 0.073678 0.221004 -0.073678 -0.073678 0.221004 0.073678 -1.633869 1.633869 -1.633869 1.633869 1.633869 1.633869 0.032870 0.013063 0.032870 -0.032870 0.013063 -0.032870 0.032870 -0.013063 -0.032870 -0.032870 -0.013063 0.032870 0.013063 0.032870 0.032870 -0.013063 0.032870 -0.032870 -0.221004 0.073678 0.073678 0.221004 0.073678 -0.073678 -0.221004 -0.073678 -0.073678 0.221004 -0.073678 0.073678 -0.073678 -0.073678 -0.221004 0.073678 -0.073678 0.221004 -0.004510 -0.004510 -0.004510 0.004510 -0.004510 0.004510 -0.004510 0.004510 0.004510 0.004510 0.004510 -0.004510 -0.073678 0.073678 0.221004 0.073678 0.073678 -0.221004 0.032870 0.032870 0.013063 -0.032870 0.032870 -0.013063 0.032870 -0.032870 -0.013063 -0.013063 -0.032870 0.032870 0.013063 -0.032870 -0.032870 0.000000 -0.000000 0.000000 1.909689 1.909689 2.749705 -5.387112 -5.387112 5.387112 5.387112 -5.387112 -5.387112 1.971590 4.576733 1.971590 -1.971590 4.576733 -1.971590 1.971590 -4.576733 -1.971590 -1.971590 -4.576733 1.971590 -5.387112 5.387112 -5.387112 5.387112 5.387112 5.387112 -1.909689 2.749705 -1.909689 1.909689 2.749705 1.909689 -1.909689 -2.749705 1.909689 1.909689 -2.749705 -1.909689 2.749705 -1.909689 -1.909689 -2.749705 -1.909689 1.909689 4.576733 1.971590 1.971590 -4.576733 1.971590 -1.971590 4.576733 -1.971590 -1.971590 -4.576733 -1.971590 1.971590 -1.971590 -1.971590 4.576733 1.971590 -1.971590 -4.576733 -2.431042 -2.431042 -2.431042 2.431042 -2.431042 2.431042 -2.431042 2.431042 2.431042 2.431042 2.431042 -2.431042 -1.971590 1.971590 -4.576733 1.971590 1.971590 4.576733 -1.909689 -1.909689 2.749705 1.909689 -1.909689 -2.749705 -1.909689 1.909689 -2.749705 -2.749705 1.909689 -1.909689 2.749705 1.909689 1.909689 -0.000000 0.000000 0.000000 -0.030277 -0.030277 0.011749 -2.248250 -2.248250 2.248250 2.248250 -2.248250 -2.248250 0.079753 -0.235527 0.079753 -0.079753 -0.235527 -0.079753 0.079753 0.235527 -0.079753 -0.079753 0.235527 0.079753 -2.248250 2.248250 -2.248250 2.248250 2.248250 2.248250 0.030277 0.011749 0.030277 -0.030277 0.011749 -0.030277 0.030277 -0.011749 -0.030277 -0.030277 -0.011749 0.030277 0.011749 0.030277 0.030277 -0.011749 0.030277 -0.030277 -0.235527 0.079753 0.079753 0.235527 0.079753 -0.079753 -0.235527 -0.079753 -0.079753 0.235527 -0.079753 0.079753 -0.079753 -0.079753 -0.235527 0.079753 -0.079753 0.235527 -0.004611 -0.004611 -0.004611 0.004611 -0.004611 0.004611 -0.004611 0.004611 0.004611 0.004611 0.004611 -0.004611 -0.079753 0.079753 0.235527 0.079753 0.079753 -0.235527 0.030277 0.030277 0.011749 -0.030277 0.030277 -0.011749 0.030277 -0.030277 -0.011749 -0.011749 -0.030277 0.030277 0.011749 -0.030277 -0.030277 0.000000 0.000000 0.000000 0.099194 0.099194 -0.001736 -3.847589 -3.847589 3.847589 3.847589 -3.847589 -3.847589 0.107272 -0.266067 0.107272 -0.107272 -0.266067 -0.107272 0.107272 0.266067 -0.107272 -0.107272 0.266067 0.107272 -3.847589 3.847589 -3.847589 3.847589 3.847589 3.847589 -0.099194 -0.001736 -0.099194 0.099194 -0.001736 0.099194 -0.099194 0.001736 0.099194 0.099194 0.001736 -0.099194 -0.001736 -0.099194 -0.099194 0.001736 -0.099194 0.099194 -0.266067 0.107272 0.107272 0.266067 0.107272 -0.107272 -0.266067 -0.107272 -0.107272 0.266067 -0.107272 0.107272 -0.107272 -0.107272 -0.266067 0.107272 -0.107272 0.266067 -0.004287 -0.004287 -0.004287 0.004287 -0.004287 0.004287 -0.004287 0.004287 0.004287 0.004287 0.004287 -0.004287 -0.107272 0.107272 0.266067 0.107272 0.107272 -0.266067 -0.099194 -0.099194 -0.001736 0.099194 -0.099194 0.001736 -0.099194 0.099194 0.001736 0.001736 0.099194 -0.099194 -0.001736 0.099194 0.099194 -0.000000 0.000000 0.000000 0.040846 0.040846 0.004228 -3.440494 -3.440494 3.440494 3.440494 -3.440494 -3.440494 0.100572 -0.269719 0.100572 -0.100572 -0.269719 -0.100572 0.100572 0.269719 -0.100572 -0.100572 0.269719 0.100572 -3.440494 3.440494 -3.440494 3.440494 3.440494 3.440494 -0.040846 0.004228 -0.040846 0.040846 0.004228 0.040846 -0.040846 -0.004228 0.040846 0.040846 -0.004228 -0.040846 0.004228 -0.040846 -0.040846 -0.004228 -0.040846 0.040846 -0.269719 0.100572 0.100572 0.269719 0.100572 -0.100572 -0.269719 -0.100572 -0.100572 0.269719 -0.100572 0.100572 -0.100572 -0.100572 -0.269719 0.100572 -0.100572 0.269719 -0.004174 -0.004174 -0.004174 0.004174 -0.004174 0.004174 -0.004174 0.004174 0.004174 0.004174 0.004174 -0.004174 -0.100572 0.100572 0.269719 0.100572 0.100572 -0.269719 -0.040846 -0.040846 0.004228 0.040846 -0.040846 -0.004228 -0.040846 0.040846 -0.004228 -0.004228 0.040846 -0.040846 0.004228 0.040846 0.040846 0.000000 0.000000 0.000000 0.056510 0.056510 0.003047 -3.571056 -3.571056 3.571056 3.571056 -3.571056 -3.571056 0.102806 -0.271312 0.102806 -0.102806 -0.271312 -0.102806 0.102806 0.271312 -0.102806 -0.102806 0.271312 0.102806 -3.571056 3.571056 -3.571056 3.571056 3.571056 3.571056 -0.056510 0.003047 -0.056510 0.056510 0.003047 0.056510 -0.056510 -0.003047 0.056510 0.056510 -0.003047 -0.056510 0.003047 -0.056510 -0.056510 -0.003047 -0.056510 0.056510 -0.271312 0.102806 0.102806 0.271312 0.102806 -0.102806 -0.271312 -0.102806 -0.102806 0.271312 -0.102806 0.102806 -0.102806 -0.102806 -0.271312 0.102806 -0.102806 0.271312 -0.004875 -0.004875 -0.004875 0.004875 -0.004875 0.004875 -0.004875 0.004875 0.004875 0.004875 0.004875 -0.004875 -0.102806 0.102806 0.271312 0.102806 0.102806 -0.271312 -0.056510 -0.056510 0.003047 0.056510 -0.056510 -0.003047 -0.056510 0.056510 -0.003047 -0.003047 0.056510 -0.056510 0.003047 0.056510 0.056510 -0.000000 0.000000 -0.000000 0.635834 0.635834 -0.082299 0.609921 0.609921 -0.609921 -0.609921 0.609921 0.609921 0.038703 -0.037170 0.038703 -0.038703 -0.037170 -0.038703 0.038703 0.037170 -0.038703 -0.038703 0.037170 0.038703 0.609921 -0.609921 0.609921 -0.609921 -0.609921 -0.609921 -0.635834 -0.082299 -0.635834 0.635834 -0.082299 0.635834 -0.635834 0.082299 0.635834 0.635834 0.082299 -0.635834 -0.082299 -0.635834 -0.635834 0.082299 -0.635834 0.635834 -0.037170 0.038703 0.038703 0.037170 0.038703 -0.038703 -0.037170 -0.038703 -0.038703 0.037170 -0.038703 0.038703 -0.038703 -0.038703 -0.037170 0.038703 -0.038703 0.037170 -0.000636 -0.000636 -0.000636 0.000636 -0.000636 0.000636 -0.000636 0.000636 0.000636 0.000636 0.000636 -0.000636 -0.038703 0.038703 0.037170 0.038703 0.038703 -0.037170 -0.635834 -0.635834 -0.082299 0.635834 -0.635834 0.082299 -0.635834 0.635834 0.082299 0.082299 0.635834 -0.635834 -0.082299 0.635834 0.635834 -0.000000 -0.000000 -0.000000 0.376786 0.376786 -0.036363 -0.524715 -0.524715 0.524715 0.524715 -0.524715 -0.524715 0.062704 -0.126774 0.062704 -0.062704 -0.126774 -0.062704 0.062704 0.126774 -0.062704 -0.062704 0.126774 0.062704 -0.524715 0.524715 -0.524715 0.524715 0.524715 0.524715 -0.376786 -0.036363 -0.376786 0.376786 -0.036363 0.376786 -0.376786 0.036363 0.376786 0.376786 0.036363 -0.376786 -0.036363 -0.376786 -0.376786 0.036363 -0.376786 0.376786 -0.126774 0.062704 0.062704 0.126774 0.062704 -0.062704 -0.126774 -0.062704 -0.062704 0.126774 -0.062704 0.062704 -0.062704 -0.062704 -0.126774 0.062704 -0.062704 0.126774 -0.002119 -0.002119 -0.002119 0.002119 -0.002119 0.002119 -0.002119 0.002119 0.002119 0.002119 0.002119 -0.002119 -0.062704 0.062704 0.126774 0.062704 0.062704 -0.126774 -0.376786 -0.376786 -0.036363 0.376786 -0.376786 0.036363 -0.376786 0.376786 0.036363 0.036363 0.376786 -0.376786 -0.036363 0.376786 0.376786 -0.000000 0.000000 0.000000 0.207841 0.207841 0.011032 -0.227268 -0.227268 0.227268 0.227268 -0.227268 -0.227268 0.046047 -0.109730 0.046047 -0.046047 -0.109730 -0.046047 0.046047 0.109730 -0.046047 -0.046047 0.109730 0.046047 -0.227268 0.227268 -0.227268 0.227268 0.227268 0.227268 -0.207841 0.011032 -0.207841 0.207841 0.011032 0.207841 -0.207841 -0.011032 0.207841 0.207841 -0.011032 -0.207841 0.011032 -0.207841 -0.207841 -0.011032 -0.207841 0.207841 -0.109730 0.046047 0.046047 0.109730 0.046047 -0.046047 -0.109730 -0.046047 -0.046047 0.109730 -0.046047 0.046047 -0.046047 -0.046047 -0.109730 0.046047 -0.046047 0.109730 -0.001673 -0.001673 -0.001673 0.001673 -0.001673 0.001673 -0.001673 0.001673 0.001673 0.001673 0.001673 -0.001673 -0.046047 0.046047 0.109730 0.046047 0.046047 -0.109730 -0.207841 -0.207841 0.011032 0.207841 -0.207841 -0.011032 -0.207841 0.207841 -0.011032 -0.011032 0.207841 -0.207841 0.011032 0.207841 0.207841 0.000000 -0.000000 0.000000 0.209581 0.209581 0.010929 -0.229973 -0.229973 0.229973 0.229973 -0.229973 -0.229973 0.046121 -0.109977 0.046121 -0.046121 -0.109977 -0.046121 0.046121 0.109977 -0.046121 -0.046121 0.109977 0.046121 -0.229973 0.229973 -0.229973 0.229973 0.229973 0.229973 -0.209581 0.010929 -0.209581 0.209581 0.010929 0.209581 -0.209581 -0.010929 0.209581 0.209581 -0.010929 -0.209581 0.010929 -0.209581 -0.209581 -0.010929 -0.209581 0.209581 -0.109977 0.046121 0.046121 0.109977 0.046121 -0.046121 -0.109977 -0.046121 -0.046121 0.109977 -0.046121 0.046121 -0.046121 -0.046121 -0.109977 0.046121 -0.046121 0.109977 -0.001677 -0.001677 -0.001677 0.001677 -0.001677 0.001677 -0.001677 0.001677 0.001677 0.001677 0.001677 -0.001677 -0.046121 0.046121 0.109977 0.046121 0.046121 -0.109977 -0.209581 -0.209581 0.010929 0.209581 -0.209581 -0.010929 -0.209581 0.209581 -0.010929 -0.010929 0.209581 -0.209581 0.010929 0.209581 0.209581 -0.000000 -0.000000 0.000000 0.149816 0.149816 0.028988 -0.103791 -0.103791 0.103791 0.103791 -0.103791 -0.103791 0.032595 -0.074960 0.032595 -0.032595 -0.074960 -0.032595 0.032595 0.074960 -0.032595 -0.032595 0.074960 0.032595 -0.103791 0.103791 -0.103791 0.103791 0.103791 0.103791 -0.149816 0.028988 -0.149816 0.149816 0.028988 0.149816 -0.149816 -0.028988 0.149816 0.149816 -0.028988 -0.149816 0.028988 -0.149816 -0.149816 -0.028988 -0.149816 0.149816 -0.074960 0.032595 0.032595 0.074960 0.032595 -0.032595 -0.074960 -0.032595 -0.032595 0.074960 -0.032595 0.032595 -0.032595 -0.032595 -0.074960 0.032595 -0.032595 0.074960 -0.003433 -0.003433 -0.003433 0.003433 -0.003433 0.003433 -0.003433 0.003433 0.003433 0.003433 0.003433 -0.003433 -0.032595 0.032595 0.074960 0.032595 0.032595 -0.074960 -0.149816 -0.149816 0.028988 0.149816 -0.149816 -0.028988 -0.149816 0.149816 -0.028988 -0.028988 0.149816 -0.149816 0.028988 0.149816 0.149816 0.000000 0.000000 0.000000 0.038332 0.038332 0.062881 0.085461 0.085461 -0.085461 -0.085461 0.085461 0.085461 0.009893 -0.015669 0.009893 -0.009893 -0.015669 -0.009893 0.009893 0.015669 -0.009893 -0.009893 0.015669 0.009893 0.085461 -0.085461 0.085461 -0.085461 -0.085461 -0.085461 -0.038332 0.062881 -0.038332 0.038332 0.062881 0.038332 -0.038332 -0.062881 0.038332 0.038332 -0.062881 -0.038332 0.062881 -0.038332 -0.038332 -0.062881 -0.038332 0.038332 -0.015669 0.009893 0.009893 0.015669 0.009893 -0.009893 -0.015669 -0.009893 -0.009893 0.015669 -0.009893 0.009893 -0.009893 -0.009893 -0.015669 0.009893 -0.009893 0.015669 -0.006486 -0.006486 -0.006486 0.006486 -0.006486 0.006486 -0.006486 0.006486 0.006486 0.006486 0.006486 -0.006486 -0.009893 0.009893 0.015669 0.009893 0.009893 -0.015669 -0.038332 -0.038332 0.062881 0.038332 -0.038332 -0.062881 -0.038332 0.038332 -0.062881 -0.062881 0.038332 -0.038332 0.062881 0.038332 0.038332 0.000000 0.000000 -0.000000 0.045750 0.045750 0.061305 0.075680 0.075680 -0.075680 -0.075680 0.075680 0.075680 0.011024 -0.018567 0.011024 -0.011024 -0.018567 -0.011024 0.011024 0.018567 -0.011024 -0.011024 0.018567 0.011024 0.075680 -0.075680 0.075680 -0.075680 -0.075680 -0.075680 -0.045750 0.061305 -0.045750 0.045750 0.061305 0.045750 -0.045750 -0.061305 0.045750 0.045750 -0.061305 -0.045750 0.061305 -0.045750 -0.045750 -0.061305 -0.045750 0.045750 -0.018567 0.011024 0.011024 0.018567 0.011024 -0.011024 -0.018567 -0.011024 -0.011024 0.018567 -0.011024 0.011024 -0.011024 -0.011024 -0.018567 0.011024 -0.011024 0.018567 -0.006286 -0.006286 -0.006286 0.006286 -0.006286 0.006286 -0.006286 0.006286 0.006286 0.006286 0.006286 -0.006286 -0.011024 0.011024 0.018567 0.011024 0.011024 -0.018567 -0.045750 -0.045750 0.061305 0.045750 -0.045750 -0.061305 -0.045750 0.045750 -0.061305 -0.061305 0.045750 -0.045750 0.061305 0.045750 0.045750 -0.000000 0.000000 0.000000 -0.000251 -0.000251 0.047991 0.014794 0.014794 -0.014794 -0.014794 0.014794 0.014794 0.007095 -0.013422 0.007095 -0.007095 -0.013422 -0.007095 0.007095 0.013422 -0.007095 -0.007095 0.013422 0.007095 0.014794 -0.014794 0.014794 -0.014794 -0.014794 -0.014794 0.000251 0.047991 0.000251 -0.000251 0.047991 -0.000251 0.000251 -0.047991 -0.000251 -0.000251 -0.047991 0.000251 0.047991 0.000251 0.000251 -0.047991 0.000251 -0.000251 -0.013422 0.007095 0.007095 0.013422 0.007095 -0.007095 -0.013422 -0.007095 -0.007095 0.013422 -0.007095 0.007095 -0.007095 -0.007095 -0.013422 0.007095 -0.007095 0.013422 -0.004778 -0.004778 -0.004778 0.004778 -0.004778 0.004778 -0.004778 0.004778 0.004778 0.004778 0.004778 -0.004778 -0.007095 0.007095 0.013422 0.007095 0.007095 -0.013422 0.000251 0.000251 0.047991 -0.000251 0.000251 -0.047991 0.000251 -0.000251 -0.047991 -0.047991 -0.000251 0.000251 0.047991 -0.000251 -0.000251 -0.000000 0.000000 -0.000000 -0.017148 -0.017148 0.042891 -0.007929 -0.007929 0.007929 0.007929 -0.007929 -0.007929 0.005727 -0.011384 0.005727 -0.005727 -0.011384 -0.005727 0.005727 0.011384 -0.005727 -0.005727 0.011384 0.005727 -0.007929 0.007929 -0.007929 0.007929 0.007929 0.007929 0.017148 0.042891 0.017148 -0.017148 0.042891 -0.017148 0.017148 -0.042891 -0.017148 -0.017148 -0.042891 0.017148 0.042891 0.017148 0.017148 -0.042891 0.017148 -0.017148 -0.011384 0.005727 0.005727 0.011384 0.005727 -0.005727 -0.011384 -0.005727 -0.005727 0.011384 -0.005727 0.005727 -0.005727 -0.005727 -0.011384 0.005727 -0.005727 0.011384 -0.004044 -0.004044 -0.004044 0.004044 -0.004044 0.004044 -0.004044 0.004044 0.004044 0.004044 0.004044 -0.004044 -0.005727 0.005727 0.011384 0.005727 0.005727 -0.011384 0.017148 0.017148 0.042891 -0.017148 0.017148 -0.042891 0.017148 -0.017148 -0.042891 -0.042891 -0.017148 0.017148 0.042891 -0.017148 -0.017148 -0.000000 -0.000000 0.000000 -0.010168 -0.010168 0.020377 -0.004678 -0.004678 0.004678 0.004678 -0.004678 -0.004678 0.003538 -0.005662 0.003538 -0.003538 -0.005662 -0.003538 0.003538 0.005662 -0.003538 -0.003538 0.005662 0.003538 -0.004678 0.004678 -0.004678 0.004678 0.004678 0.004678 0.010168 0.020377 0.010168 -0.010168 0.020377 -0.010168 0.010168 -0.020377 -0.010168 -0.010168 -0.020377 0.010168 0.020377 0.010168 0.010168 -0.020377 0.010168 -0.010168 -0.005662 0.003538 0.003538 0.005662 0.003538 -0.003538 -0.005662 -0.003538 -0.003538 0.005662 -0.003538 0.003538 -0.003538 -0.003538 -0.005662 0.003538 -0.003538 0.005662 -0.001456 -0.001456 -0.001456 0.001456 -0.001456 0.001456 -0.001456 0.001456 0.001456 0.001456 0.001456 -0.001456 -0.003538 0.003538 0.005662 0.003538 0.003538 -0.005662 0.010168 0.010168 0.020377 -0.010168 0.010168 -0.020377 0.010168 -0.010168 -0.020377 -0.020377 -0.010168 0.010168 0.020377 -0.010168 -0.010168 0.000000 -0.000000 -0.000000</matrix>
               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-126.95001189</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-126.93812105</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-126.94406647</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">3.5807</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1230770E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.337224727</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.337224727</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">7.337224727</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="0.96862"
                        xFract="0.13201449"
                        y3="0.96862"
                        yFract="0.13201449"
                        z3="2.74367"
                        zFract="0.37393839"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.43178"
                        xFract="0.60401312"
                        y3="4.43178"
                        yFract="0.60401312"
                        z3="2.90544"
                        zFract="0.39598624"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.60269"
                        xFract="0.8998893"
                        y3="4.43178"
                        yFract="0.60401312"
                        z3="0.73453"
                        zFract="0.10011006"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.44759"
                        xFract="0.87875051"
                        y3="2.73297"
                        yFract="0.37248007"
                        z3="2.75034"
                        zFract="0.37484745"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="4.58688"
                        xFract="0.6251519"
                        y3="2.73297"
                        yFract="0.37248007"
                        z3="0.88963"
                        zFract="0.12124884"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="6.44759"
                        xFract="0.87875051"
                        y3="0.96428"
                        yFract="0.13142299"
                        z3="0.88963"
                        zFract="0.12124884"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="4.58688"
                        xFract="0.6251519"
                        y3="0.96428"
                        yFract="0.13142299"
                        z3="2.75034"
                        zFract="0.37484745"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="4.43178"
                        xFract="0.60401312"
                        y3="6.60269"
                        yFract="0.8998893"
                        z3="0.73453"
                        zFract="0.10011006"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.60269"
                        xFract="0.8998893"
                        y3="6.60269"
                        yFract="0.8998893"
                        z3="2.90544"
                        zFract="0.39598624"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="2.72863"
                        xFract="0.37188857"
                        y3="6.44093"
                        yFract="0.87784281"
                        z3="6.3686"
                        zFract="0.86798486"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="0.96862"
                        xFract="0.13201449"
                        y3="6.44093"
                        yFract="0.87784281"
                        z3="4.6086"
                        zFract="0.62811215"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="2.72863"
                        xFract="0.37188857"
                        y3="4.59355"
                        yFract="0.62606097"
                        z3="4.6086"
                        zFract="0.62811215"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="0.96862"
                        xFract="0.13201449"
                        y3="4.59355"
                        yFract="0.62606097"
                        z3="6.3686"
                        zFract="0.86798486"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.44093"
                        xFract="0.87784281"
                        y3="2.72863"
                        yFract="0.37188857"
                        z3="6.3686"
                        zFract="0.86798486"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.59355"
                        xFract="0.62606097"
                        y3="2.72863"
                        yFract="0.37188857"
                        z3="4.6086"
                        zFract="0.62811215"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="2.73297"
                        xFract="0.37248007"
                        y3="6.44759"
                        yFract="0.87875051"
                        z3="2.75034"
                        zFract="0.37484745"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="0.96428"
                        xFract="0.13142299"
                        y3="6.44759"
                        yFract="0.87875051"
                        z3="0.88963"
                        zFract="0.12124884"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="2.73297"
                        xFract="0.37248007"
                        y3="4.58688"
                        yFract="0.6251519"
                        z3="0.88963"
                        zFract="0.12124884"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="0.96428"
                        xFract="0.13142299"
                        y3="4.58688"
                        yFract="0.6251519"
                        z3="2.75034"
                        zFract="0.37484745"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="4.58688"
                        xFract="0.6251519"
                        y3="4.58688"
                        yFract="0.6251519"
                        z3="6.37295"
                        zFract="0.86857773"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.44759"
                        xFract="0.87875051"
                        y3="4.58688"
                        yFract="0.6251519"
                        z3="4.60425"
                        zFract="0.62751928"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.76432"
                        xFract="0.37675281"
                        y3="2.76432"
                        yFract="0.37675281"
                        z3="6.4043"
                        zFract="0.87285046"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.93293"
                        xFract="0.12715026"
                        y3="2.76432"
                        yFract="0.37675281"
                        z3="4.5729"
                        zFract="0.62324655"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.76432"
                        xFract="0.37675281"
                        y3="0.93293"
                        yFract="0.12715026"
                        z3="4.5729"
                        zFract="0.62324655"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="0.93293"
                        xFract="0.12715026"
                        y3="0.93293"
                        yFract="0.12715026"
                        z3="6.4043"
                        zFract="0.87285046"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.58688"
                        xFract="0.6251519"
                        y3="6.44759"
                        yFract="0.87875051"
                        z3="4.60425"
                        zFract="0.62751928"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.44759"
                        xFract="0.87875051"
                        y3="6.44759"
                        yFract="0.87875051"
                        z3="6.37295"
                        zFract="0.86857773"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.72863"
                        xFract="0.37188857"
                        y3="2.72863"
                        yFract="0.37188857"
                        z3="2.74367"
                        zFract="0.37393839"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="0.96862"
                        xFract="0.13201449"
                        y3="2.72863"
                        yFract="0.37188857"
                        z3="0.8963"
                        zFract="0.1221579"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.72863"
                        xFract="0.37188857"
                        y3="0.96862"
                        yFract="0.13201449"
                        z3="0.8963"
                        zFract="0.1221579"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.59355"
                        xFract="0.62606097"
                        y3="0.96862"
                        yFract="0.13201449"
                        z3="6.3686"
                        zFract="0.86798486"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="6.44093"
                        xFract="0.87784281"
                        y3="0.96862"
                        yFract="0.13201449"
                        z3="4.6086"
                        zFract="0.62811215"/>
                  <atom elementType="O"
                        id="a33"
                        x3="5.51724"
                        xFract="0.75195189"
                        y3="5.51724"
                        yFract="0.75195189"
                        z3="1.81999"
                        zFract="0.24804883"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a29" order="S"/>
                  <bond atomRefs2="a1 a30" order="S"/>
                  <bond atomRefs2="a1 a28" order="S"/>
                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a2 a21" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a16" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a28" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a32" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a30" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a7 a30" order="S"/>
                  <bond atomRefs2="a7 a24" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a7 a28" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a10 a20" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a16" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a28" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a22" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a23" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a32" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a15 a31" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a26" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a28" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a29" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a28" order="S"/>
                  <bond atomRefs2="a20 a27" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a26" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
               </bondArray>
               <formula concise="Cu32O">
                  <atomArray count="32 1" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2049.4714000000013</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33/rA:33CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4/rB:;;s2s3;s2s3s4;s4s5;s4s5s6;;;;s10;s2s10s11;s10s11s12;;s2s4s7s12s14;s2s8s11s12;s16;s2s5s8s16s17;s11s12s16s17s18;s10s12s14s15;s2s4s9s14s15s20;s12s13s15s20;s1s12s13s19s22;s1s7s15s22s23;s22s23s24;s2s9s10s12s16s20s21;s20s21s26;s1s2s5s7s12s15s18s19s23s24;s1s18s19s28;s1s5s7s28s29;s14s15s22s24;s4s7s14s15s31;s2s3s8s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
