<?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">2022-08-03T18:33:23.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">4.295075135</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">4.295075135</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.02283174"
                        xFract="0.47096539"
                        y3="4.1703693"
                        yFract="0.97096539"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.1703693"
                        xFract="0.97096539"
                        y3="4.1703693"
                        yFract="0.97096539"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="4.1703693"
                        xFract="0.97096539"
                        y3="2.02283174"
                        yFract="0.47096539"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="2.02283174"
                        xFract="0.47096539"
                        y3="2.02283174"
                        yFract="0.47096539"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="2.02283174"
                        xFract="0.47096539"
                        y3="4.1703693"
                        yFract="0.97096539"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="4.1703693"
                        xFract="0.97096539"
                        y3="4.1703693"
                        yFract="0.97096539"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="2.02283174"
                        xFract="0.47096539"
                        y3="2.02283174"
                        yFract="0.47096539"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="4.1703693"
                        xFract="0.97096539"
                        y3="2.02283174"
                        yFract="0.47096539"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="4.1703693"
                        xFract="0.97096539"
                        y3="4.1703693"
                        yFract="0.97096539"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="4.1703693"
                        xFract="0.97096539"
                        y3="2.02283174"
                        yFract="0.47096539"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.02283174"
                        xFract="0.47096539"
                        y3="2.02283174"
                        yFract="0.47096539"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="2.02283174"
                        xFract="0.47096539"
                        y3="4.1703693"
                        yFract="0.97096539"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="O"
                        id="a13"
                        x3="0.94906295"
                        xFract="0.22096539"
                        y3="0.94906295"
                        yFract="0.22096539"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.94906295"
                        xFract="0.22096539"
                        y3="0.94906295"
                        yFract="0.22096539"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="O"
                        id="a15"
                        x3="3.09660052"
                        xFract="0.72096539"
                        y3="3.09660052"
                        yFract="0.72096539"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="O"
                        id="a16"
                        x3="0.94906295"
                        xFract="0.22096539"
                        y3="0.94906295"
                        yFract="0.22096539"
                        z3="10.59015018"
                        zFract="0.36756733"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
               </bondArray>
               <formula concise="Cu12O4">
                  <atomArray count="12 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">826.5496000000003</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/12Cu.4O">
                  <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/rA:16CuCuCuCuCuCuCuCuCuCuCuCuO0O1O4O1/rB:;;;;;;;;;;;;s11;s1s9s10s11;s7;/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">156.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">12 4</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">8 8 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="21">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2016">-21.9125 -21.3711 -21.2329 -18.9567 -9.1481 -8.9433 -8.8300 -8.7419 -8.5785 -8.4563 -8.0392 -7.7965 -7.3965 -7.2365 -6.9594 -6.2054 -6.0011 -5.9071 -5.8602 -5.7438 -5.6562 -5.5585 -5.5294 -5.4632 -5.4434 -5.3684 -5.3418 -5.3365 -5.1640 -5.1367 -5.0996 -4.9045 -4.8914 -4.8487 -4.8370 -4.7971 -4.7850 -4.7263 -4.7173 -4.7169 -4.5522 -4.5299 -4.4632 -4.3592 -4.3374 -4.3346 -4.2734 -4.2438 -4.2176 -4.2017 -4.1952 -4.1768 -4.1633 -4.1048 -4.0762 -4.0563 -4.0424 -4.0242 -3.9886 -3.9874 -3.9396 -3.9322 -3.9234 -3.8793 -3.8762 -3.8636 -3.8228 -3.7644 -3.7612 -3.7433 -3.7221 -3.2149 -3.1131 -3.0040 -2.8484 -2.7703 -2.3205 -2.2789 -2.2286 -1.1211 -0.7467 -0.1136 0.0360 0.3895 1.2391 1.7131 1.7941 2.0736 2.2366 2.3368 2.9281 3.3442 3.4506 3.7202 4.0106 4.4331 -21.9005 -21.3704 -21.2337 -18.9572 -9.1110 -9.0039 -8.8493 -8.7176 -8.6596 -8.3309 -7.9399 -7.8497 -7.4807 -7.1926 -6.8439 -6.1727 -5.9902 -5.8755 -5.8480 -5.7760 -5.6336 -5.5783 -5.4716 -5.4519 -5.4380 -5.3723 -5.3612 -5.3369 -5.2013 -5.1268 -5.1017 -4.9734 -4.9298 -4.9008 -4.8512 -4.8417 -4.7747 -4.7514 -4.7453 -4.6386 -4.5976 -4.5446 -4.4850 -4.3884 -4.3530 -4.3040 -4.2876 -4.2448 -4.2428 -4.2219 -4.2155 -4.1791 -4.1410 -4.1062 -4.0967 -4.0930 -4.0579 -4.0081 -4.0001 -3.9703 -3.9453 -3.9367 -3.9099 -3.8912 -3.8783 -3.8421 -3.8136 -3.7771 -3.7263 -3.6310 -3.5944 -3.2346 -3.1511 -3.0868 -2.8332 -2.7601 -2.5229 -2.3086 -2.1952 -1.2205 -0.6897 -0.1252 0.0107 0.3697 1.2528 1.5074 1.6887 2.2317 2.2881 2.8827 2.9463 3.1449 3.3377 3.8838 4.1370 4.2511 -21.8703 -21.3708 -21.2347 -18.9585 -9.2813 -8.9460 -8.8421 -8.6311 -8.6126 -8.2405 -7.9583 -7.7134 -7.6347 -7.0925 -6.6004 -6.1103 -5.9637 -5.9055 -5.8141 -5.7267 -5.5833 -5.5574 -5.5017 -5.4462 -5.4348 -5.3840 -5.3687 -5.3158 -5.2660 -5.1754 -5.0951 -5.0543 -5.0470 -4.9869 -4.9455 -4.8731 -4.7946 -4.7582 -4.7242 -4.6526 -4.6019 -4.5638 -4.5209 -4.4296 -4.4031 -4.3761 -4.3241 -4.2798 -4.2579 -4.2430 -4.2270 -4.1970 -4.1546 -4.1241 -4.0975 -4.0869 -4.0483 -4.0208 -4.0046 -3.9758 -3.9627 -3.9383 -3.9173 -3.8904 -3.8660 -3.8016 -3.7848 -3.6934 -3.5998 -3.4808 -3.4389 -3.4184 -3.2810 -3.0486 -2.9380 -2.7957 -2.6651 -2.3913 -2.2512 -1.6017 -0.7499 -0.1895 0.3253 0.7002 1.0926 1.6093 1.8136 2.2228 2.5083 2.7027 3.0020 3.1425 3.4011 3.5771 4.5184 4.6693 -21.8379 -21.3751 -21.2338 -18.9598 -9.4604 -8.9389 -8.8393 -8.4721 -8.4121 -8.2065 -8.0478 -7.7936 -7.4968 -6.9383 -6.3560 -6.1396 -6.0389 -5.8542 -5.7855 -5.6374 -5.6067 -5.5571 -5.5337 -5.5102 -5.4473 -5.4228 -5.3730 -5.3076 -5.2761 -5.1870 -5.1632 -5.1509 -5.0669 -5.0145 -4.9962 -4.9065 -4.8280 -4.7925 -4.7161 -4.6589 -4.6377 -4.5535 -4.5370 -4.4769 -4.4241 -4.3849 -4.3707 -4.3131 -4.2917 -4.2676 -4.2474 -4.2023 -4.1613 -4.1475 -4.0830 -4.0810 -4.0574 -4.0361 -4.0147 -3.9898 -3.9766 -3.9561 -3.9179 -3.8973 -3.8355 -3.8226 -3.7710 -3.6745 -3.5461 -3.5109 -3.4495 -3.3428 -3.2715 -3.0871 -2.9803 -2.7543 -2.6802 -2.6078 -2.4900 -1.4546 -1.0729 -0.0663 0.4186 0.8431 1.3304 1.5031 2.0605 2.3770 2.6119 2.7847 3.1604 3.3735 3.4592 3.8437 3.9854 4.3842 -21.8236 -21.3783 -21.2329 -18.9603 -9.5268 -8.9488 -8.8438 -8.3731 -8.2742 -8.2068 -8.1078 -7.8701 -7.4000 -6.7708 -6.4383 -6.1223 -6.0591 -5.7744 -5.7418 -5.7236 -5.6636 -5.5499 -5.5183 -5.4970 -5.4561 -5.4352 -5.3884 -5.3102 -5.2838 -5.2508 -5.1982 -5.0983 -5.0586 -5.0389 -5.0031 -4.9145 -4.8633 -4.8214 -4.7314 -4.6711 -4.6458 -4.5507 -4.5339 -4.5008 -4.4012 -4.3772 -4.3497 -4.3336 -4.2958 -4.2791 -4.2608 -4.1921 -4.1614 -4.1402 -4.1074 -4.0986 -4.0868 -4.0263 -4.0177 -4.0126 -3.9651 -3.9596 -3.9501 -3.9427 -3.8826 -3.7735 -3.7700 -3.6604 -3.5298 -3.5070 -3.4054 -3.3307 -3.3151 -3.0592 -3.0040 -2.7790 -2.6957 -2.6315 -2.5419 -1.5877 -0.7752 -0.1551 0.0288 1.1827 1.2843 1.7599 2.1140 2.4113 2.9112 2.9641 3.1275 3.2113 3.7521 3.8087 3.9346 4.0956 -21.8828 -21.3750 -21.2378 -18.9536 -9.1726 -8.9823 -8.8245 -8.7474 -8.6299 -8.0792 -8.0586 -7.8657 -7.6554 -7.1594 -6.7756 -6.1452 -6.0124 -5.8088 -5.7910 -5.7753 -5.6083 -5.5920 -5.4526 -5.4407 -5.4374 -5.4167 -5.3272 -5.3270 -5.2149 -5.1509 -5.0916 -5.0476 -4.9602 -4.9165 -4.8578 -4.8138 -4.7424 -4.7167 -4.6736 -4.6472 -4.6267 -4.5224 -4.4559 -4.4201 -4.3639 -4.3558 -4.2694 -4.2619 -4.2378 -4.2173 -4.2089 -4.1640 -4.1357 -4.0911 -4.0883 -4.0783 -4.0399 -4.0396 -4.0162 -3.9945 -3.9741 -3.9362 -3.8972 -3.8843 -3.8818 -3.8615 -3.8363 -3.7670 -3.7648 -3.7116 -3.4118 -3.2626 -3.2547 -3.0599 -2.9733 -2.6992 -2.5540 -2.4113 -2.1356 -1.2854 -0.6082 -0.2394 0.0964 0.1416 1.2338 1.3283 1.6953 2.0395 2.3358 3.0575 3.1805 3.3699 3.4982 3.6981 4.2584 4.4617 -21.8531 -21.3786 -21.2376 -18.9519 -9.3101 -8.9044 -8.8209 -8.6901 -8.5228 -8.1500 -7.9495 -7.8529 -7.7306 -7.0757 -6.5756 -6.0949 -6.0100 -5.8549 -5.7351 -5.7132 -5.6265 -5.5565 -5.5441 -5.4449 -5.4358 -5.4104 -5.3394 -5.2583 -5.2435 -5.1714 -5.0993 -5.0925 -5.0503 -4.9670 -4.8672 -4.8192 -4.7533 -4.7368 -4.7181 -4.6412 -4.5939 -4.5476 -4.4778 -4.4428 -4.3921 -4.3838 -4.3090 -4.2820 -4.2575 -4.2372 -4.2146 -4.1771 -4.1458 -4.1196 -4.0901 -4.0730 -4.0612 -4.0209 -4.0068 -3.9870 -3.9766 -3.9479 -3.9218 -3.9062 -3.8819 -3.8419 -3.8066 -3.7471 -3.7134 -3.5391 -3.4592 -3.3614 -3.2317 -3.1338 -2.9453 -2.8242 -2.6466 -2.4294 -2.1649 -1.6096 -0.5507 -0.2029 -0.0702 0.4834 0.9968 1.3260 1.7869 1.9552 2.3458 2.7257 3.1662 3.4421 3.5705 3.9964 4.1797 4.3181 -21.8286 -21.3788 -21.2334 -18.9531 -9.4238 -8.9114 -8.8436 -8.5538 -8.3395 -8.1925 -8.0462 -7.8774 -7.5153 -6.9133 -6.3537 -6.1390 -5.9912 -5.8982 -5.7673 -5.6838 -5.6691 -5.6007 -5.5503 -5.4538 -5.4394 -5.4103 -5.3388 -5.2747 -5.2466 -5.1964 -5.1869 -5.1167 -5.0727 -4.9509 -4.9101 -4.8628 -4.8269 -4.7523 -4.7068 -4.6567 -4.6324 -4.5474 -4.4914 -4.4583 -4.3964 -4.3812 -4.3615 -4.3220 -4.2903 -4.2697 -4.2090 -4.1788 -4.1755 -4.1301 -4.1229 -4.0861 -4.0739 -4.0428 -4.0354 -4.0210 -4.0025 -3.9620 -3.9245 -3.9170 -3.8750 -3.8084 -3.7332 -3.6780 -3.5418 -3.5324 -3.4511 -3.4113 -3.2435 -3.1580 -3.0728 -2.7653 -2.6326 -2.5953 -2.4764 -1.3796 -0.9883 -0.0402 0.3261 0.5852 0.9390 1.3759 1.5162 2.1819 2.2426 2.6917 2.9982 3.4336 3.8294 4.0092 4.1174 4.2183 -21.8257 -21.3718 -21.2293 -18.9566 -9.4475 -8.9585 -8.8308 -8.4701 -8.3049 -8.2115 -8.1398 -7.7889 -7.3698 -6.7351 -6.4082 -6.0913 -6.0623 -5.8133 -5.8102 -5.7527 -5.7030 -5.5683 -5.5532 -5.4699 -5.4468 -5.3819 -5.3463 -5.2916 -5.2622 -5.2522 -5.2157 -5.0833 -5.0257 -4.9907 -4.9615 -4.9330 -4.8672 -4.8031 -4.6931 -4.6617 -4.6287 -4.5567 -4.5477 -4.5019 -4.4114 -4.3871 -4.3582 -4.3456 -4.3265 -4.2586 -4.2437 -4.2014 -4.1951 -4.1414 -4.1230 -4.1068 -4.0721 -4.0297 -4.0259 -4.0015 -3.9890 -3.9604 -3.9442 -3.9007 -3.8300 -3.8271 -3.7364 -3.6504 -3.5651 -3.4807 -3.4294 -3.3367 -3.2838 -3.1401 -3.0496 -2.7796 -2.6865 -2.6290 -2.5447 -1.3803 -0.8327 -0.1993 0.2384 0.7877 1.0859 1.2630 1.7387 1.7744 2.2561 2.8283 3.2153 3.4865 3.6833 4.1028 4.2209 4.2942 -21.8459 -21.3624 -21.2273 -18.9603 -9.3619 -8.9579 -8.8220 -8.5253 -8.4234 -8.3386 -8.0944 -7.6333 -7.3842 -6.9208 -6.2542 -6.1182 -6.0963 -5.9121 -5.8187 -5.6966 -5.6532 -5.5921 -5.5364 -5.4567 -5.4305 -5.3816 -5.3287 -5.2997 -5.2809 -5.1955 -5.1717 -5.1097 -5.0810 -5.0147 -5.0086 -4.8939 -4.8573 -4.8199 -4.6977 -4.6501 -4.6336 -4.5866 -4.5438 -4.4904 -4.4630 -4.4354 -4.3834 -4.3390 -4.3087 -4.2812 -4.2339 -4.1851 -4.1680 -4.1409 -4.1093 -4.0940 -4.0789 -4.0385 -3.9991 -3.9888 -3.9539 -3.9441 -3.8965 -3.8546 -3.8112 -3.7822 -3.7648 -3.6974 -3.5863 -3.5046 -3.4540 -3.3124 -3.2039 -3.0828 -2.9698 -2.7566 -2.6806 -2.6037 -2.5634 -1.2547 -1.0271 -0.0053 0.3125 0.5243 0.7925 1.2688 1.7991 2.1345 2.5840 2.6532 3.0818 3.2776 3.6431 4.0056 4.2003 4.4140 -21.8754 -21.3598 -21.2269 -18.9619 -9.1861 -8.9545 -8.8283 -8.7129 -8.5541 -8.4011 -8.0296 -7.5582 -7.4694 -7.0684 -6.4960 -6.1103 -5.9850 -5.9217 -5.8645 -5.7517 -5.6150 -5.6060 -5.5299 -5.4358 -5.4103 -5.3792 -5.3158 -5.2850 -5.2652 -5.2272 -5.1314 -5.0653 -5.0278 -4.9958 -4.9337 -4.9018 -4.8080 -4.7919 -4.7362 -4.7013 -4.6303 -4.5653 -4.5487 -4.4714 -4.4123 -4.3883 -4.3744 -4.3029 -4.2902 -4.2532 -4.2074 -4.1790 -4.1501 -4.1396 -4.1168 -4.0913 -4.0560 -4.0351 -3.9937 -3.9690 -3.9430 -3.9348 -3.9156 -3.8570 -3.8387 -3.7719 -3.7635 -3.6999 -3.5981 -3.5331 -3.4348 -3.2507 -3.1633 -3.0723 -2.9861 -2.7888 -2.6803 -2.5413 -2.1428 -1.4821 -0.6174 -0.2008 -0.0572 0.4003 1.0684 1.4369 1.7164 2.0071 2.4266 2.6941 3.2384 3.4191 3.4509 4.0358 4.1745 4.5291 -21.8973 -21.3643 -21.2289 -18.9606 -9.0535 -8.9801 -8.8847 -8.7904 -8.5403 -8.4941 -7.9275 -7.7498 -7.4051 -7.1647 -6.7287 -6.1538 -5.9606 -5.9092 -5.8793 -5.7993 -5.6352 -5.5679 -5.4832 -5.4457 -5.4301 -5.4179 -5.3440 -5.3029 -5.2224 -5.1716 -5.0217 -5.0194 -5.0121 -4.9282 -4.8926 -4.8618 -4.8002 -4.7835 -4.7500 -4.6586 -4.6276 -4.5598 -4.5440 -4.3930 -4.3475 -4.3382 -4.3218 -4.2838 -4.2676 -4.1956 -4.1887 -4.1749 -4.1704 -4.1605 -4.1088 -4.0671 -4.0594 -4.0258 -3.9755 -3.9714 -3.9577 -3.9380 -3.8805 -3.8778 -3.8699 -3.8212 -3.7632 -3.7391 -3.7304 -3.6063 -3.4429 -3.2015 -3.1905 -3.1004 -2.8346 -2.7480 -2.6078 -2.4713 -2.0960 -1.1644 -0.6106 -0.2246 -0.0258 0.1205 1.3773 1.3809 1.6884 1.9811 2.3448 2.6701 3.0706 3.5303 3.7984 4.0616 4.2673 4.4365 -21.8334 -21.3792 -21.2338 -18.9458 -9.3008 -8.8658 -8.7704 -8.7665 -8.4041 -8.2185 -8.0037 -7.9049 -7.6003 -7.0027 -6.4307 -6.0673 -6.0334 -5.8496 -5.7868 -5.7383 -5.6852 -5.5781 -5.5712 -5.4285 -5.4188 -5.3891 -5.3327 -5.2631 -5.2368 -5.1915 -5.1318 -5.0451 -4.9805 -4.9555 -4.8313 -4.8016 -4.7446 -4.7248 -4.6635 -4.6356 -4.6253 -4.5606 -4.4831 -4.4479 -4.3909 -4.3688 -4.2954 -4.2938 -4.2715 -4.2498 -4.2006 -4.1963 -4.1544 -4.1337 -4.0828 -4.0765 -4.0727 -4.0631 -4.0429 -4.0367 -3.9855 -3.9581 -3.9523 -3.9150 -3.8685 -3.8102 -3.7783 -3.7692 -3.7159 -3.5840 -3.4780 -3.4242 -3.1899 -3.1414 -3.0082 -2.8571 -2.6216 -2.5004 -1.9321 -1.7627 -0.8049 -0.1559 -0.1019 0.3763 0.7086 0.9640 1.5929 1.9123 2.0352 2.8500 3.0062 3.2175 3.4273 3.7763 3.9829 4.3881 -21.8237 -21.3701 -21.2265 -18.9439 -9.2832 -8.9411 -8.7998 -8.6840 -8.3045 -8.2630 -8.0852 -7.8087 -7.4412 -6.8254 -6.2587 -6.1589 -5.9970 -5.9209 -5.8926 -5.7934 -5.7085 -5.5885 -5.5409 -5.4334 -5.4081 -5.3612 -5.3399 -5.2844 -5.2594 -5.2417 -5.1000 -5.0505 -4.9804 -4.9172 -4.8534 -4.8260 -4.7488 -4.7391 -4.6684 -4.6376 -4.5821 -4.5347 -4.4930 -4.4457 -4.4256 -4.3955 -4.3800 -4.3269 -4.3083 -4.2732 -4.2352 -4.1877 -4.1712 -4.1420 -4.1413 -4.1161 -4.0724 -4.0545 -4.0310 -4.0092 -3.9702 -3.9439 -3.9286 -3.8802 -3.8525 -3.8225 -3.7863 -3.7083 -3.6608 -3.5502 -3.4501 -3.3889 -3.3746 -3.2026 -2.9950 -2.8459 -2.6006 -2.5188 -2.4263 -1.4836 -0.6751 -0.4695 -0.0656 0.4735 0.6208 0.9284 1.1328 1.6188 1.8184 2.8699 3.0985 3.2174 3.6644 3.7632 4.0145 4.4572 -21.8301 -21.3562 -21.2203 -18.9474 -9.2544 -8.9931 -8.7852 -8.6397 -8.4032 -8.2115 -8.1444 -7.6543 -7.3309 -6.6582 -6.3396 -6.1453 -5.9995 -5.9558 -5.9060 -5.8311 -5.7039 -5.6026 -5.5507 -5.4392 -5.4071 -5.3613 -5.3382 -5.2734 -5.2547 -5.2147 -5.1247 -5.0696 -4.9755 -4.9496 -4.9105 -4.8704 -4.7998 -4.7444 -4.6828 -4.6347 -4.5867 -4.5690 -4.5314 -4.4906 -4.4618 -4.4137 -4.3739 -4.3342 -4.3216 -4.2907 -4.2566 -4.2174 -4.1759 -4.1632 -4.1381 -4.1198 -4.0520 -4.0407 -4.0202 -3.9878 -3.9654 -3.9210 -3.8870 -3.8472 -3.8174 -3.8025 -3.7544 -3.6708 -3.6391 -3.5713 -3.4802 -3.4357 -3.2522 -3.1818 -3.0830 -2.7600 -2.6938 -2.6111 -2.5462 -1.0917 -0.9262 -0.4806 -0.1817 0.3560 0.7062 0.8779 1.2194 1.4499 1.8862 2.6249 3.1369 3.5608 3.6706 3.8704 4.3560 4.5527 -21.8476 -21.3478 -21.2175 -18.9541 -9.1899 -8.9796 -8.7719 -8.6102 -8.5241 -8.3806 -8.1091 -7.5085 -7.3002 -6.8520 -6.2659 -6.0755 -6.0563 -5.9512 -5.8760 -5.8369 -5.7612 -5.6002 -5.4899 -5.4426 -5.4067 -5.3814 -5.3056 -5.2939 -5.1743 -5.1672 -5.1547 -5.0789 -5.0185 -5.0030 -4.9740 -4.9155 -4.8664 -4.7544 -4.6977 -4.6331 -4.6194 -4.5838 -4.5435 -4.5067 -4.4739 -4.4561 -4.3911 -4.3463 -4.3346 -4.2948 -4.2409 -4.2147 -4.1788 -4.1501 -4.1347 -4.1113 -4.0332 -4.0094 -3.9898 -3.9664 -3.9561 -3.9202 -3.8855 -3.8585 -3.7999 -3.7653 -3.7514 -3.6777 -3.6034 -3.5288 -3.4535 -3.3583 -3.2294 -3.0944 -3.0674 -2.7632 -2.6759 -2.5969 -2.4725 -1.3569 -0.8467 -0.5206 -0.0866 0.3287 0.5547 1.3594 1.5267 1.5449 2.0221 2.4674 3.0218 3.2115 3.5851 3.7534 4.3153 4.6533 -21.8660 -21.3502 -21.2198 -18.9601 -9.0770 -9.0405 -8.7702 -8.6271 -8.5976 -8.4721 -8.0962 -7.4331 -7.3887 -6.9997 -6.3402 -6.1173 -6.0135 -5.9506 -5.8407 -5.7999 -5.7116 -5.6249 -5.5321 -5.4084 -5.4043 -5.3414 -5.3350 -5.2670 -5.1950 -5.1925 -5.1334 -5.0836 -5.0519 -5.0301 -4.9672 -4.8942 -4.8876 -4.7978 -4.7150 -4.6585 -4.6159 -4.5847 -4.5320 -4.5262 -4.4707 -4.4488 -4.3923 -4.3114 -4.3076 -4.2798 -4.2214 -4.1935 -4.1505 -4.1345 -4.1302 -4.1167 -4.0468 -4.0242 -3.9868 -3.9468 -3.9431 -3.9178 -3.8991 -3.8990 -3.8343 -3.7345 -3.6936 -3.6787 -3.6199 -3.5028 -3.4907 -3.1977 -3.1259 -3.1182 -2.9622 -2.8878 -2.7112 -2.6091 -1.9683 -1.6325 -0.8880 -0.2765 -0.0625 0.2253 0.7143 1.5206 1.7518 1.9719 2.1375 2.5392 2.9786 3.3130 3.3755 3.4998 3.9366 4.8171 -21.8262 -21.3540 -21.2174 -18.9376 -9.1728 -8.9708 -8.8095 -8.6963 -8.3878 -8.1947 -8.1327 -7.6780 -7.3723 -6.7078 -6.2549 -6.1358 -6.1110 -6.0112 -5.8787 -5.8709 -5.6952 -5.5581 -5.5409 -5.4170 -5.4080 -5.3529 -5.3368 -5.2632 -5.2392 -5.2319 -5.0981 -5.0214 -4.9381 -4.8963 -4.8644 -4.8161 -4.7226 -4.6605 -4.6272 -4.6133 -4.5764 -4.5202 -4.5016 -4.4851 -4.4188 -4.4019 -4.3778 -4.3628 -4.2968 -4.2665 -4.2613 -4.2067 -4.1708 -4.1695 -4.1399 -4.0642 -4.0617 -4.0276 -4.0067 -3.9853 -3.9643 -3.9590 -3.9285 -3.8977 -3.8331 -3.7982 -3.7980 -3.7542 -3.6943 -3.6057 -3.5132 -3.3745 -3.3720 -3.2477 -2.9362 -2.9088 -2.5882 -2.5283 -2.3930 -1.8276 -0.7948 -0.5504 -0.2734 -0.0876 0.5318 0.9281 1.0862 1.4309 1.7019 2.8781 2.9211 3.3599 3.5165 3.6224 4.1629 4.4916 -21.8340 -21.3410 -21.2109 -18.9380 -9.2005 -8.8754 -8.7893 -8.7005 -8.4694 -8.2009 -8.1371 -7.5432 -7.3283 -6.7081 -6.3258 -6.1538 -6.0899 -6.0016 -5.9106 -5.8668 -5.6475 -5.6026 -5.5530 -5.4138 -5.3928 -5.3483 -5.3371 -5.2300 -5.2120 -5.1821 -5.1183 -5.0512 -4.9467 -4.9310 -4.8924 -4.7924 -4.7203 -4.6623 -4.6293 -4.6157 -4.5863 -4.5728 -4.5276 -4.4602 -4.4435 -4.4120 -4.3896 -4.3805 -4.3206 -4.2841 -4.2362 -4.2053 -4.1882 -4.1772 -4.1249 -4.0894 -4.0497 -4.0068 -3.9896 -3.9465 -3.9391 -3.8851 -3.8525 -3.8429 -3.8206 -3.8013 -3.7684 -3.7610 -3.6759 -3.6350 -3.5784 -3.4746 -3.3725 -3.1333 -2.9969 -2.7690 -2.7189 -2.5930 -2.5318 -1.7341 -1.2540 -0.4600 -0.4082 -0.1430 0.6701 0.9307 1.1580 1.3645 1.6705 2.8584 2.9152 3.0639 3.6048 3.8297 4.2696 4.3401 -21.8427 -21.3388 -21.2108 -18.9449 -9.1848 -8.8555 -8.7180 -8.7034 -8.6055 -8.2988 -8.1098 -7.4710 -7.2948 -6.7419 -6.4023 -6.0697 -5.9981 -5.9854 -5.9607 -5.8307 -5.7802 -5.5843 -5.4973 -5.4311 -5.4058 -5.3779 -5.3001 -5.2683 -5.1760 -5.1431 -5.1370 -5.0538 -5.0152 -4.9565 -4.9314 -4.8219 -4.7329 -4.7184 -4.6628 -4.6299 -4.6193 -4.6085 -4.5013 -4.4823 -4.4565 -4.4439 -4.4086 -4.3550 -4.3395 -4.3245 -4.2397 -4.2318 -4.1782 -4.1708 -4.1632 -4.0567 -4.0524 -4.0093 -3.9597 -3.9434 -3.9420 -3.8853 -3.8559 -3.8479 -3.8347 -3.7625 -3.7458 -3.6989 -3.6477 -3.5917 -3.5435 -3.3765 -3.3582 -3.1277 -3.0466 -2.7606 -2.6595 -2.5676 -2.3827 -1.9857 -0.9590 -0.5370 -0.1731 0.0858 0.4347 0.8818 1.3563 1.6277 1.7174 2.4821 3.1050 3.3004 3.4276 3.8926 4.0839 4.4341 -21.8353 -21.3348 -21.2067 -18.9340 -9.2324 -8.8312 -8.7723 -8.6739 -8.4599 -8.1897 -8.1449 -7.4895 -7.3483 -6.8289 -6.2343 -6.2128 -6.0910 -6.0497 -5.8794 -5.8737 -5.6102 -5.5863 -5.5743 -5.4026 -5.3943 -5.3428 -5.3235 -5.2039 -5.1900 -5.1611 -5.1209 -5.0527 -4.9513 -4.9297 -4.8961 -4.7280 -4.7138 -4.6383 -4.6204 -4.6108 -4.5944 -4.5521 -4.5456 -4.4391 -4.4364 -4.4279 -4.4155 -4.3569 -4.2957 -4.2464 -4.2310 -4.2180 -4.2062 -4.1874 -4.1154 -4.0396 -4.0394 -4.0290 -3.9743 -3.9684 -3.8960 -3.8891 -3.8762 -3.8731 -3.8143 -3.7757 -3.7550 -3.6886 -3.6780 -3.6470 -3.6098 -3.4674 -3.4616 -3.0754 -2.9622 -2.7722 -2.7524 -2.6265 -2.5240 -2.0856 -1.5887 -0.5638 -0.2913 -0.2272 0.7404 0.9098 1.1378 1.3722 1.7759 2.6568 2.7960 3.0470 3.4670 3.5077 4.4539 5.0803</array>
                     <array dataType="xsd:double" dictRef="cc:occup" size="2016">2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 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 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 2.00000 1.70883 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.61890 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.94872 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.98827 0.00003 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00080 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99999 0.25550 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.96261 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99693 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.94526 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.16822 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.99640 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.60978 0.00047 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.96862 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99999 0.18583 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99996 1.80891 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99999 1.85936 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.99843 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 1.73074 0.00000 0.00000 0.00000 0.00000 0.00000 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="48"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="44"
                          units="nonsi2:ev.angstrom-1">-1.055234 1.055234 -0.822944 -0.117658 -0.117658 -1.046838 -0.864668 0.864668 1.139987 0.117658 0.117658 -1.046838 0.864668 -0.864668 1.139987 -1.041086 -1.041086 -0.972475 1.041086 1.041086 -0.972475 -1.012686 1.012686 1.141141 -0.067328 -0.067328 0.038953 1.055234 -1.055234 -0.822944 0.067328 0.067328 0.038953 1.012686 -1.012686 1.141141 0.000000 0.000000 1.752450 0.000000 -0.000000 -0.497620 0.000000 -0.000000 -0.106015 0.000000 0.000000 -0.104462 -1.048039 1.048039 -0.824393 -0.132406 -0.132406 -1.064841 -0.513838 0.513838 0.806984 0.132406 0.132406 -1.064841 0.513838 -0.513838 0.806984 -0.687240 -0.687240 -0.619836 0.687240 0.687240 -0.619836 -0.657379 0.657379 0.767158 -0.077410 -0.077410 0.035420 1.048039 -1.048039 -0.824393 0.077410 0.077410 0.035420 0.657379 -0.657379 0.767158 0.000000 -0.000000 1.745325 0.000000 -0.000000 0.281994 0.000000 0.000000 -0.099148 0.000000 0.000000 -0.129156 -1.033895 1.033895 -0.821037 -0.149546 -0.149546 -1.078690 0.015215 -0.015215 0.313301 0.149546 0.149546 -1.078690 -0.015215 0.015215 0.313301 -0.132524 -0.132524 -0.097139 0.132524 0.132524 -0.097139 -0.191922 0.191922 0.257112 -0.107784 -0.107784 0.012663 1.033895 -1.033895 -0.821037 0.107784 0.107784 0.012663 0.191922 -0.191922 0.257112 -0.000000 -0.000000 1.735607 -0.000000 -0.000000 1.340747 -0.000000 -0.000000 -0.083353 -0.000000 -0.000000 -0.165419 -1.027355 1.027355 -0.819309 -0.156258 -0.156258 -1.069500 0.173575 -0.173575 0.164554 0.156258 0.156258 -1.069500 -0.173575 0.173575 0.164554 0.073723 0.073723 0.105435 -0.073723 -0.073723 0.105435 -0.046482 0.046482 0.070100 -0.122396 -0.122396 -0.003049 1.027355 -1.027355 -0.819309 0.122396 0.122396 -0.003049 0.046482 -0.046482 0.070100 -0.000000 0.000000 1.728498 -0.000000 0.000000 1.629587 -0.000000 -0.000000 -0.084614 -0.000000 -0.000000 -0.169933 -1.025742 1.025742 -0.818857 -0.153453 -0.153453 -1.058529 0.227310 -0.227310 0.113223 0.153453 0.153453 -1.058529 -0.227310 0.227310 0.113223 0.151950 0.151950 0.181573 -0.151950 -0.151950 0.181573 0.012200 -0.012200 -0.001510 -0.128312 -0.128312 -0.010531 1.025742 -1.025742 -0.818857 0.128312 0.128312 -0.010531 -0.012200 0.012200 -0.001510 -0.000000 0.000000 1.726048 -0.000000 0.000000 1.719344 0.000000 -0.000000 -0.084604 -0.000000 -0.000000 -0.171526 -1.037295 1.037295 -0.792513 -0.136569 -0.136569 -1.008615 0.290803 -0.290803 0.043092 0.136569 0.136569 -1.008615 -0.290803 0.290803 0.043092 0.200944 0.200944 0.239432 -0.200944 -0.200944 0.239432 0.062110 -0.062110 -0.016754 0.168634 0.168634 0.338309 1.037295 -1.037295 -0.792513 -0.168634 -0.168634 0.338309 -0.062110 0.062110 -0.016754 0.000000 -0.000000 1.733247 0.000000 -0.000000 0.964550 -0.000000 -0.000000 -0.140063 -0.000000 -0.000000 -0.163634 -1.066744 1.066744 -0.725796 0.008600 0.008600 -0.657383 0.539010 -0.539010 -0.348306 -0.008600 -0.008600 -0.657383 -0.539010 0.539010 -0.348306 0.364064 0.364064 0.415822 -0.364064 -0.364064 0.415822 0.251077 -0.251077 -0.072336 0.665436 0.665436 1.055754 1.066744 -1.066744 -0.725796 -0.665436 -0.665436 1.055754 -0.251077 0.251077 -0.072336 -0.000000 0.000000 1.725811 0.000000 0.000000 -0.673192 -0.000000 0.000000 -0.279158 -0.000000 0.000000 -0.108970 -1.069696 1.069696 -0.724266 0.015874 0.015874 -0.523964 0.482082 -0.482082 -0.366089 -0.015874 -0.015874 -0.523964 -0.482082 0.482082 -0.366089 0.168509 0.168509 0.202088 -0.168509 -0.168509 0.202088 0.156212 -0.156212 0.031637 0.669713 0.669713 1.068111 1.069696 -1.069696 -0.724266 -0.669713 -0.669713 1.068111 -0.156212 0.156212 0.031637 -0.000000 0.000000 1.727717 0.000000 0.000000 -0.734911 0.000000 -0.000000 -0.274680 -0.000000 0.000000 -0.093158 -1.073982 1.073982 -0.716758 -0.181735 -0.181735 0.066292 0.046743 -0.046743 -0.431084 0.181735 0.181735 0.066292 -0.046743 0.046743 -0.431084 -0.536612 -0.536612 -0.548550 0.536612 0.536612 -0.548550 -0.074203 0.074203 0.228343 0.686092 0.686092 1.093625 1.073982 -1.073982 -0.716758 -0.686092 -0.686092 1.093625 0.074203 -0.074203 0.228343 -0.000000 0.000000 1.730237 -0.000000 0.000000 -0.925995 -0.000000 0.000000 -0.267806 -0.000000 0.000000 0.079829 -1.073139 1.073139 -0.718163 -0.086965 -0.086965 -0.121772 0.215227 -0.215227 -0.416140 0.086965 0.086965 -0.121772 -0.215227 0.215227 -0.416140 -0.309372 -0.309372 -0.322340 0.309372 0.309372 -0.322340 -0.016794 0.016794 0.186286 0.681071 0.681071 1.088136 1.073139 -1.073139 -0.718163 -0.681071 -0.681071 1.088136 0.016794 -0.016794 0.186286 -0.000000 -0.000000 1.730720 -0.000000 -0.000000 -0.871184 -0.000000 -0.000000 -0.266403 0.000000 -0.000000 0.014852 -1.060097 1.060097 -0.744685 -0.226282 -0.226282 -0.098324 -0.093479 0.093479 -0.134089 0.226282 0.226282 -0.098324 0.093479 -0.093479 -0.134089 -0.159728 -0.159728 -0.210549 0.159728 0.159728 -0.210549 0.092296 -0.092296 -0.024999 0.560950 0.560950 0.880375 1.060097 -1.060097 -0.744685 -0.560950 -0.560950 0.880375 -0.092296 0.092296 -0.024999 0.000000 0.000000 1.729200 0.000000 0.000000 -0.168439 0.000000 0.000000 -0.204788 0.000000 0.000000 -0.691431 -1.055841 1.055841 -0.753430 -0.273498 -0.273498 -0.092276 -0.222565 0.222565 -0.018523 0.273498 0.273498 -0.092276 0.222565 -0.222565 -0.018523 -0.111771 -0.111771 -0.177218 0.111771 0.111771 -0.177218 0.120813 -0.120813 -0.091105 0.510141 0.510141 0.799325 1.055841 -1.055841 -0.753430 -0.510141 -0.510141 0.799325 -0.120813 0.120813 -0.091105 0.000000 -0.000000 1.733594 0.000000 -0.000000 0.076772 0.000000 -0.000000 -0.185212 0.000000 -0.000000 -0.958702 -1.045638 1.045638 -0.764287 -0.162042 -0.162042 -0.087143 0.010722 -0.010722 -0.228076 0.162042 0.162042 -0.087143 -0.010722 0.010722 -0.228076 0.003937 0.003937 -0.106578 -0.003937 -0.003937 -0.106578 0.117377 -0.117377 -0.215310 0.392681 0.392681 0.615744 1.045638 -1.045638 -0.764287 -0.392681 -0.392681 0.615744 -0.117377 0.117377 -0.215310 -0.000000 0.000000 1.726133 0.000000 0.000000 0.522339 -0.000000 0.000000 -0.157079 0.000000 0.000000 -0.520094 -1.036198 1.036198 -0.776613 0.000090 0.000090 -0.059594 0.222744 -0.222744 -0.418074 -0.000090 -0.000090 -0.059594 -0.222744 0.222744 -0.418074 0.151991 0.151991 -0.025406 -0.151991 -0.151991 -0.025406 0.130687 -0.130687 -0.336319 0.245112 0.245112 0.408773 1.036198 -1.036198 -0.776613 -0.245112 -0.245112 0.408773 -0.130687 0.130687 -0.336319 -0.000000 0.000000 1.727547 -0.000000 0.000000 0.996715 -0.000000 0.000000 -0.126017 -0.000000 0.000000 -0.183782 -1.040995 1.040995 -0.770280 0.075108 0.075108 -0.125310 0.212054 -0.212054 -0.372150 -0.075108 -0.075108 -0.125310 -0.212054 0.212054 -0.372150 0.121888 0.121888 -0.079964 -0.121888 -0.121888 -0.079964 0.049337 -0.049337 -0.288919 0.295078 0.295078 0.470052 1.040995 -1.040995 -0.770280 -0.295078 -0.295078 0.470052 -0.049337 0.049337 -0.288919 0.000000 0.000000 1.733174 0.000000 0.000000 0.733125 0.000000 0.000000 -0.141326 0.000000 0.000000 0.008171 -1.051216 1.051216 -0.754986 0.390102 0.390102 -0.258600 0.115160 -0.115160 -0.295485 -0.390102 -0.390102 -0.258600 -0.115160 0.115160 -0.295485 0.071642 0.071642 -0.164048 -0.071642 -0.071642 -0.164048 -0.170468 0.170468 -0.103907 0.386913 0.386913 0.581961 1.051216 -1.051216 -0.754986 -0.386913 -0.386913 0.581961 0.170468 -0.170468 -0.103907 -0.000000 0.000000 1.724071 -0.000000 0.000000 0.047124 0.000000 0.000000 -0.176547 -0.000000 0.000000 0.395481 -1.055715 1.055715 -0.753697 0.139114 0.139114 -0.321794 -0.253417 0.253417 0.042431 -0.139114 -0.139114 -0.321794 0.253417 -0.253417 0.042431 0.059775 0.059775 -0.153959 -0.059775 -0.059775 -0.153959 -0.210776 0.210776 -0.073213 0.423403 0.423403 0.633869 1.055715 -1.055715 -0.753697 -0.423403 -0.423403 0.633869 0.210776 -0.210776 -0.073213 0.000000 0.000000 1.722706 0.000000 0.000000 -0.195268 0.000000 0.000000 -0.187474 0.000000 0.000000 -0.087238 -1.057047 1.057047 -0.752787 0.070953 0.070953 -0.332944 -0.370181 0.370181 0.148247 -0.070953 -0.070953 -0.332944 0.370181 -0.370181 0.148247 0.056438 0.056438 -0.148123 -0.056438 -0.056438 -0.148123 -0.224100 0.224100 -0.065016 0.433780 0.433780 0.649337 1.057047 -1.057047 -0.752787 -0.433780 -0.433780 0.649337 0.224100 -0.224100 -0.065016 -0.000000 0.000000 1.723408 0.000000 0.000000 -0.268313 -0.000000 -0.000000 -0.190072 0.000000 -0.000000 -0.262449 -1.054756 1.054756 -0.755178 -0.037755 -0.037755 -0.234346 -0.286468 0.286468 -0.000111 0.037755 0.037755 -0.234346 0.286468 -0.286468 -0.000111 0.055209 0.055209 -0.075697 -0.055209 -0.055209 -0.075697 -0.128944 0.128944 -0.175348 0.423834 0.423834 0.641485 1.054756 -1.054756 -0.755178 -0.423834 -0.423834 0.641485 0.128944 -0.128944 -0.175348 -0.000000 0.000000 1.723771 0.000000 0.000000 -0.166100 0.000000 0.000000 -0.198130 0.000000 0.000000 -0.161152 -1.048085 1.048085 -0.765762 -0.255246 -0.255246 0.090225 -0.112005 0.112005 -0.438385 0.255246 0.255246 0.090225 0.112005 -0.112005 -0.438385 0.096920 0.096920 0.182789 -0.096920 -0.096920 0.182789 0.230966 -0.230966 -0.496892 0.394812 0.394812 0.610726 1.048085 -1.048085 -0.765762 -0.394812 -0.394812 0.610726 -0.230966 0.230966 -0.496892 0.000000 -0.000000 1.736254 0.000000 0.000000 0.057593 0.000000 0.000000 -0.226434 0.000000 -0.000000 0.067188 -1.048796 1.048796 -0.772130 -0.210539 -0.210539 0.126992 -0.046238 0.046238 -0.449545 0.210539 0.210539 0.126992 0.046238 -0.046238 -0.449545 -0.048098 -0.048098 0.090031 0.048098 0.048098 0.090031 0.179189 -0.179189 -0.393940 0.373880 0.373880 0.589188 1.048796 -1.048796 -0.772130 -0.373880 -0.373880 0.589188 -0.179189 0.179189 -0.393940 0.000000 -0.000000 1.742417 -0.000000 -0.000000 0.002131 0.000000 -0.000000 -0.236678 -0.000000 -0.000000 0.110938 -1.053013 1.053013 -0.792512 -0.050949 -0.050949 0.256596 0.124384 -0.124384 -0.512776 0.050949 0.050949 0.256596 -0.124384 0.124384 -0.512776 -0.481474 -0.481474 -0.201745 0.481474 0.481474 -0.201745 0.051638 -0.051638 -0.073471 0.316490 0.316490 0.514477 1.053013 -1.053013 -0.792512 -0.316490 -0.316490 0.514477 -0.051638 0.051638 -0.073471 -0.000000 -0.000000 1.753326 -0.000000 -0.000000 -0.154935 -0.000000 -0.000000 -0.276523 -0.000000 -0.000000 0.296997 -1.056947 1.056947 -0.806736 -0.047297 -0.047297 0.154877 0.010785 -0.010785 -0.256422 0.047297 0.047297 0.154877 -0.010785 0.010785 -0.256422 -0.231215 -0.231215 -0.061843 0.231215 0.231215 -0.061843 0.049989 -0.049989 -0.016785 0.263773 0.263773 0.430799 1.056947 -1.056947 -0.806736 -0.263773 -0.263773 0.430799 -0.049989 0.049989 -0.016785 -0.000000 0.000000 1.760616 0.000000 0.000000 -0.107481 -0.000000 0.000000 -0.280280 0.000000 0.000000 -0.260636 -1.060062 1.060062 -0.819324 -0.050884 -0.050884 0.062759 -0.147620 0.147620 0.040120 0.050884 0.050884 0.062759 0.147620 -0.147620 0.040120 0.013599 0.013599 0.051515 -0.013599 -0.013599 0.051515 0.049332 -0.049332 0.050749 0.214879 0.214879 0.336778 1.060062 -1.060062 -0.819324 -0.214879 -0.214879 0.336778 -0.049332 0.049332 0.050749 -0.000000 0.000000 1.761804 0.000000 -0.000000 -0.075173 -0.000000 0.000000 -0.299403 0.000000 0.000000 -0.832420 -1.059720 1.059720 -0.825686 0.026266 0.026266 -0.007612 0.037041 -0.037041 -0.047575 -0.026266 -0.026266 -0.007612 -0.037041 0.037041 -0.047575 0.113534 0.113534 0.060092 -0.113534 -0.113534 0.060092 0.019991 -0.019991 0.105204 0.163386 0.163386 0.250046 1.059720 -1.059720 -0.825686 -0.163386 -0.163386 0.250046 -0.019991 0.019991 0.105204 -0.000000 0.000000 1.759141 0.000000 0.000000 -0.015360 -0.000000 0.000000 -0.318085 0.000000 0.000000 -0.494635 -1.058954 1.058954 -0.829427 0.074260 0.074260 -0.057014 0.150374 -0.150374 -0.088021 -0.074260 -0.074260 -0.057014 -0.150374 0.150374 -0.088021 0.209669 0.209669 0.060820 -0.209669 -0.209669 0.060820 -0.005906 0.005906 0.151293 0.125823 0.125823 0.183212 1.058954 -1.058954 -0.829427 -0.125823 -0.125823 0.183212 0.005906 -0.005906 0.151293 0.000000 -0.000000 1.759871 -0.000000 -0.000000 0.018871 -0.000000 0.000000 -0.333051 0.000000 -0.000000 -0.287420 -1.057863 1.057863 -0.830950 0.033908 0.033908 -0.129357 0.094376 -0.094376 -0.007950 -0.033908 -0.033908 -0.129357 -0.094376 0.094376 -0.007950 -0.059990 -0.059990 -0.065453 0.059990 0.059990 -0.065453 -0.021727 0.021727 0.161587 0.111396 0.111396 0.164306 1.057863 -1.057863 -0.830950 -0.111396 -0.111396 0.164306 0.021727 -0.021727 0.161587 -0.000000 -0.000000 1.765150 0.000000 -0.000000 0.051619 0.000000 -0.000000 -0.337621 -0.000000 -0.000000 -0.063517 -1.057082 1.057082 -0.832134 0.025333 0.025333 -0.146557 0.082206 -0.082206 0.015445 -0.025333 -0.025333 -0.146557 -0.082206 0.082206 0.015445 -0.126472 -0.126472 -0.095377 0.126472 0.126472 -0.095377 -0.025947 0.025947 0.163566 0.108109 0.108109 0.158779 1.057082 -1.057082 -0.832134 -0.108109 -0.108109 0.158779 0.025947 -0.025947 0.163566 0.000000 -0.000000 1.765441 0.000000 -0.000000 0.057638 0.000000 -0.000000 -0.339783 0.000000 -0.000000 -0.010741 -1.056075 1.056075 -0.829619 -0.010451 -0.010451 -0.160905 0.034180 -0.034180 0.049398 0.010451 0.010451 -0.160905 -0.034180 0.034180 0.049398 -0.048222 -0.048222 -0.002156 0.048222 0.048222 -0.002156 0.065121 -0.065121 0.027378 0.123028 0.123028 0.182710 1.056075 -1.056075 -0.829619 -0.123028 -0.123028 0.182710 -0.065121 0.065121 0.027378 0.000000 -0.000000 1.768108 0.000000 -0.000000 0.056162 0.000000 0.000000 -0.335295 0.000000 0.000000 -0.022588 -1.055370 1.055370 -0.828257 -0.042705 -0.042705 -0.167398 -0.006703 0.006703 0.069587 0.042705 0.042705 -0.167398 0.006703 -0.006703 0.069587 0.016438 0.016438 0.077036 -0.016438 -0.016438 0.077036 0.138079 -0.138079 -0.078288 0.134722 0.134722 0.200581 1.055370 -1.055370 -0.828257 -0.134722 -0.134722 0.200581 -0.138079 0.138079 -0.078288 -0.000000 0.000000 1.768963 -0.000000 0.000000 0.054378 -0.000000 0.000000 -0.332541 -0.000000 0.000000 -0.037319 -1.055585 1.055585 -0.824922 -0.053897 -0.053897 -0.111210 -0.001612 0.001612 0.006772 0.053897 0.053897 -0.111210 0.001612 -0.001612 0.006772 0.009174 0.009174 0.074296 -0.009174 -0.009174 0.074296 0.036974 -0.036974 -0.055490 0.148696 0.148696 0.228557 1.055585 -1.055585 -0.824922 -0.148696 -0.148696 0.228557 -0.036974 0.036974 -0.055490 0.000000 0.000000 1.769932 -0.000000 0.000000 -0.077687 0.000000 -0.000000 -0.336274 0.000000 -0.000000 0.008022 -1.055590 1.055590 -0.822844 -0.062637 -0.062637 -0.068080 -0.000788 0.000788 -0.040847 0.062637 0.062637 -0.068080 0.000788 -0.000788 -0.040847 0.005494 0.005494 0.073903 -0.005494 -0.005494 0.073903 -0.029969 0.029969 -0.039230 0.158559 0.158559 0.247369 1.055590 -1.055590 -0.822844 -0.158559 -0.158559 0.247369 0.029969 -0.029969 -0.039230 -0.000000 0.000000 1.768588 -0.000000 0.000000 -0.179096 -0.000000 -0.000000 -0.339344 -0.000000 -0.000000 0.049308 -1.053481 1.053481 -0.826916 -0.046346 -0.046346 -0.022426 0.006019 -0.006019 -0.049252 0.046346 0.046346 -0.022426 -0.006019 0.006019 -0.049252 -0.020638 -0.020638 0.026288 0.020638 0.020638 0.026288 -0.033728 0.033728 -0.026537 0.108443 0.108443 0.185968 1.053481 -1.053481 -0.826916 -0.108443 -0.108443 0.185968 0.033728 -0.033728 -0.026537 -0.000000 0.000000 1.769672 -0.000000 0.000000 -0.020570 0.000000 0.000000 -0.328051 -0.000000 0.000000 0.004700 -1.052035 1.052035 -0.829759 -0.034625 -0.034625 0.008603 0.011783 -0.011783 -0.055065 0.034625 0.034625 0.008603 -0.011783 0.011783 -0.055065 -0.039715 -0.039715 -0.003591 0.039715 0.039715 -0.003591 -0.035907 0.035907 -0.018952 0.071269 0.071269 0.141652 1.052035 -1.052035 -0.829759 -0.071269 -0.071269 0.141652 0.035907 -0.035907 -0.018952 0.000000 -0.000000 1.768916 -0.000000 0.000000 0.095229 0.000000 -0.000000 -0.318986 0.000000 0.000000 -0.030937 -1.052730 1.052730 -0.829556 -0.020386 -0.020386 0.013188 0.016062 -0.016062 -0.028530 0.020386 0.020386 0.013188 -0.016062 0.016062 -0.028530 0.024692 0.024692 0.004766 -0.024692 -0.024692 0.004766 -0.004982 0.004982 -0.030318 0.086314 0.086314 0.155656 1.052730 -1.052730 -0.829556 -0.086314 -0.086314 0.155656 0.004982 -0.004982 -0.030318 0.000000 -0.000000 1.767754 0.000000 -0.000000 0.067592 0.000000 -0.000000 -0.325488 -0.000000 -0.000000 -0.080270 -1.053303 1.053303 -0.828160 -0.007726 -0.007726 0.012757 0.018025 -0.018025 -0.008391 0.007726 0.007726 0.012757 -0.018025 0.018025 -0.008391 0.076156 0.076156 0.012537 -0.076156 -0.076156 0.012537 0.020512 -0.020512 -0.039967 0.097912 0.097912 0.167401 1.053303 -1.053303 -0.828160 -0.097912 -0.097912 0.167401 -0.020512 0.020512 -0.039967 0.000000 -0.000000 1.768741 0.000000 -0.000000 0.047445 0.000000 -0.000000 -0.329648 0.000000 -0.000000 -0.118891 -1.054206 1.054206 -0.826773 0.004699 0.004699 0.008465 0.019587 -0.019587 0.005666 -0.004699 -0.004699 0.008465 -0.019587 0.019587 0.005666 0.035257 0.035257 -0.015602 -0.035257 -0.035257 -0.015602 0.011298 -0.011298 -0.016609 0.113659 0.113659 0.184345 1.054206 -1.054206 -0.826773 -0.113659 -0.113659 0.184345 -0.011298 0.011298 -0.016609 0.000000 -0.000000 1.769208 0.000000 0.000000 -0.010150 -0.000000 0.000000 -0.337851 0.000000 0.000000 -0.100194 -1.054553 1.054553 -0.826008 0.010472 0.010472 0.005868 0.020323 -0.020323 0.012471 -0.010472 -0.010472 0.005868 -0.020323 0.020323 0.012471 0.013533 0.013533 -0.029491 -0.013533 -0.013533 -0.029491 0.005506 -0.005506 -0.004698 0.122318 0.122318 0.193671 1.054553 -1.054553 -0.826008 -0.122318 -0.122318 0.193671 -0.005506 0.005506 -0.004698 -0.000000 0.000000 1.768949 -0.000000 -0.000000 -0.043930 -0.000000 -0.000000 -0.341787 -0.000000 0.000000 -0.086858 -1.055504 1.055504 -0.824353 0.024249 0.024249 0.000149 0.019567 -0.019567 0.027624 -0.024249 -0.024249 0.000149 -0.019567 0.019567 0.027624 -0.031249 -0.031249 -0.058967 0.031249 0.031249 -0.058967 -0.005449 0.005449 0.021847 0.139500 0.139500 0.212291 1.055504 -1.055504 -0.824353 -0.139500 -0.139500 0.212291 0.005449 -0.005449 0.021847 0.000000 -0.000000 1.768812 0.000000 -0.000000 -0.106795 0.000000 -0.000000 -0.350719 0.000000 -0.000000 -0.068481 -1.054754 1.054754 -0.825497 0.013439 0.013439 0.002522 0.020145 -0.020145 0.018089 -0.013439 -0.013439 0.002522 -0.020145 0.020145 0.018089 0.000247 0.000247 -0.039120 -0.000247 -0.000247 -0.039120 0.002081 -0.002081 0.004635 0.127497 0.127497 0.199129 1.054754 -1.054754 -0.825497 -0.127497 -0.127497 0.199129 -0.002081 0.002081 0.004635 0.000000 0.000000 1.768616 0.000000 0.000000 -0.061095 0.000000 -0.000000 -0.344254 0.000000 -0.000000 -0.082783 -1.054298 1.054298 -0.825615 0.011711 0.011711 -0.002395 0.020508 -0.020508 0.008478 -0.011711 -0.011711 -0.002395 -0.020508 0.020508 0.008478 -0.010196 -0.010196 -0.035550 0.010196 0.010196 -0.035550 0.006745 -0.006745 0.000090 0.120539 0.120539 0.190021 1.054298 -1.054298 -0.825615 -0.120539 -0.120539 0.190021 -0.006745 0.006745 0.000090 0.000000 0.000000 1.768493 0.000000 0.000000 -0.040633 -0.000000 0.000000 -0.343780 0.000000 0.000000 -0.054136 -1.053285 1.053285 -0.826849 0.008061 0.008061 -0.010706 0.022820 -0.022820 -0.010717 -0.008061 -0.008061 -0.010706 -0.022820 0.022820 -0.010717 -0.030358 -0.030358 -0.030501 0.030358 0.030358 -0.030501 0.015476 -0.015476 -0.007420 0.107789 0.107789 0.172110 1.053285 -1.053285 -0.826849 -0.107789 -0.107789 0.172110 -0.015476 0.015476 -0.007420 -0.000000 0.000000 1.766633 -0.000000 0.000000 -0.002102 -0.000000 0.000000 -0.344027 -0.000000 0.000000 0.007662 -1.052692 1.052692 -0.826714 0.006445 0.006445 -0.014255 0.022768 -0.022768 -0.018493 -0.006445 -0.006445 -0.014255 -0.022768 0.022768 -0.018493 -0.039304 -0.039304 -0.027369 0.039304 0.039304 -0.027369 0.019254 -0.019254 -0.010154 0.102137 0.102137 0.164839 1.052692 -1.052692 -0.826714 -0.102137 -0.102137 0.164839 -0.019254 0.019254 -0.010154 0.000000 -0.000000 1.766000 0.000000 -0.000000 0.013401 -0.000000 -0.000000 -0.343415 0.000000 -0.000000 0.028305 -1.052452 1.052452 -0.827644 -0.005402 -0.005402 -0.022684 0.003089 -0.003089 -0.008000 0.005402 0.005402 -0.022684 -0.003089 0.003089 -0.008000 0.004025 0.004025 -0.006340 -0.004025 -0.004025 -0.006340 0.014155 -0.014155 -0.014762 0.096508 0.096508 0.156282 1.052452 -1.052452 -0.827644 -0.096508 -0.096508 0.156282 -0.014155 0.014155 -0.014762 0.000000 -0.000000 1.765213 0.000000 -0.000000 0.015137 0.000000 -0.000000 -0.344686 0.000000 -0.000000 0.010633</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">-66.15464611</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-66.14940201</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-66.15202406</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.5005</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.6311725E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">4.295075135</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">4.295075135</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.02283"
                        xFract="0.47096499"
                        y3="4.17037"
                        yFract="0.97096555"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.03685"
                        xFract="0.93987879"
                        y3="4.03685"
                        yFract="0.93987879"
                        z3="11.9212"
                        zFract="0.41376596"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="-0.07225"
                        xFract="-0.01682159"
                        y3="1.97038"
                        yFract="0.45875333"
                        z3="10.66142"
                        zFract="0.37004099"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="2.15636"
                        xFract="0.50205408"
                        y3="2.15636"
                        yFract="0.50205408"
                        z3="11.9212"
                        zFract="0.41376596"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="1.97038"
                        xFract="0.45875333"
                        y3="-0.07225"
                        yFract="-0.01682159"
                        z3="10.66142"
                        zFract="0.37004099"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="3.94514"
                        xFract="0.91852642"
                        y3="3.94514"
                        yFract="0.91852642"
                        z3="8.8576"
                        zFract="0.30743326"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="2.24806"
                        xFract="0.52340412"
                        y3="2.24806"
                        yFract="0.52340412"
                        z3="8.8576"
                        zFract="0.30743326"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="3.98273"
                        xFract="0.92727831"
                        y3="2.21047"
                        yFract="0.51465223"
                        z3="7.12282"
                        zFract="0.24722179"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="4.17037"
                        xFract="0.97096555"
                        y3="4.17037"
                        yFract="0.97096555"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="4.17037"
                        xFract="0.97096555"
                        y3="2.02283"
                        yFract="0.47096499"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.02283"
                        xFract="0.47096499"
                        y3="2.02283"
                        yFract="0.47096499"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="2.21047"
                        xFract="0.51465223"
                        y3="3.98273"
                        yFract="0.92727831"
                        z3="7.12282"
                        zFract="0.24722179"/>
                  <atom elementType="O"
                        id="a13"
                        x3="0.94906"
                        xFract="0.2209647"
                        y3="0.94906"
                        yFract="0.2209647"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a14"
                        x3="0.94906"
                        xFract="0.2209647"
                        y3="0.94906"
                        yFract="0.2209647"
                        z3="6.30597"
                        zFract="0.21887023"/>
                  <atom elementType="O"
                        id="a15"
                        x3="3.0966"
                        xFract="0.72096527"
                        y3="3.0966"
                        yFract="0.72096527"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="O"
                        id="a16"
                        x3="0.94906"
                        xFract="0.2209647"
                        y3="0.94906"
                        yFract="0.2209647"
                        z3="9.33095"
                        zFract="0.32386249"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a3 a16" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a5 a16" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a12" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
               </bondArray>
               <formula concise="Cu12O4">
                  <atomArray count="12 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">826.5496000000003</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/12Cu.4O">
                  <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/rA:16CuCuCuCuCuCuCuCuCuCuCuCuO0O1O4O3/rB:;;s2s3;s4;;s6;s6s7;;;;s6s7s8;;s11;s1s9s10s11;s3s5s7;/rC:;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
