ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:15:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 1.13 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun12-2024 06:15:01 Nodes: 1 Procs: 1 Jun12-2024 06:15:02 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:15:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.04 1.78 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun12-2024 06:15:01 Nodes: 1 Procs: 1 Jun12-2024 06:15:02 Nodes: 1 Procs: 1 0 Jun12-2024 06:15:05 Nodes: 1 Procs: 1 Jun12-2024 06:15:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:15:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.08 0.04 2.60 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun12-2024 06:15:01 Nodes: 1 Procs: 1 Jun12-2024 06:15:02 Nodes: 1 Procs: 1 0 Jun12-2024 06:15:05 Nodes: 1 Procs: 1 Jun12-2024 06:15:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 06:15:09 Nodes: 1 Procs: 1 Jun12-2024 06:15:10 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:15:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.04 1.04 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun12-2024 06:15:01 Nodes: 1 Procs: 1 Jun12-2024 06:15:02 Nodes: 1 Procs: 1 0 Jun12-2024 06:15:05 Nodes: 1 Procs: 1 Jun12-2024 06:15:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 06:15:09 Nodes: 1 Procs: 1 Jun12-2024 06:15:10 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 06:15:14 Nodes: 1 Procs: 1 Jun12-2024 06:15:15 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:15:17 Hydrogen (TZP) c10-52 c10-52 c10-52 c10-52 c10-52 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.30 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun12-2024 06:15:01 Nodes: 1 Procs: 1 Jun12-2024 06:15:02 Nodes: 1 Procs: 1 0 Jun12-2024 06:15:05 Nodes: 1 Procs: 1 Jun12-2024 06:15:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 06:15:09 Nodes: 1 Procs: 1 Jun12-2024 06:15:10 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 06:15:14 Nodes: 1 Procs: 1 Jun12-2024 06:15:15 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 06:15:17 Nodes: 1 Procs: 1 Jun12-2024 06:15:19 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 06:15:23 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2305.6775999999995 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019.304 Jun12-2024 06:15:10 1 1 Molybdenum TZP 3d t21.W ADF 2019.304 Jun12-2024 06:15:19 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun12-2024 06:15:15 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun12-2024 06:15:06 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun12-2024 06:15:02 1 1 Hydrogen TZP 1 1 -15.77702167 0.22832493 0.00100000 F 0.10036897 0.00066667 F 0.22832493 0.10036897 0.12877186 0.01000000 F 0.04433514 0.00666667 F Cartesian 2305.6775999999995 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3.750595 3.756356 0.223061 -3.798895 3.854079 -0.265897 -3.733366 -3.726538 0.219910 -3.708665 0.216479 -3.757016 -3.803382 -0.134232 3.742261 3.748459 0.218874 3.778807 3.774359 -0.261818 -3.696112 0.010656 0.001134 -0.030927 -4.514649 3.724508 -0.929353 3.935973 -4.631472 0.184784 1 3 -3 0.044554 -2.500825 2.613640 Rho 0.1240647E+06 3,-3 2 3 -3 -0.070496 -2.597899 -2.533317 Rho 0.1240647E+06 3,-3 3 3 -3 0.190493 2.557814 -2.606295 Rho 0.1240647E+06 3,-3 4 3 -3 2.577360 2.554371 -0.080472 Rho 0.1240647E+06 3,-3 5 3 -3 -2.503968 2.554444 0.023159 Rho 0.1240648E+06 3,-3 6 3 -3 -2.544210 -2.538831 -0.081485 Rho 0.1240647E+06 3,-3 7 3 -3 -2.492084 -0.179881 -2.626096 Rho 0.1240647E+06 3,-3 8 3 -3 -0.115566 2.560344 2.548511 Rho 0.4361414E+07 3,-3 9 3 -3 2.533222 -2.526504 0.173379 Rho 0.4361413E+07 3,-3 10 3 -3 -2.610848 0.180827 2.547307 Rho 0.4361414E+07 3,-3 11 3 -3 2.554408 -0.086148 2.583967 Rho 0.4361414E+07 3,-3 12 3 -3 2.560392 0.097662 -2.535511 Rho 0.4361413E+07 3,-3 13 3 -3 0.997152 -0.975686 0.961641 Rho 0.3190213E+03 3,-3 14 3 -3 -0.962597 -0.988119 -0.989272 Rho 0.3190409E+03 3,-3 15 3 -3 1.001871 0.979040 -0.988917 Rho 0.3190306E+03 3,-3 16 3 -3 -0.975592 0.987098 0.946098 Rho 0.3190384E+03 3,-3 17 3 -3 -2.982667 -1.150549 1.183310 Rho 0.3189554E+03 3,-3 18 3 -3 2.977288 -1.160275 -1.098179 Rho 0.3189305E+03 3,-3 19 3 -3 -2.975135 1.181307 -1.081693 Rho 0.3191649E+03 3,-3 20 3 -3 3.023783 1.163742 1.171500 Rho 0.3189589E+03 3,-3 21 3 -3 1.154480 -1.145235 -2.976029 Rho 0.3189535E+03 3,-3 22 3 -3 1.165509 1.165244 2.997627 Rho 0.3188833E+03 3,-3 23 3 -3 -1.145453 1.172092 -2.936145 Rho 0.3190133E+03 3,-3 24 3 -3 -1.184089 -1.155423 3.025163 Rho 0.3190045E+03 3,-3 25 3 -3 -1.142232 3.045891 -1.122878 Rho 0.3191063E+03 3,-3 26 3 -3 -1.117607 -3.002538 1.142673 Rho 0.3190275E+03 3,-3 27 3 -3 1.145646 2.999561 1.150717 Rho 0.3189531E+03 3,-3 28 3 -3 1.183205 -3.000970 -1.111886 Rho 0.3189773E+03 3,-3 29 3 -3 3.417316 -1.489286 1.510889 Rho 0.3190164E+03 3,-3 30 3 -3 -3.388073 -1.483476 -1.517501 Rho 0.3191503E+03 3,-3 31 3 -3 3.409422 1.517084 -1.524959 Rho 0.3190768E+03 3,-3 32 3 -3 -3.409868 1.540230 1.521940 Rho 0.3190857E+03 3,-3 33 3 -3 1.525578 -1.508366 3.408206 Rho 0.3190596E+03 3,-3 34 3 -3 1.546370 1.505439 -3.454920 Rho 0.3190849E+03 3,-3 35 3 -3 -1.488470 1.493065 3.419802 Rho 0.3189896E+03 3,-3 36 3 -3 -1.496176 -1.533427 -3.471527 Rho 0.3191632E+03 3,-3 37 3 -3 -1.511434 -3.396657 -1.541623 Rho 0.3191544E+03 3,-3 38 3 -3 -1.534342 3.373190 1.502062 Rho 0.3190978E+03 3,-3 39 3 -3 1.553339 -3.374510 1.488445 Rho 0.3191147E+03 3,-3 40 3 -3 1.518842 3.413900 -1.532120 Rho 0.3191522E+03 3,-3 41 3 -3 -0.230960 -3.726171 3.768164 Rho 0.3196071E+03 3,-3 42 3 -3 0.279381 -3.786363 -3.705752 Rho 0.3196121E+03 3,-3 43 3 -3 -0.179725 3.747672 -3.772035 Rho 0.3196098E+03 3,-3 44 3 -3 0.180574 3.773788 3.726669 Rho 0.3194567E+03 3,-3 45 3 -3 3.860322 -3.745835 -0.235473 Rho 0.3187048E+03 3,-3 46 3 -3 3.750595 3.756356 0.223061 Rho 0.3196007E+03 3,-3 47 3 -3 -3.798895 3.854079 -0.265897 Rho 0.3188143E+03 3,-3 48 3 -3 -3.733366 -3.726538 0.219910 Rho 0.3196012E+03 3,-3 49 3 -3 -3.708665 0.216479 -3.757016 Rho 0.3196072E+03 3,-3 50 3 -3 -3.803382 -0.134232 3.742261 Rho 0.3194532E+03 3,-3 51 3 -3 3.748459 0.218874 3.778807 Rho 0.3194565E+03 3,-3 52 3 -3 3.774359 -0.261818 -3.696112 Rho 0.3194570E+03 3,-3 53 3 -3 0.010656 0.001134 -0.030927 Rho 0.4276080E+05 3,-3 54 3 -3 -4.514649 3.724508 -0.929353 Rho 0.4425445E+00 3,-3 55 3 -3 3.935973 -4.631472 0.184784 Rho 0.4389907E+00 3,-3 56 3 +1 -0.490752 1.691599 -0.578763 Rho 0.8495444E-02 |GRAD(Rho)| 0.1956297E-16 GRAD(Rho)x -0.1771773E-16 GRAD(Rho)y 0.1866973E-17 GRAD(Rho)z -0.8081244E-17 Laplacian 0.3331682E-01 (-1/4)Del**2(Rho)) -0.8329205E-02 Diamond 0.8989232E-03 Metallicity 0.7315765E+00 Ellipticity -0.1461967E+01 Gb(Abramov) 0.6568379E-02 Vb(Abramov) -0.4807552E-02 Hb(Abramov) 0.1760827E-02 Ex_ueg -0.1280265E-02 Ec_ueg -0.3003044E-03 Delta_ex -0.1527443E-02 Delta_ec 0.4868617E-03 Delta_et -0.3302513E-02 Pxc 0.4263223E+01 Qxc -0.3137325E+01 3,+1 57 3 +1 -0.506335 -1.664821 0.523317 Rho 0.8872265E-02 |GRAD(Rho)| 0.1347495E-16 GRAD(Rho)x 0.8816763E-17 GRAD(Rho)y 0.6872309E-17 GRAD(Rho)z 0.7523979E-17 Laplacian 0.3435521E-01 (-1/4)Del**2(Rho)) -0.8588802E-02 Diamond 0.9651455E-03 Metallicity 0.7626842E+00 Ellipticity -0.1474784E+01 Gb(Abramov) 0.6817625E-02 Vb(Abramov) -0.5046449E-02 Hb(Abramov) 0.1771177E-02 Ex_ueg -0.1356535E-02 Ec_ueg -0.3171784E-03 Delta_ex -0.1584459E-02 Delta_ec 0.4879496E-03 Delta_et -0.3358289E-02 Pxc 0.4276884E+01 Qxc -0.3247178E+01 3,+1 58 3 -1 1.741853 0.528790 -1.723777 Rho 0.5030132E-01 |GRAD(Rho)| 0.1106667E-15 GRAD(Rho)x 0.5272950E-16 GRAD(Rho)y -0.2580189E-16 GRAD(Rho)z -0.9381356E-16 Laplacian 0.2059964E+00 (-1/4)Del**2(Rho)) -0.5149910E-01 Diamond 0.1043079E+00 Metallicity 0.2292904E+01 Ellipticity 0.1986759E-01 Gb(Abramov) 0.5401315E-01 Vb(Abramov) -0.5652720E-01 Hb(Abramov) -0.2514050E-02 Ex_ueg -0.1371379E-01 Ec_ueg -0.2431537E-02 Delta_ex -0.1694012E-01 Delta_ec 0.6063266E-02 Delta_et -0.6401473E-01 Pxc 0.5639970E+01 Qxc -0.2793893E+01 3,-1 59 3 +1 -1.656067 -0.536297 0.522966 Rho 0.8672660E-02 |GRAD(Rho)| 0.7584756E-17 GRAD(Rho)x 0.3552675E-17 GRAD(Rho)y 0.6221669E-17 GRAD(Rho)z 0.2489552E-17 Laplacian 0.3360187E-01 (-1/4)Del**2(Rho)) -0.8400468E-02 Diamond 0.9226103E-03 Metallicity 0.7507642E+00 Ellipticity -0.1474070E+01 Gb(Abramov) 0.6651440E-02 Vb(Abramov) -0.4902413E-02 Hb(Abramov) 0.1749028E-02 Ex_ueg -0.1315997E-02 Ec_ueg -0.3082323E-03 Delta_ex -0.1544135E-02 Delta_ec 0.4831827E-03 Delta_et -0.3301296E-02 Pxc 0.4269497E+01 Qxc -0.3195759E+01 3,+1 60 3 -1 -1.710082 1.745169 0.478389 Rho 0.4647615E-01 |GRAD(Rho)| 0.4526203E-16 GRAD(Rho)x -0.1453170E-16 GRAD(Rho)y 0.1433603E-17 GRAD(Rho)z -0.4284187E-16 Laplacian 0.1899944E+00 (-1/4)Del**2(Rho)) -0.4749860E-01 Diamond 0.8612503E-01 Metallicity 0.2178993E+01 Ellipticity 0.2830299E-01 Gb(Abramov) 0.4891559E-01 Vb(Abramov) -0.5033258E-01 Hb(Abramov) -0.1416988E-02 Ex_ueg -0.1234123E-01 Ec_ueg -0.2221034E-02 Delta_ex -0.1530324E-01 Delta_ec 0.5572596E-02 Delta_et -0.5762441E-01 Pxc 0.5556525E+01 Qxc -0.2746160E+01 3,-1 61 3 +1 -2.887908 -0.204868 -0.193924 Rho 0.5095400E-02 |GRAD(Rho)| 0.4289884E-17 GRAD(Rho)x 0.7496742E-18 GRAD(Rho)y 0.4147770E-17 GRAD(Rho)z -0.7981801E-18 Laplacian 0.2156996E-01 (-1/4)Del**2(Rho)) -0.5392489E-02 Diamond 0.4511377E-03 Metallicity 0.4820156E+00 Ellipticity -0.1776023E+01 Gb(Abramov) 0.4028203E-02 Vb(Abramov) -0.2663918E-02 Hb(Abramov) 0.1364286E-02 Ex_ueg -0.6475741E-03 Ec_ueg -0.1510206E-03 Delta_ex -0.1017668E-02 Delta_ec 0.5744329E-03 Delta_et -0.3179683E-02 Pxc 0.4287986E+01 Qxc -0.1771605E+01 3,+1 62 3 +1 -1.082692 -1.374119 -2.202178 Rho 0.2623081E-01 |GRAD(Rho)| 0.5433545E-14 GRAD(Rho)x 0.2557793E-14 GRAD(Rho)y -0.4103807E-14 GRAD(Rho)z -0.2477878E-14 Laplacian 0.1039092E+00 (-1/4)Del**2(Rho)) -0.2597729E-01 Diamond 0.1457637E-01 Metallicity 0.1535721E+01 Ellipticity -0.3753998E+01 Gb(Abramov) 0.2396717E-01 Vb(Abramov) -0.2195705E-01 Hb(Abramov) 0.2010121E-02 Ex_ueg -0.5756176E-02 Ec_ueg -0.1150881E-02 Delta_ex -0.6551962E-02 Delta_ec 0.1773533E-02 Delta_et -0.1583767E-01 Pxc 0.5001538E+01 Qxc -0.3694300E+01 3,+1 63 3 -1 -3.257198 0.010414 3.195033 Rho 0.2575258E+00 |GRAD(Rho)| 0.1549037E-14 GRAD(Rho)x -0.1501512E-14 GRAD(Rho)y 0.3626927E-15 GRAD(Rho)z 0.1159012E-15 Laplacian 0.9288445E+00 (-1/4)Del**2(Rho)) -0.2322111E+00 Diamond 0.3567996E+01 Metallicity 0.7733416E+01 Ellipticity 0.1291698E-02 Gb(Abramov) 0.4541049E+00 Vb(Abramov) -0.6759988E+00 Hb(Abramov) -0.2218938E+00 Ex_ueg -0.1210076E+00 Ec_ueg -0.1565903E-01 Delta_ex -0.1142779E+00 Delta_ec 0.2001798E-01 Delta_et -0.2774247E+00 Pxc 0.7727659E+01 Qxc -0.5708763E+01 3,-1 64 3 +3 -1.088998 1.144629 -1.100284 Rho 0.5325833E-02 |GRAD(Rho)| 0.1007144E-16 GRAD(Rho)x -0.4540942E-17 GRAD(Rho)y -0.3314091E-17 GRAD(Rho)z -0.8356468E-17 Laplacian 0.2088469E-01 (-1/4)Del**2(Rho)) -0.5221172E-02 Diamond 0.1627511E-03 Metallicity 0.5359173E+00 Ellipticity -0.3998815E+00 Gb(Abramov) 0.3947134E-02 Vb(Abramov) -0.2673096E-02 Hb(Abramov) 0.1274038E-02 Ex_ueg -0.6869131E-03 Ec_ueg -0.1609616E-03 Delta_ex -0.7375148E-03 Delta_ec 0.9767278E-04 Delta_et -0.7652963E-03 Pxc 0.4267560E+01 Qxc -0.7550873E+01 3,+3 65 3 +1 2.173255 -1.044462 1.395638 Rho 0.2956612E-01 |GRAD(Rho)| 0.5631202E-16 GRAD(Rho)x -0.5453871E-16 GRAD(Rho)y 0.1291905E-16 GRAD(Rho)z -0.5447105E-17 Laplacian 0.1176374E+00 (-1/4)Del**2(Rho)) -0.2940935E-01 Diamond 0.1781993E-01 Metallicity 0.1655992E+01 Ellipticity -0.2960493E+01 Gb(Abramov) 0.2772318E-01 Vb(Abramov) -0.2603700E-01 Hb(Abramov) 0.1686173E-02 Ex_ueg -0.6752183E-02 Ec_ueg -0.1321249E-02 Delta_ex -0.7517572E-02 Delta_ec 0.1753504E-02 Delta_et -0.1614210E-01 Pxc 0.5110455E+01 Qxc -0.4287171E+01 3,+1 66 3 +3 -1.088589 -1.084130 1.129797 Rho 0.5050559E-02 |GRAD(Rho)| 0.3942787E-17 GRAD(Rho)x 0.6710867E-18 GRAD(Rho)y 0.7376135E-19 GRAD(Rho)z 0.3884556E-17 Laplacian 0.1946923E-01 (-1/4)Del**2(Rho)) -0.4867307E-02 Diamond 0.1390056E-03 Metallicity 0.5262153E+00 Ellipticity -0.7599967E-01 Gb(Abramov) 0.3671747E-02 Vb(Abramov) -0.2476186E-02 Hb(Abramov) 0.1195561E-02 Ex_ueg -0.6399868E-03 Ec_ueg -0.1490892E-03 Delta_ex -0.6755918E-03 Delta_ec 0.8765868E-04 Delta_et -0.6896873E-03 Pxc 0.4292643E+01 Qxc -0.7707073E+01 3,+3 67 3 -1 -3.180942 -3.175011 0.078833 Rho 0.2460478E+00 |GRAD(Rho)| 0.1085413E-14 GRAD(Rho)x 0.8060501E-15 GRAD(Rho)y 0.7065203E-15 GRAD(Rho)z -0.1709787E-15 Laplacian 0.8768522E+00 (-1/4)Del**2(Rho)) -0.2192130E+00 Diamond 0.3211518E+01 Metallicity 0.7592520E+01 Ellipticity 0.7843569E-03 Gb(Abramov) 0.4235386E+00 Vb(Abramov) -0.6278642E+00 Hb(Abramov) -0.2043256E+00 Ex_ueg -0.1138705E+00 Ec_ueg -0.1485818E-01 Delta_ex -0.1067160E+00 Delta_ec 0.1937453E-01 Delta_et -0.2692475E+00 Pxc 0.7663821E+01 Qxc -0.5508054E+01 3,-1 68 3 -1 -1.976314 2.960230 0.806483 Rho 0.1332307E+00 |GRAD(Rho)| 0.5398697E-15 GRAD(Rho)x -0.3094042E-15 GRAD(Rho)y 0.4039737E-15 GRAD(Rho)z 0.1803706E-15 Laplacian 0.5175313E+00 (-1/4)Del**2(Rho)) -0.1293828E+00 Diamond 0.8979874E+00 Metallicity 0.4627544E+01 Ellipticity 0.2488086E-01 Gb(Abramov) 0.1860427E+00 Vb(Abramov) -0.2427025E+00 Hb(Abramov) -0.5665984E-01 Ex_ueg -0.5025635E-01 Ec_ueg -0.7378844E-02 Delta_ex -0.5385908E-01 Delta_ec 0.1327565E-01 Delta_et -0.1731645E+00 Pxc 0.6810870E+01 Qxc -0.4056983E+01 3,-1 69 3 -1 -3.022201 0.906923 1.989863 Rho 0.1667482E+00 |GRAD(Rho)| 0.3294861E-11 GRAD(Rho)x 0.1310142E-11 GRAD(Rho)y -0.2384340E-11 GRAD(Rho)z 0.1858645E-11 Laplacian 0.6604852E+00 (-1/4)Del**2(Rho)) -0.1651213E+00 Diamond 0.1521303E+01 Metallicity 0.5270502E+01 Ellipticity 0.6874609E-01 Gb(Abramov) 0.2551262E+00 Vb(Abramov) -0.3451311E+00 Hb(Abramov) -0.9000491E-01 Ex_ueg -0.6778494E-01 Ec_ueg -0.9524123E-02 Delta_ex -0.7282490E-01 Delta_ec 0.1633763E-01 Delta_et -0.2205506E+00 Pxc 0.7117185E+01 Qxc -0.4457494E+01 3,-1 70 3 -1 -2.955017 2.005535 0.813276 Rho 0.1110664E+00 |GRAD(Rho)| 0.2104801E-14 GRAD(Rho)x -0.1559371E-14 GRAD(Rho)y 0.5142506E-15 GRAD(Rho)z 0.1316852E-14 Laplacian 0.4288360E+00 (-1/4)Del**2(Rho)) -0.1072090E+00 Diamond 0.5993737E+00 Metallicity 0.4123760E+01 Ellipticity 0.1880941E-01 Gb(Abramov) 0.1451567E+00 Vb(Abramov) -0.1831044E+00 Hb(Abramov) -0.3794770E-01 Ex_ueg -0.3943019E-01 Ec_ueg -0.6000161E-02 Delta_ex -0.4274480E-01 Delta_ec 0.1152341E-01 Delta_et -0.1458278E+00 Pxc 0.6571523E+01 Qxc -0.3709389E+01 3,-1 71 3 -1 -2.966775 -1.970290 -0.839097 Rho 0.1258386E+00 |GRAD(Rho)| 0.7079220E-16 GRAD(Rho)x 0.4942607E-16 GRAD(Rho)y 0.2444198E-16 GRAD(Rho)z -0.4439808E-16 Laplacian 0.4872472E+00 (-1/4)Del**2(Rho)) -0.1218118E+00 Diamond 0.7970262E+00 Metallicity 0.4469104E+01 Ellipticity 0.4098251E-01 Gb(Abramov) 0.1719395E+00 Vb(Abramov) -0.2220671E+00 Hb(Abramov) -0.5012766E-01 Ex_ueg -0.4657330E-01 Ec_ueg -0.6915290E-02 Delta_ex -0.5010815E-01 Delta_ec 0.1284314E-01 Delta_et -0.1663180E+00 Pxc 0.6734829E+01 Qxc -0.3901552E+01 3,-1 72 3 -1 -2.758700 -1.801335 0.585498 Rho 0.1347071E+00 |GRAD(Rho)| 0.2681288E-16 GRAD(Rho)x 0.1792322E-16 GRAD(Rho)y 0.1244122E-16 GRAD(Rho)z -0.1558541E-16 Laplacian 0.5746228E+00 (-1/4)Del**2(Rho)) -0.1436557E+00 Diamond 0.1009802E+01 Metallicity 0.4245031E+01 Ellipticity 0.1085746E-01 Gb(Abramov) 0.1974076E+00 Vb(Abramov) -0.2511595E+00 Hb(Abramov) -0.5375192E-01 Ex_ueg -0.5100024E-01 Ec_ueg -0.7471855E-02 Delta_ex -0.5995475E-01 Delta_ec 0.1468977E-01 Delta_et -0.1919128E+00 Pxc 0.6825646E+01 Qxc -0.4081394E+01 3,-1 73 3 +1 -0.191624 -0.192164 -2.826844 Rho 0.5334414E-02 |GRAD(Rho)| 0.1605782E-12 GRAD(Rho)x -0.1075633E-12 GRAD(Rho)y -0.1058391E-12 GRAD(Rho)z -0.5489619E-13 Laplacian 0.2194368E-01 (-1/4)Del**2(Rho)) -0.5485919E-02 Diamond 0.4975150E-03 Metallicity 0.5114246E+00 Ellipticity -0.2105221E+01 Gb(Abramov) 0.4124885E-02 Vb(Abramov) -0.2763851E-02 Hb(Abramov) 0.1361034E-02 Ex_ueg -0.6883891E-03 Ec_ueg -0.1613323E-03 Delta_ex -0.1053049E-02 Delta_ec 0.5985965E-03 Delta_et -0.3351730E-02 Pxc 0.4266903E+01 Qxc -0.1759196E+01 3,+1 74 3 -1 -2.946381 -0.865088 -2.024390 Rho 0.1390711E+00 |GRAD(Rho)| 0.5985084E-13 GRAD(Rho)x 0.2353791E-13 GRAD(Rho)y -0.2782694E-13 GRAD(Rho)z 0.4747369E-13 Laplacian 0.5385987E+00 (-1/4)Del**2(Rho)) -0.1346497E+00 Diamond 0.9911160E+00 Metallicity 0.4776130E+01 Ellipticity 0.5244164E-01 Gb(Abramov) 0.1969505E+00 Vb(Abramov) -0.2592514E+00 Hb(Abramov) -0.6230084E-01 Ex_ueg -0.5321504E-01 Ec_ueg -0.7747622E-02 Delta_ex -0.5671899E-01 Delta_ec 0.1381282E-01 Delta_et -0.1816381E+00 Pxc 0.6868564E+01 Qxc -0.4106258E+01 3,-1 75 3 +1 -2.151000 -1.355581 -1.099232 Rho 0.2858296E-01 |GRAD(Rho)| 0.6900779E-16 GRAD(Rho)x -0.6152638E-16 GRAD(Rho)y -0.2485622E-16 GRAD(Rho)z -0.1894063E-16 Laplacian 0.1171625E+00 (-1/4)Del**2(Rho)) -0.2929063E-01 Diamond 0.1930081E-01 Metallicity 0.1571580E+01 Ellipticity -0.5108570E+01 Gb(Abramov) 0.2719918E-01 Vb(Abramov) -0.2510773E-01 Hb(Abramov) 0.2091451E-02 Ex_ueg -0.6454480E-02 Ec_ueg -0.1270749E-02 Delta_ex -0.7632722E-02 Delta_ec 0.2129736E-02 Delta_et -0.1940006E-01 Pxc 0.5079273E+01 Qxc -0.3583882E+01 3,+1 76 3 +3 -2.328485 -0.052218 -0.040071 Rho 0.4597722E-02 |GRAD(Rho)| 0.5592329E-17 GRAD(Rho)x 0.4299399E-17 GRAD(Rho)y -0.1233837E-17 GRAD(Rho)z 0.3356630E-17 Laplacian 0.1910113E-01 (-1/4)Del**2(Rho)) -0.4775282E-02 Diamond 0.1814179E-03 Metallicity 0.4586260E+00 Ellipticity -0.4804506E+00 Gb(Abramov) 0.3548533E-02 Vb(Abramov) -0.2321783E-02 Hb(Abramov) 0.1226749E-02 Ex_ueg -0.5646448E-03 Ec_ueg -0.1296424E-03 Delta_ex -0.7096812E-03 Delta_ec 0.2000116E-03 Delta_et -0.1222861E-02 Pxc 0.4355402E+01 Qxc -0.3548199E+01 3,+3 77 3 -1 -3.202951 3.219224 -0.151915 Rho 0.1657969E+00 |GRAD(Rho)| 0.1852110E-13 GRAD(Rho)x 0.1398206E-13 GRAD(Rho)y -0.1121941E-13 GRAD(Rho)z 0.4653829E-14 Laplacian 0.6272891E+00 (-1/4)Del**2(Rho)) -0.1568223E+00 Diamond 0.1448083E+01 Metallicity 0.5496752E+01 Ellipticity 0.1220946E+00 Gb(Abramov) 0.2482170E+00 Vb(Abramov) -0.3396118E+00 Hb(Abramov) -0.9139477E-01 Ex_ueg -0.6726983E-01 Ec_ueg -0.9462297E-02 Delta_ex -0.6918070E-01 Delta_ec 0.1574367E-01 Delta_et -0.2129287E+00 Pxc 0.7109249E+01 Qxc -0.4394192E+01 3,-1 78 3 +1 -1.353646 -2.169371 -1.102141 Rho 0.2838848E-01 |GRAD(Rho)| 0.2122457E-16 GRAD(Rho)x -0.1109521E-16 GRAD(Rho)y -0.1653939E-16 GRAD(Rho)z 0.7336720E-17 Laplacian 0.1161331E+00 (-1/4)Del**2(Rho)) -0.2903328E-01 Diamond 0.1899805E-01 Metallicity 0.1567571E+01 Ellipticity -0.5160380E+01 Gb(Abramov) 0.2694081E-01 Vb(Abramov) -0.2484834E-01 Hb(Abramov) 0.2092474E-02 Ex_ueg -0.6395991E-02 Ec_ueg -0.1260786E-02 Delta_ex -0.7556097E-02 Delta_ec 0.2118504E-02 Delta_et -0.1926451E-01 Pxc 0.5073017E+01 Qxc -0.3566714E+01 3,+1 79 3 -1 -2.791860 -0.527392 1.818495 Rho 0.1387901E+00 |GRAD(Rho)| 0.2664755E-15 GRAD(Rho)x 0.7767292E-16 GRAD(Rho)y 0.1834877E-15 GRAD(Rho)z 0.1769418E-15 Laplacian 0.5822456E+00 (-1/4)Del**2(Rho)) -0.1455614E+00 Diamond 0.1077624E+01 Metallicity 0.4403227E+01 Ellipticity 0.1410438E-01 Gb(Abramov) 0.2038642E+00 Vb(Abramov) -0.2621671E+00 Hb(Abramov) -0.5830284E-01 Ex_ueg -0.5307170E-01 Ec_ueg -0.7729826E-02 Delta_ex -0.6138227E-01 Delta_ec 0.1511295E-01 Delta_et -0.1990339E+00 Pxc 0.6865833E+01 Qxc -0.4061569E+01 3,-1 80 3 +1 -1.728547 -1.751934 1.750056 Rho 0.1216778E-01 |GRAD(Rho)| 0.3755330E-12 GRAD(Rho)x 0.1305091E-12 GRAD(Rho)y 0.1483950E-12 GRAD(Rho)z 0.3193294E-12 Laplacian 0.6147357E-01 (-1/4)Del**2(Rho)) -0.1536839E-01 Diamond 0.2518146E-02 Metallicity 0.7215673E+00 Ellipticity -0.1251521E+01 Gb(Abramov) 0.1209382E-01 Vb(Abramov) -0.8819241E-02 Hb(Abramov) 0.3274576E-02 Ex_ueg -0.2066967E-02 Ec_ueg -0.4673198E-03 Delta_ex -0.3034927E-02 Delta_ec 0.8017408E-03 Delta_et -0.6029247E-02 Pxc 0.4423024E+01 Qxc -0.3785422E+01 3,+1 81 3 -1 -3.143683 0.032219 -3.230919 Rho 0.2457548E+00 |GRAD(Rho)| 0.1834953E-15 GRAD(Rho)x -0.2428613E-16 GRAD(Rho)y 0.4621412E-16 GRAD(Rho)z -0.1759118E-15 Laplacian 0.8814214E+00 (-1/4)Del**2(Rho)) -0.2203554E+00 Diamond 0.3217731E+01 Metallicity 0.7538175E+01 Ellipticity 0.4779590E-02 Gb(Abramov) 0.4237498E+00 Vb(Abramov) -0.6271442E+00 Hb(Abramov) -0.2033944E+00 Ex_ueg -0.1136897E+00 Ec_ueg -0.1483783E-01 Delta_ex -0.1072082E+00 Delta_ec 0.1942815E-01 Delta_et -0.2697376E+00 Pxc 0.7662149E+01 Qxc -0.5518190E+01 3,-1 82 3 +1 -1.656017 0.498549 -0.577914 Rho 0.8933877E-02 |GRAD(Rho)| 0.4684839E-17 GRAD(Rho)x -0.3912961E-17 GRAD(Rho)y -0.1852673E-17 GRAD(Rho)z 0.1789986E-17 Laplacian 0.3567429E-01 (-1/4)Del**2(Rho)) -0.8918574E-02 Diamond 0.1049849E-02 Metallicity 0.7430038E+00 Ellipticity -0.1483800E+01 Gb(Abramov) 0.7050138E-02 Vb(Abramov) -0.5181703E-02 Hb(Abramov) 0.1868436E-02 Ex_ueg -0.1369110E-02 Ec_ueg -0.3199433E-03 Delta_ex -0.1664522E-02 Delta_ec 0.5358529E-03 Delta_et -0.3671354E-02 Pxc 0.4279227E+01 Qxc -0.3106303E+01 3,+1 83 3 +1 -2.170892 1.345261 1.106091 Rho 0.2789362E-01 |GRAD(Rho)| 0.2106130E-16 GRAD(Rho)x 0.2006790E-16 GRAD(Rho)y 0.5386330E-17 GRAD(Rho)z -0.3441681E-17 Laplacian 0.1118041E+00 (-1/4)Del**2(Rho)) -0.2795103E-01 Diamond 0.1776327E-01 Metallicity 0.1581237E+01 Ellipticity -0.5314798E+01 Gb(Abramov) 0.2600022E-01 Vb(Abramov) -0.2404941E-01 Hb(Abramov) 0.1950810E-02 Ex_ueg -0.6247770E-02 Ec_ueg -0.1235479E-02 Delta_ex -0.7232075E-02 Delta_ec 0.2024550E-02 Delta_et -0.1833273E-01 Pxc 0.5056962E+01 Qxc -0.3572189E+01 3,+1 84 3 +1 -1.723374 1.766998 -1.705765 Rho 0.1218506E-01 |GRAD(Rho)| 0.1550656E-16 GRAD(Rho)x 0.8800449E-17 GRAD(Rho)y 0.1274549E-16 GRAD(Rho)z 0.7468882E-18 Laplacian 0.6098549E-01 (-1/4)Del**2(Rho)) -0.1524637E-01 Diamond 0.2537992E-02 Metallicity 0.7290649E+00 Ellipticity -0.1286005E+01 Gb(Abramov) 0.1201685E-01 Vb(Abramov) -0.8787322E-02 Hb(Abramov) 0.3229525E-02 Ex_ueg -0.2070882E-02 Ec_ueg -0.4681188E-03 Delta_ex -0.3021860E-02 Delta_ec 0.8130537E-03 Delta_et -0.6103036E-02 Pxc 0.4423838E+01 Qxc -0.3716679E+01 3,+1 85 3 -1 -2.733857 1.817367 -0.564052 Rho 0.1771097E+00 |GRAD(Rho)| 0.9120205E-14 GRAD(Rho)x 0.9620194E-15 GRAD(Rho)y 0.7572691E-14 GRAD(Rho)z 0.4990691E-14 Laplacian 0.7320631E+00 (-1/4)Del**2(Rho)) -0.1830158E+00 Diamond 0.1768404E+01 Metallicity 0.5257773E+01 Ellipticity 0.8539115E-02 Gb(Abramov) 0.2823864E+00 Vb(Abramov) -0.3817571E+00 Hb(Abramov) -0.9937065E-01 Ex_ueg -0.7345840E-01 Ec_ueg -0.1020096E-01 Delta_ex -0.8158931E-01 Delta_ec 0.1719529E-01 Delta_et -0.2318953E+00 Pxc 0.7201125E+01 Qxc -0.4744864E+01 3,-1 86 3 -1 -1.953766 -0.897600 -3.055329 Rho 0.1570412E+00 |GRAD(Rho)| 0.1176929E-14 GRAD(Rho)x -0.8985190E-15 GRAD(Rho)y 0.6713380E-15 GRAD(Rho)z 0.3565534E-15 Laplacian 0.6081526E+00 (-1/4)Del**2(Rho)) -0.1520382E+00 Diamond 0.1294216E+01 Metallicity 0.5179526E+01 Ellipticity 0.6882566E-01 Gb(Abramov) 0.2326064E+00 Vb(Abramov) -0.3131746E+00 Hb(Abramov) -0.8056822E-01 Ex_ueg -0.6257535E-01 Ec_ueg -0.8895767E-02 Delta_ex -0.6597768E-01 Delta_ec 0.1512019E-01 Delta_et -0.2022007E+00 Pxc 0.7034284E+01 Qxc -0.4363549E+01 3,-1 87 3 +1 0.541162 -0.538816 -1.653704 Rho 0.9534147E-02 |GRAD(Rho)| 0.1580060E-12 GRAD(Rho)x -0.4007410E-13 GRAD(Rho)y 0.9126282E-13 GRAD(Rho)z 0.1226013E-12 Laplacian 0.3672094E-01 (-1/4)Del**2(Rho)) -0.9180235E-02 Diamond 0.1130150E-02 Metallicity 0.8044564E+00 Ellipticity -0.1505839E+01 Gb(Abramov) 0.7351006E-02 Vb(Abramov) -0.5521778E-02 Hb(Abramov) 0.1829228E-02 Ex_ueg -0.1493118E-02 Ec_ueg -0.3469679E-03 Delta_ex -0.1721761E-02 Delta_ec 0.5160589E-03 Delta_et -0.3622200E-02 Pxc 0.4303333E+01 Qxc -0.3336364E+01 3,+1 88 3 -1 -1.693008 -0.571152 -1.769687 Rho 0.4585785E-01 |GRAD(Rho)| 0.7410522E-14 GRAD(Rho)x -0.4665622E-14 GRAD(Rho)y 0.2147936E-14 GRAD(Rho)z -0.5341740E-14 Laplacian 0.1954773E+00 (-1/4)Del**2(Rho)) -0.4886932E-01 Diamond 0.9022264E-01 Metallicity 0.2071125E+01 Ellipticity 0.1986398E-01 Gb(Abramov) 0.4944863E-01 Vb(Abramov) -0.5002794E-01 Hb(Abramov) -0.5793086E-03 Ex_ueg -0.1212281E-01 Ec_ueg -0.2187224E-02 Delta_ex -0.1584732E-01 Delta_ec 0.6011294E-02 Delta_et -0.6200243E-01 Pxc 0.5542557E+01 Qxc -0.2636257E+01 3,-1 89 3 +1 -0.214395 -2.888859 -0.235172 Rho 0.5451644E-02 |GRAD(Rho)| 0.3450768E-17 GRAD(Rho)x 0.2519305E-17 GRAD(Rho)y 0.2249709E-18 GRAD(Rho)z -0.2347401E-17 Laplacian 0.2315532E-01 (-1/4)Del**2(Rho)) -0.5788831E-02 Diamond 0.5176399E-03 Metallicity 0.5025448E+00 Ellipticity -0.1761319E+01 Gb(Abramov) 0.4344078E-02 Vb(Abramov) -0.2899326E-02 Hb(Abramov) 0.1444752E-02 Ex_ueg -0.7086335E-03 Ec_ueg -0.1664004E-03 Delta_ex -0.1097170E-02 Delta_ec 0.5977621E-03 Delta_et -0.3384247E-02 Pxc 0.4258606E+01 Qxc -0.1835463E+01 3,+1 90 3 +1 -0.519003 0.538045 -1.643166 Rho 0.9487097E-02 |GRAD(Rho)| 0.2273369E-16 GRAD(Rho)x -0.1476467E-16 GRAD(Rho)y 0.1925782E-17 GRAD(Rho)z -0.1717895E-16 Laplacian 0.3657687E-01 (-1/4)Del**2(Rho)) -0.9144218E-02 Diamond 0.1154814E-02 Metallicity 0.8009932E+00 Ellipticity -0.1545633E+01 Gb(Abramov) 0.7316888E-02 Vb(Abramov) -0.5489558E-02 Hb(Abramov) 0.1827330E-02 Ex_ueg -0.1483302E-02 Ec_ueg -0.3448440E-03 Delta_ex -0.1727336E-02 Delta_ec 0.5399172E-03 Delta_et -0.3764501E-02 Pxc 0.4301370E+01 Qxc -0.3199261E+01 3,+1 91 3 +1 0.183742 0.189962 -2.824639 Rho 0.5370412E-02 |GRAD(Rho)| 0.3107668E-12 GRAD(Rho)x -0.2947645E-12 GRAD(Rho)y 0.6426755E-13 GRAD(Rho)z 0.7456267E-13 Laplacian 0.2202603E-01 (-1/4)Del**2(Rho)) -0.5506508E-02 Diamond 0.5235695E-03 Metallicity 0.5152557E+00 Ellipticity -0.2494804E+01 Gb(Abramov) 0.4143882E-02 Vb(Abramov) -0.2781256E-02 Hb(Abramov) 0.1362626E-02 Ex_ueg -0.6945899E-03 Ec_ueg -0.1628878E-03 Delta_ex -0.1075039E-02 Delta_ec 0.6304519E-03 Delta_et -0.3523412E-02 Pxc 0.4264224E+01 Qxc -0.1705189E+01 3,+1 92 3 +3 1.103327 -1.133297 -1.107294 Rho 0.5528387E-02 |GRAD(Rho)| 0.2289462E-15 GRAD(Rho)x -0.2753538E-16 GRAD(Rho)y -0.2222526E-15 GRAD(Rho)z -0.4756003E-16 Laplacian 0.2180497E-01 (-1/4)Del**2(Rho)) -0.5451243E-02 Diamond 0.1710481E-03 Metallicity 0.5462462E+00 Ellipticity -0.1229814E+00 Gb(Abramov) 0.4130448E-02 Vb(Abramov) -0.2809654E-02 Hb(Abramov) 0.1320794E-02 Ex_ueg -0.7219653E-03 Ec_ueg -0.1697218E-03 Delta_ex -0.7717098E-03 Delta_ec 0.9066786E-04 Delta_et -0.7454300E-03 Pxc 0.4253815E+01 Qxc -0.8511393E+01 3,+3 93 3 -1 -1.850955 -0.525072 2.785397 Rho 0.1158576E+00 |GRAD(Rho)| 0.1757371E-13 GRAD(Rho)x -0.1242339E-13 GRAD(Rho)y 0.1227744E-13 GRAD(Rho)z -0.1938889E-14 Laplacian 0.4887771E+00 (-1/4)Del**2(Rho)) -0.1221943E+00 Diamond 0.7322355E+00 Metallicity 0.3881888E+01 Ellipticity 0.1929134E-01 Gb(Abramov) 0.1605203E+00 Vb(Abramov) -0.1988463E+00 Hb(Abramov) -0.3832600E-01 Ex_ueg -0.4171424E-01 Ec_ueg -0.6295278E-02 Delta_ex -0.4939988E-01 Delta_ec 0.1334453E-01 Delta_et -0.1706930E+00 Pxc 0.6626274E+01 Qxc -0.3701883E+01 3,-1 94 3 +1 -0.539012 -0.534868 1.661721 Rho 0.7962793E-02 |GRAD(Rho)| 0.9261877E-13 GRAD(Rho)x 0.4531278E-13 GRAD(Rho)y 0.2982795E-13 GRAD(Rho)z -0.7506851E-13 Laplacian 0.3060717E-01 (-1/4)Del**2(Rho)) -0.7651793E-02 Diamond 0.7540552E-03 Metallicity 0.7148786E+00 Ellipticity -0.1455161E+01 Gb(Abramov) 0.6012879E-02 Vb(Abramov) -0.4373965E-02 Hb(Abramov) 0.1638914E-02 Ex_ueg -0.1174372E-02 Ec_ueg -0.2765605E-03 Delta_ex -0.1379606E-02 Delta_ec 0.4454082E-03 Delta_et -0.2972304E-02 Pxc 0.4246347E+01 Qxc -0.3097397E+01 3,+1 95 3 +3 0.003153 0.000663 -2.333846 Rho 0.4912613E-02 |GRAD(Rho)| 0.4118356E-17 GRAD(Rho)x 0.1678876E-17 GRAD(Rho)y -0.1550312E-17 GRAD(Rho)z -0.3426188E-17 Laplacian 0.1991697E-01 (-1/4)Del**2(Rho)) -0.4979242E-02 Diamond 0.2089778E-03 Metallicity 0.4911839E+00 Ellipticity -0.3453405E+00 Gb(Abramov) 0.3727116E-02 Vb(Abramov) -0.2474989E-02 Hb(Abramov) 0.1252127E-02 Ex_ueg -0.6167869E-03 Ec_ueg -0.1431541E-03 Delta_ex -0.7543561E-03 Delta_ec 0.2119950E-03 Delta_et -0.1313405E-02 Pxc 0.4308551E+01 Qxc -0.3558367E+01 3,+3 96 3 -1 0.064216 -2.901002 0.049453 Rho 0.5650522E-02 |GRAD(Rho)| 0.3572308E-15 GRAD(Rho)x 0.2931870E-15 GRAD(Rho)y 0.7221670E-16 GRAD(Rho)z 0.1908925E-15 Laplacian 0.2284244E-01 (-1/4)Del**2(Rho)) -0.5710611E-02 Diamond 0.7407947E-03 Metallicity 0.5407770E+00 Ellipticity 0.1873535E+01 Gb(Abramov) 0.4321768E-02 Vb(Abramov) -0.2932926E-02 Hb(Abramov) 0.1388842E-02 Ex_ueg -0.7433097E-03 Ec_ueg -0.1750139E-03 Delta_ex -0.1252111E-02 Delta_ec 0.8782573E-03 Delta_et -0.4884619E-02 Pxc 0.4247146E+01 Qxc -0.1425677E+01 3,-1 97 3 -1 -1.777859 0.534022 -2.770712 Rho 0.1336523E+00 |GRAD(Rho)| 0.1998481E-11 GRAD(Rho)x 0.5772949E-12 GRAD(Rho)y 0.1672642E-11 GRAD(Rho)z -0.9289376E-12 Laplacian 0.5605231E+00 (-1/4)Del**2(Rho)) -0.1401308E+00 Diamond 0.9746701E+00 Metallicity 0.4295167E+01 Ellipticity 0.1465305E-01 Gb(Abramov) 0.1937347E+00 Vb(Abramov) -0.2473386E+00 Hb(Abramov) -0.5360393E-01 Ex_ueg -0.5046846E-01 Ec_ueg -0.7405386E-02 Delta_ex -0.5835925E-01 Delta_ec 0.1433402E-01 Delta_et -0.1869946E+00 Pxc 0.6815103E+01 Qxc -0.4071381E+01 3,-1 98 3 -1 -1.755196 0.574272 1.710164 Rho 0.4351176E-01 |GRAD(Rho)| 0.6937268E-16 GRAD(Rho)x -0.2526488E-16 GRAD(Rho)y -0.1445102E-16 GRAD(Rho)z 0.6297161E-16 Laplacian 0.1765090E+00 (-1/4)Del**2(Rho)) -0.4412724E-01 Diamond 0.7297676E-01 Metallicity 0.2101475E+01 Ellipticity 0.1555088E-01 Gb(Abramov) 0.4487354E-01 Vb(Abramov) -0.4561984E-01 Hb(Abramov) -0.7463014E-03 Ex_ueg -0.1130301E-01 Ec_ueg -0.2059498E-02 Delta_ex -0.1397494E-01 Delta_ec 0.5163215E-02 Delta_et -0.5246666E-01 Pxc 0.5488233E+01 Qxc -0.2706636E+01 3,-1 99 3 -1 -1.986325 -2.969754 -0.848828 Rho 0.1222814E+00 |GRAD(Rho)| 0.1190719E-15 GRAD(Rho)x -0.5832330E-16 GRAD(Rho)y 0.8098651E-16 GRAD(Rho)z -0.6494371E-16 Laplacian 0.4756897E+00 (-1/4)Del**2(Rho)) -0.1189224E+00 Diamond 0.7525943E+00 Metallicity 0.4364055E+01 Ellipticity 0.3441108E-01 Gb(Abramov) 0.1657790E+00 Vb(Abramov) -0.2126355E+00 Hb(Abramov) -0.4685652E-01 Ex_ueg -0.4482624E-01 Ec_ueg -0.6693530E-02 Delta_ex -0.4859533E-01 Delta_ec 0.1264327E-01 Delta_et -0.1629739E+00 Pxc 0.6696951E+01 Qxc -0.3843573E+01 3,-1 100 3 -1 -1.787120 -2.764074 0.566382 Rho 0.1330540E+00 |GRAD(Rho)| 0.8734219E-15 GRAD(Rho)x -0.6941333E-15 GRAD(Rho)y 0.1583240E-15 GRAD(Rho)z -0.5059429E-15 Laplacian 0.5525298E+00 (-1/4)Del**2(Rho)) -0.1381325E+00 Diamond 0.9564603E+00 Metallicity 0.4324848E+01 Ellipticity 0.1105982E-01 Gb(Abramov) 0.1916553E+00 Vb(Abramov) -0.2451781E+00 Hb(Abramov) -0.5352282E-01 Ex_ueg -0.5016750E-01 Ec_ueg -0.7367721E-02 Delta_ex -0.5747432E-01 Delta_ec 0.1416282E-01 Delta_et -0.1846688E+00 Pxc 0.6809093E+01 Qxc -0.4058114E+01 3,-1 101 3 +1 0.238463 2.933374 -0.235300 Rho 0.5329835E-02 |GRAD(Rho)| 0.3964918E-15 GRAD(Rho)x -0.2524924E-15 GRAD(Rho)y 0.1452318E-15 GRAD(Rho)z 0.2690001E-15 Laplacian 0.2260118E-01 (-1/4)Del**2(Rho)) -0.5650296E-02 Diamond 0.4912097E-03 Metallicity 0.4958363E+00 Ellipticity -0.1749935E+01 Gb(Abramov) 0.4233801E-02 Vb(Abramov) -0.2817306E-02 Hb(Abramov) 0.1416495E-02 Ex_ueg -0.6876014E-03 Ec_ueg -0.1611345E-03 Delta_ex -0.1066827E-02 Delta_ec 0.5851378E-03 Delta_et -0.3290081E-02 Pxc 0.4267253E+01 Qxc -0.1823207E+01 3,+1 102 3 +1 1.165779 1.318680 -2.194284 Rho 0.2769613E-01 |GRAD(Rho)| 0.4544901E-16 GRAD(Rho)x 0.9405987E-17 GRAD(Rho)y 0.2130629E-16 GRAD(Rho)z -0.3902797E-16 Laplacian 0.1116697E+00 (-1/4)Del**2(Rho)) -0.2791743E-01 Diamond 0.1734196E-01 Metallicity 0.1564502E+01 Ellipticity -0.4616072E+01 Gb(Abramov) 0.2589110E-01 Vb(Abramov) -0.2386477E-01 Hb(Abramov) 0.2026329E-02 Ex_ueg -0.6188858E-02 Ec_ueg -0.1225395E-02 Delta_ex -0.7188188E-02 Delta_ec 0.1983658E-02 Delta_et -0.1793669E-01 Pxc 0.5050500E+01 Qxc -0.3623704E+01 3,+1 103 3 -1 -1.718054 -1.728005 -0.526044 Rho 0.4461227E-01 |GRAD(Rho)| 0.2015926E-15 GRAD(Rho)x 0.1431733E-15 GRAD(Rho)y 0.1344625E-15 GRAD(Rho)z -0.4539641E-16 Laplacian 0.1890179E+00 (-1/4)Del**2(Rho)) -0.4725446E-01 Diamond 0.8389029E-01 Metallicity 0.2045821E+01 Ellipticity 0.9610384E-02 Gb(Abramov) 0.4761533E-01 Vb(Abramov) -0.4797621E-01 Hb(Abramov) -0.3608717E-03 Ex_ueg -0.1168577E-01 Ec_ueg -0.2119299E-02 Delta_ex -0.1521186E-01 Delta_ec 0.5800621E-02 Delta_et -0.5938836E-01 Pxc 0.5513982E+01 Qxc -0.2622454E+01 3,-1 104 3 -1 -1.775677 2.795115 -0.586363 Rho 0.1674036E+00 |GRAD(Rho)| 0.7111756E-15 GRAD(Rho)x 0.6626373E-15 GRAD(Rho)y 0.1098500E-15 GRAD(Rho)z -0.2336998E-15 Laplacian 0.6906080E+00 (-1/4)Del**2(Rho)) -0.1726520E+00 Diamond 0.1557698E+01 Metallicity 0.5073679E+01 Ellipticity 0.1550731E-01 Gb(Abramov) 0.2610981E+00 Vb(Abramov) -0.3495443E+00 Hb(Abramov) -0.8844614E-01 Ex_ueg -0.6814043E-01 Ec_ueg -0.9566752E-02 Delta_ex -0.7587222E-01 Delta_ec 0.1644335E-01 Delta_et -0.2204056E+00 Pxc 0.7122630E+01 Qxc -0.4614158E+01 3,-1 105 3 +1 -1.168193 2.162041 1.267219 Rho 0.2987586E-01 |GRAD(Rho)| 0.2253631E-16 GRAD(Rho)x -0.5255287E-17 GRAD(Rho)y 0.7653620E-17 GRAD(Rho)z 0.2053507E-16 Laplacian 0.1254020E+00 (-1/4)Del**2(Rho)) -0.3135049E-01 Diamond 0.2336965E-01 Metallicity 0.1580676E+01 Ellipticity -0.1235392E+02 Gb(Abramov) 0.2915949E-01 Vb(Abramov) -0.2696849E-01 Hb(Abramov) 0.2191000E-02 Ex_ueg -0.6846664E-02 Ec_ueg -0.1337206E-02 Delta_ex -0.8387695E-02 Delta_ec 0.2495821E-02 Delta_et -0.2296291E-01 Pxc 0.5120127E+01 Qxc -0.3360696E+01 3,+1 106 3 +1 -0.150017 2.915210 0.159637 Rho 0.5551938E-02 |GRAD(Rho)| 0.4958921E-13 GRAD(Rho)x 0.1651904E-13 GRAD(Rho)y -0.3191459E-13 GRAD(Rho)z -0.3417119E-13 Laplacian 0.2327410E-01 (-1/4)Del**2(Rho)) -0.5818526E-02 Diamond 0.6437809E-03 Metallicity 0.5154040E+00 Ellipticity -0.4220802E+01 Gb(Abramov) 0.4378833E-02 Vb(Abramov) -0.2939139E-02 Hb(Abramov) 0.1439693E-02 Ex_ueg -0.7260689E-03 Ec_ueg -0.1707417E-03 Delta_ex -0.1196281E-02 Delta_ec 0.7602235E-03 Delta_et -0.4249487E-02 Pxc 0.4252440E+01 Qxc -0.1573591E+01 3,+1 107 3 +1 0.534440 -1.665180 -0.547668 Rho 0.9065903E-02 |GRAD(Rho)| 0.1342951E-12 GRAD(Rho)x -0.5016037E-13 GRAD(Rho)y 0.1153076E-12 GRAD(Rho)z 0.4715155E-13 Laplacian 0.3574660E-01 (-1/4)Del**2(Rho)) -0.8936651E-02 Diamond 0.1029372E-02 Metallicity 0.7598540E+00 Ellipticity -0.1456543E+01 Gb(Abramov) 0.7089525E-02 Vb(Abramov) -0.5242400E-02 Hb(Abramov) 0.1847125E-02 Ex_ueg -0.1396153E-02 Ec_ueg -0.3258738E-03 Delta_ex -0.1655642E-02 Delta_ec 0.5040637E-03 Delta_et -0.3491385E-02 Pxc 0.4284338E+01 Qxc -0.3284589E+01 3,+1 108 3 +1 -0.090197 0.082366 2.896462 Rho 0.5002463E-02 |GRAD(Rho)| 0.1640740E-15 GRAD(Rho)x -0.9789922E-17 GRAD(Rho)y -0.1624534E-15 GRAD(Rho)z -0.2081716E-16 Laplacian 0.2025430E-01 (-1/4)Del**2(Rho)) -0.5063575E-02 Diamond 0.5058447E-03 Metallicity 0.4978162E+00 Ellipticity -0.7192132E+01 Gb(Abramov) 0.3795838E-02 Vb(Abramov) -0.2528102E-02 Hb(Abramov) 0.1267737E-02 Ex_ueg -0.6318736E-03 Ec_ueg -0.1470188E-03 Delta_ex -0.1037927E-02 Delta_ec 0.6927978E-03 Delta_et -0.3740793E-02 Pxc 0.4297911E+01 Qxc -0.1498168E+01 3,+1 109 3 +1 -1.253625 1.196791 2.153130 Rho 0.2797541E-01 |GRAD(Rho)| 0.3723201E-17 GRAD(Rho)x 0.2274031E-17 GRAD(Rho)y 0.2941868E-17 GRAD(Rho)z 0.1908486E-18 Laplacian 0.1133833E+00 (-1/4)Del**2(Rho)) -0.2834582E-01 Diamond 0.1870712E-01 Metallicity 0.1566841E+01 Ellipticity -0.7455383E+01 Gb(Abramov) 0.2629944E-01 Vb(Abramov) -0.2425307E-01 Hb(Abramov) 0.2046372E-02 Ex_ueg -0.6272207E-02 Ec_ueg -0.1239658E-02 Delta_ex -0.7397926E-02 Delta_ec 0.2156667E-02 Delta_et -0.1952884E-01 Pxc 0.5059629E+01 Qxc -0.3430258E+01 3,+1 110 3 -1 -0.068730 2.923496 0.077542 Rho 0.5558153E-02 |GRAD(Rho)| 0.2743575E-15 GRAD(Rho)x -0.1929836E-15 GRAD(Rho)y -0.2733271E-16 GRAD(Rho)z 0.1930862E-15 Laplacian 0.2275349E-01 (-1/4)Del**2(Rho)) -0.5688372E-02 Diamond 0.7111259E-03 Metallicity 0.5281809E+00 Ellipticity 0.3416193E+01 Gb(Abramov) 0.4292996E-02 Vb(Abramov) -0.2897621E-02 Hb(Abramov) 0.1395376E-02 Ex_ueg -0.7271529E-03 Ec_ueg -0.1710109E-03 Delta_ex -0.1234927E-02 Delta_ec 0.8595421E-03 Delta_et -0.4761529E-02 Pxc 0.4252084E+01 Qxc -0.1436727E+01 3,-1 111 3 -1 -0.832599 -2.998571 -1.996652 Rho 0.1419498E+00 |GRAD(Rho)| 0.4325542E-15 GRAD(Rho)x -0.3562282E-15 GRAD(Rho)y -0.8324640E-16 GRAD(Rho)z 0.2308131E-15 Laplacian 0.5543700E+00 (-1/4)Del**2(Rho)) -0.1385925E+00 Diamond 0.1042575E+01 Metallicity 0.4801439E+01 Ellipticity 0.5979046E-01 Gb(Abramov) 0.2033022E+00 Vb(Abramov) -0.2680120E+00 Hb(Abramov) -0.6470974E-01 Ex_ueg -0.5468876E-01 Ec_ueg -0.7930193E-02 Delta_ex -0.5864054E-01 Delta_ec 0.1408911E-01 Delta_et -0.1857125E+00 Pxc 0.6896271E+01 Qxc -0.4162118E+01 3,-1 112 3 -1 0.828143 -1.965746 3.009720 Rho 0.1316071E+00 |GRAD(Rho)| 0.5017070E-13 GRAD(Rho)x 0.2556259E-13 GRAD(Rho)y 0.2968508E-13 GRAD(Rho)z -0.3134405E-13 Laplacian 0.5150146E+00 (-1/4)Del**2(Rho)) -0.1287537E+00 Diamond 0.8847306E+00 Metallicity 0.4556089E+01 Ellipticity 0.4401690E-01 Gb(Abramov) 0.1836046E+00 Vb(Abramov) -0.2384556E+00 Hb(Abramov) -0.5485097E-01 Ex_ueg -0.4944138E-01 Ec_ueg -0.7276714E-02 Delta_ex -0.5348750E-01 Delta_ec 0.1333883E-01 Delta_et -0.1738281E+00 Pxc 0.6794466E+01 Qxc -0.4009911E+01 3,-1 113 3 +3 -0.012662 -0.003941 2.316531 Rho 0.4368935E-02 |GRAD(Rho)| 0.3001244E-15 GRAD(Rho)x -0.1354969E-15 GRAD(Rho)y 0.1487108E-15 GRAD(Rho)z -0.2227113E-15 Laplacian 0.1763072E-01 (-1/4)Del**2(Rho)) -0.4407680E-02 Diamond 0.1474116E-03 Metallicity 0.4563546E+00 Ellipticity -0.2469389E+00 Gb(Abramov) 0.3273698E-02 Vb(Abramov) -0.2139715E-02 Hb(Abramov) 0.1133983E-02 Ex_ueg -0.5274960E-03 Ec_ueg -0.1198574E-03 Delta_ex -0.6369020E-03 Delta_ec 0.1670541E-03 Delta_et -0.1030072E-02 Pxc 0.4401030E+01 Qxc -0.3812550E+01 3,+3 114 3 -1 -0.846006 1.980543 2.992187 Rho 0.1416550E+00 |GRAD(Rho)| 0.3741139E-15 GRAD(Rho)x 0.2156614E-15 GRAD(Rho)y 0.2716875E-15 GRAD(Rho)z -0.1401331E-15 Laplacian 0.5610895E+00 (-1/4)Del**2(Rho)) -0.1402724E+00 Diamond 0.1064822E+01 Metallicity 0.4727527E+01 Ellipticity 0.3224539E-01 Gb(Abramov) 0.2040385E+00 Vb(Abramov) -0.2678046E+00 Hb(Abramov) -0.6376612E-01 Ex_ueg -0.5453737E-01 Ec_ueg -0.7911471E-02 Delta_ex -0.5945276E-01 Delta_ec 0.1450215E-01 Delta_et -0.1916033E+00 Pxc 0.6893455E+01 Qxc -0.4099582E+01 3,-1 115 3 -1 -0.567420 -2.748284 1.831680 Rho 0.1317905E+00 |GRAD(Rho)| 0.4275693E-15 GRAD(Rho)x 0.2475505E-15 GRAD(Rho)y -0.1499587E-15 GRAD(Rho)z 0.3147168E-15 Laplacian 0.5464374E+00 (-1/4)Del**2(Rho)) -0.1366093E+00 Diamond 0.9346145E+00 Metallicity 0.4304070E+01 Ellipticity 0.4933303E-02 Gb(Abramov) 0.1890689E+00 Vb(Abramov) -0.2415285E+00 Hb(Abramov) -0.5245959E-01 Ex_ueg -0.4953327E-01 Ec_ueg -0.7288241E-02 Delta_ex -0.5670299E-01 Delta_ec 0.1402812E-01 Delta_et -0.1826205E+00 Pxc 0.6796327E+01 Qxc -0.4042094E+01 3,-1 116 3 -1 -0.819012 -2.024093 -3.005755 Rho 0.1135965E+00 |GRAD(Rho)| 0.1097425E-13 GRAD(Rho)x -0.9524445E-14 GRAD(Rho)y 0.4165118E-14 GRAD(Rho)z -0.3517233E-14 Laplacian 0.4422859E+00 (-1/4)Del**2(Rho)) -0.1105715E+00 Diamond 0.6400643E+00 Metallicity 0.4151310E+01 Ellipticity 0.2758337E-01 Gb(Abramov) 0.1502170E+00 Vb(Abramov) -0.1898626E+00 Hb(Abramov) -0.3964558E-01 Ex_ueg -0.4063233E-01 Ec_ueg -0.6155798E-02 Delta_ex -0.4439234E-01 Delta_ec 0.1194968E-01 Delta_et -0.1520331E+00 Pxc 0.6600661E+01 Qxc -0.3714940E+01 3,-1 117 3 -1 -0.509229 2.794150 -1.825202 Rho 0.9957571E-01 |GRAD(Rho)| 0.1923389E-15 GRAD(Rho)x 0.1541973E-15 GRAD(Rho)y -0.4381871E-16 GRAD(Rho)z -0.1062891E-15 Laplacian 0.4083808E+00 (-1/4)Del**2(Rho)) -0.1020952E+00 Diamond 0.5052823E+00 Metallicity 0.3609692E+01 Ellipticity 0.1378004E-01 Gb(Abramov) 0.1294855E+00 Vb(Abramov) -0.1568758E+00 Hb(Abramov) -0.2739030E-01 Ex_ueg -0.3408706E-01 Ec_ueg -0.5299357E-02 Delta_ex -0.3975789E-01 Delta_ec 0.1139738E-01 Delta_et -0.1414579E+00 Pxc 0.6432302E+01 Qxc -0.3488335E+01 3,-1 118 3 -1 -0.868932 2.977889 1.983151 Rho 0.1433098E+00 |GRAD(Rho)| 0.4684735E-15 GRAD(Rho)x -0.3907465E-15 GRAD(Rho)y 0.2511148E-15 GRAD(Rho)z -0.6104058E-16 Laplacian 0.5671501E+00 (-1/4)Del**2(Rho)) -0.1417875E+00 Diamond 0.1097147E+01 Metallicity 0.4768423E+01 Ellipticity 0.5673068E-01 Gb(Abramov) 0.2072088E+00 Vb(Abramov) -0.2726301E+00 Hb(Abramov) -0.6542130E-01 Ex_ueg -0.5538848E-01 Ec_ueg -0.8016627E-02 Delta_ex -0.6032578E-01 Delta_ec 0.1472505E-01 Delta_et -0.1951164E+00 Pxc 0.6909199E+01 Qxc -0.4096812E+01 3,-1 119 3 -1 0.019345 0.024108 -2.837006 Rho 0.5407283E-02 |GRAD(Rho)| 0.5127042E-14 GRAD(Rho)x -0.3621549E-14 GRAD(Rho)y -0.3511002E-14 GRAD(Rho)z 0.9185873E-15 Laplacian 0.2152072E-01 (-1/4)Del**2(Rho)) -0.5380181E-02 Diamond 0.6336319E-03 Metallicity 0.5334021E+00 Ellipticity 0.2246901E+01 Gb(Abramov) 0.4065087E-02 Vb(Abramov) -0.2749994E-02 Hb(Abramov) 0.1315094E-02 Ex_ueg -0.7009555E-03 Ec_ueg -0.1644817E-03 Delta_ex -0.1149982E-02 Delta_ec 0.7912373E-03 Delta_et -0.4353769E-02 Pxc 0.4261602E+01 Qxc -0.1453397E+01 3,-1 120 3 +3 1.121756 1.101664 1.097652 Rho 0.5156892E-02 |GRAD(Rho)| 0.1294673E-11 GRAD(Rho)x -0.1951343E-13 GRAD(Rho)y -0.1294230E-11 GRAD(Rho)z -0.2766689E-13 Laplacian 0.1996041E-01 (-1/4)Del**2(Rho)) -0.4990102E-02 Diamond 0.1451261E-03 Metallicity 0.5314027E+00 Ellipticity -0.5406852E-01 Gb(Abramov) 0.3768694E-02 Vb(Abramov) -0.2547285E-02 Hb(Abramov) 0.1221408E-02 Ex_ueg -0.6580149E-03 Ec_ueg -0.1536707E-03 Delta_ex -0.6953048E-03 Delta_ec 0.8746255E-04 Delta_et -0.6974072E-03 Pxc 0.4281980E+01 Qxc -0.7949743E+01 3,+3 121 3 -1 -0.458309 -0.475363 -0.493588 Rho 0.1909048E+00 |GRAD(Rho)| 0.4898928E-15 GRAD(Rho)x 0.4614364E-15 GRAD(Rho)y 0.1110223E-15 GRAD(Rho)z 0.1214306E-15 Laplacian 0.5367987E+00 (-1/4)Del**2(Rho)) -0.1341997E+00 Diamond 0.1477950E+01 Metallicity 0.8125119E+01 Ellipticity 0.1735473E-02 Gb(Abramov) 0.2711978E+00 Vb(Abramov) -0.4081960E+00 Hb(Abramov) -0.1369982E+00 Ex_ueg -0.8118469E-01 Ec_ueg -0.1111168E-01 Delta_ex -0.6140336E-01 Delta_ec 0.1311672E-01 Delta_et -0.1806301E+00 Pxc 0.7306248E+01 Qxc -0.4681305E+01 3,-1 122 3 -1 0.592117 -2.791584 -1.781104 Rho 0.1320672E+00 |GRAD(Rho)| 0.7913787E-12 GRAD(Rho)x -0.5883358E-12 GRAD(Rho)y 0.5276608E-12 GRAD(Rho)z -0.4141652E-13 Laplacian 0.5550693E+00 (-1/4)Del**2(Rho)) -0.1387673E+00 Diamond 0.9578058E+00 Metallicity 0.4251978E+01 Ellipticity 0.3410358E-01 Gb(Abramov) 0.1908508E+00 Vb(Abramov) -0.2429343E+00 Hb(Abramov) -0.5208349E-01 Ex_ueg -0.4967201E-01 Ec_ueg -0.7305641E-02 Delta_ex -0.5769924E-01 Delta_ec 0.1436961E-01 Delta_et -0.1873746E+00 Pxc 0.6799131E+01 Qxc -0.4015365E+01 3,-1 123 3 +1 0.545401 1.664474 0.508285 Rho 0.8882174E-02 |GRAD(Rho)| 0.3568107E-17 GRAD(Rho)x 0.1355954E-17 GRAD(Rho)y -0.2400835E-17 GRAD(Rho)z 0.2264678E-17 Laplacian 0.3449299E-01 (-1/4)Del**2(Rho)) -0.8623247E-02 Diamond 0.9682571E-03 Metallicity 0.7610523E+00 Ellipticity -0.1469215E+01 Gb(Abramov) 0.6842622E-02 Vb(Abramov) -0.5061996E-02 Hb(Abramov) 0.1780625E-02 Ex_ueg -0.1358556E-02 Ec_ueg -0.3176230E-03 Delta_ex -0.1590299E-02 Delta_ec 0.4881845E-03 Delta_et -0.3362242E-02 Pxc 0.4277259E+01 Qxc -0.3257579E+01 3,+1 124 3 -1 -0.507480 -1.757242 -1.726921 Rho 0.4383124E-01 |GRAD(Rho)| 0.1601878E-12 GRAD(Rho)x -0.5010952E-13 GRAD(Rho)y -0.2050036E-13 GRAD(Rho)z -0.1507611E-12 Laplacian 0.1852659E+00 (-1/4)Del**2(Rho)) -0.4631647E-01 Diamond 0.8032387E-01 Metallicity 0.2026706E+01 Ellipticity 0.3048784E-01 Gb(Abramov) 0.4652262E-01 Vb(Abramov) -0.4672877E-01 Hb(Abramov) -0.2061540E-03 Ex_ueg -0.1141380E-01 Ec_ueg -0.2076838E-02 Delta_ex -0.1484725E-01 Delta_ec 0.5690649E-02 Delta_et -0.5798819E-01 Pxc 0.5495758E+01 Qxc -0.2609060E+01 3,-1 125 3 -1 -0.464057 0.475636 0.439661 Rho 0.1842533E+00 |GRAD(Rho)| 0.4035759E-15 GRAD(Rho)x -0.3816392E-16 GRAD(Rho)y 0.3226586E-15 GRAD(Rho)z 0.2393918E-15 Laplacian 0.4990310E+00 (-1/4)Del**2(Rho)) -0.1247577E+00 Diamond 0.1322147E+01 Metallicity 0.8238432E+01 Ellipticity 0.3966376E-02 Gb(Abramov) 0.2544732E+00 Vb(Abramov) -0.3841886E+00 Hb(Abramov) -0.1297154E+00 Ex_ueg -0.7743527E-01 Ec_ueg -0.1067121E-01 Delta_ex -0.5661710E-01 Delta_ec 0.1238255E-01 Delta_et -0.1701121E+00 Pxc 0.7256464E+01 Qxc -0.4572328E+01 3,-1 126 3 +1 0.540672 0.542227 1.642356 Rho 0.8500899E-02 |GRAD(Rho)| 0.9519967E-17 GRAD(Rho)x 0.8014904E-17 GRAD(Rho)y -0.5099386E-17 GRAD(Rho)z 0.6223773E-18 Laplacian 0.3283811E-01 (-1/4)Del**2(Rho)) -0.8209527E-02 Diamond 0.8654238E-03 Metallicity 0.7430359E+00 Ellipticity -0.1452498E+01 Gb(Abramov) 0.6489680E-02 Vb(Abramov) -0.4769833E-02 Hb(Abramov) 0.1719847E-02 Ex_ueg -0.1281361E-02 Ec_ueg -0.3005482E-03 Delta_ex -0.1495965E-02 Delta_ec 0.4624166E-03 Delta_et -0.3150919E-02 Pxc 0.4263412E+01 Qxc -0.3235103E+01 3,+1 127 3 -1 0.115948 -3.234133 -3.161388 Rho 0.2471249E+00 |GRAD(Rho)| 0.5852393E-14 GRAD(Rho)x 0.3958612E-14 GRAD(Rho)y -0.4280213E-14 GRAD(Rho)z 0.5095750E-15 Laplacian 0.8801796E+00 (-1/4)Del**2(Rho)) -0.2200449E+00 Diamond 0.3242582E+01 Metallicity 0.7619082E+01 Ellipticity 0.4308928E-02 Gb(Abramov) 0.4261200E+00 Vb(Abramov) -0.6321951E+00 Hb(Abramov) -0.2060751E+00 Ex_ueg -0.1145356E+00 Ec_ueg -0.1493303E-01 Delta_ex -0.1072531E+00 Delta_ec 0.1943984E-01 Delta_et -0.2702688E+00 Pxc 0.7669950E+01 Qxc -0.5517178E+01 3,-1 128 3 -1 -0.101985 -3.157661 3.231857 Rho 0.2471667E+00 |GRAD(Rho)| 0.2526952E-15 GRAD(Rho)x 0.1153727E-15 GRAD(Rho)y 0.2068658E-15 GRAD(Rho)z -0.8803722E-16 Laplacian 0.8716466E+00 (-1/4)Del**2(Rho)) -0.2179117E+00 Diamond 0.3219983E+01 Metallicity 0.7695839E+01 Ellipticity 0.4756754E-03 Gb(Abramov) 0.4247766E+00 Vb(Abramov) -0.6316416E+00 Hb(Abramov) -0.2068649E+00 Ex_ueg -0.1145614E+00 Ec_ueg -0.1493593E-01 Delta_ex -0.1062599E+00 Delta_ec 0.1932518E-01 Delta_et -0.2690159E+00 Pxc 0.7670188E+01 Qxc -0.5498520E+01 3,-1 129 3 +1 0.202319 -2.893286 0.194617 Rho 0.5618145E-02 |GRAD(Rho)| 0.7493384E-15 GRAD(Rho)x 0.5809675E-15 GRAD(Rho)y -0.3831600E-16 GRAD(Rho)z 0.4717167E-15 Laplacian 0.2354133E-01 (-1/4)Del**2(Rho)) -0.5885334E-02 Diamond 0.6139667E-03 Metallicity 0.5197211E+00 Ellipticity -0.2637337E+01 Gb(Abramov) 0.4433344E-02 Vb(Abramov) -0.2981355E-02 Hb(Abramov) 0.1451989E-02 Ex_ueg -0.7376363E-03 Ec_ueg -0.1736103E-03 Delta_ex -0.1174904E-02 Delta_ec 0.7012960E-03 Delta_et -0.3960080E-02 Pxc 0.4248805E+01 Qxc -0.1675332E+01 3,+1 130 3 +3 0.040058 2.321584 -0.051660 Rho 0.4665217E-02 |GRAD(Rho)| 0.4152559E-15 GRAD(Rho)x -0.4119183E-15 GRAD(Rho)y -0.4734771E-16 GRAD(Rho)z 0.2278227E-16 Laplacian 0.1927344E-01 (-1/4)Del**2(Rho)) -0.4818359E-02 Diamond 0.1751537E-03 Metallicity 0.4657009E+00 Ellipticity -0.4419174E+00 Gb(Abramov) 0.3586225E-02 Vb(Abramov) -0.2354091E-02 Hb(Abramov) 0.1232134E-02 Ex_ueg -0.5757238E-03 Ec_ueg -0.1325343E-03 Delta_ex -0.7069399E-03 Delta_ec 0.1808068E-03 Delta_et -0.1135178E-02 Pxc 0.4343961E+01 Qxc -0.3909920E+01 3,+3 131 3 -1 -0.513327 1.823138 -2.761851 Rho 0.1272122E+00 |GRAD(Rho)| 0.1005337E-12 GRAD(Rho)x 0.6788019E-13 GRAD(Rho)y 0.7407643E-13 GRAD(Rho)z 0.3463408E-14 Laplacian 0.5349404E+00 (-1/4)Del**2(Rho)) -0.1337351E+00 Diamond 0.8781447E+00 Metallicity 0.4144981E+01 Ellipticity 0.1150451E-01 Gb(Abramov) 0.1815450E+00 Vb(Abramov) -0.2293548E+00 Hb(Abramov) -0.4780986E-01 Ex_ueg -0.4725236E-01 Ec_ueg -0.7001152E-02 Delta_ex -0.5505258E-01 Delta_ec 0.1387810E-01 Delta_et -0.1797074E+00 Pxc 0.6749226E+01 Qxc -0.3966868E+01 3,-1 132 3 -1 -0.536529 1.736741 1.709530 Rho 0.4599142E-01 |GRAD(Rho)| 0.2208806E-16 GRAD(Rho)x -0.9988848E-17 GRAD(Rho)y -0.9298304E-17 GRAD(Rho)z 0.1736799E-16 Laplacian 0.1862675E+00 (-1/4)Del**2(Rho)) -0.4656687E-01 Diamond 0.8323222E-01 Metallicity 0.2184092E+01 Ellipticity 0.1285171E-01 Gb(Abramov) 0.4799563E-01 Vb(Abramov) -0.4942439E-01 Hb(Abramov) -0.1428761E-02 Ex_ueg -0.1216991E-01 Ec_ueg -0.2194522E-02 Delta_ex -0.1496320E-01 Delta_ec 0.5463005E-02 Delta_et -0.5633541E-01 Pxc 0.5545586E+01 Qxc -0.2739005E+01 3,-1 133 3 -1 0.514680 -1.705864 1.754058 Rho 0.4024071E-01 |GRAD(Rho)| 0.3289951E-15 GRAD(Rho)x -0.1408216E-15 GRAD(Rho)y -0.2446280E-15 GRAD(Rho)z 0.1690095E-15 Laplacian 0.1674247E+00 (-1/4)Del**2(Rho)) -0.4185618E-01 Diamond 0.6472201E-01 Metallicity 0.1944925E+01 Ellipticity 0.3869082E-01 Gb(Abramov) 0.4147198E-01 Vb(Abramov) -0.4108778E-01 Hb(Abramov) 0.3842033E-03 Ex_ueg -0.1018449E-01 Ec_ueg -0.1882981E-02 Delta_ex -0.1314254E-01 Delta_ec 0.5155129E-02 Delta_et -0.5133487E-01 Pxc 0.5408705E+01 Qxc -0.2549410E+01 3,-1 134 3 +3 0.003397 -2.309152 -0.012495 Rho 0.4826373E-02 |GRAD(Rho)| 0.5591599E-15 GRAD(Rho)x 0.5519717E-15 GRAD(Rho)y 0.8124040E-16 GRAD(Rho)z 0.3724254E-16 Laplacian 0.1989796E-01 (-1/4)Del**2(Rho)) -0.4974489E-02 Diamond 0.1886104E-03 Metallicity 0.4773528E+00 Ellipticity -0.3778041E+00 Gb(Abramov) 0.3712090E-02 Vb(Abramov) -0.2449692E-02 Hb(Abramov) 0.1262399E-02 Ex_ueg -0.6023925E-03 Ec_ueg -0.1394486E-03 Delta_ex -0.7354799E-03 Delta_ec 0.1853570E-03 Delta_et -0.1175063E-02 Pxc 0.4319818E+01 Qxc -0.3967910E+01 3,+3 135 3 -1 0.833625 -2.944034 2.015722 Rho 0.9624562E-01 |GRAD(Rho)| 0.5665412E-14 GRAD(Rho)x -0.3844049E-14 GRAD(Rho)y 0.2273557E-14 GRAD(Rho)z 0.3485846E-14 Laplacian 0.3828939E+00 (-1/4)Del**2(Rho)) -0.9572348E-01 Diamond 0.4536136E+00 Metallicity 0.3637779E+01 Ellipticity 0.3360641E-01 Gb(Abramov) 0.1218525E+00 Vb(Abramov) -0.1479814E+00 Hb(Abramov) -0.2612898E-01 Ex_ueg -0.3257564E-01 Ec_ueg -0.5098192E-02 Delta_ex -0.3696391E-01 Delta_ec 0.1073130E-01 Delta_et -0.1322430E+00 Pxc 0.6389647E+01 Qxc -0.3444495E+01 3,-1 136 3 +1 1.659619 -0.514874 -0.538611 Rho 0.9624290E-02 |GRAD(Rho)| 0.9330561E-17 GRAD(Rho)x 0.6487174E-17 GRAD(Rho)y 0.3545385E-17 GRAD(Rho)z -0.5692644E-17 Laplacian 0.3822885E-01 (-1/4)Del**2(Rho)) -0.9557214E-02 Diamond 0.1174287E-02 Metallicity 0.7849399E+00 Ellipticity -0.1453817E+01 Gb(Abramov) 0.7621782E-02 Vb(Abramov) -0.5686351E-02 Hb(Abramov) 0.1935432E-02 Ex_ueg -0.1511971E-02 Ec_ueg -0.3510396E-03 Delta_ex -0.1790001E-02 Delta_ec 0.5251458E-03 Delta_et -0.3704321E-02 Pxc 0.4307123E+01 Qxc -0.3408579E+01 3,+1 137 3 -1 0.574626 -1.826979 -2.749322 Rho 0.1280543E+00 |GRAD(Rho)| 0.1174091E-14 GRAD(Rho)x -0.3322267E-15 GRAD(Rho)y -0.1121146E-14 GRAD(Rho)z -0.1055776E-15 Laplacian 0.5373583E+00 (-1/4)Del**2(Rho)) -0.1343396E+00 Diamond 0.8878793E+00 Metallicity 0.4171955E+01 Ellipticity 0.4997202E-02 Gb(Abramov) 0.1829695E+00 Vb(Abramov) -0.2315994E+00 Hb(Abramov) -0.4862992E-01 Ex_ueg -0.4766988E-01 Ec_ueg -0.7053854E-02 Delta_ex -0.5537412E-01 Delta_ec 0.1389121E-01 Delta_et -0.1800177E+00 Pxc 0.6757991E+01 Qxc -0.3986270E+01 3,-1 138 3 +3 2.342089 0.042854 0.004229 Rho 0.4804798E-02 |GRAD(Rho)| 0.1791794E-17 GRAD(Rho)x 0.1514562E-18 GRAD(Rho)y -0.1611268E-17 GRAD(Rho)z 0.7690274E-18 Laplacian 0.1988377E-01 (-1/4)Del**2(Rho)) -0.4970943E-02 Diamond 0.1944023E-03 Metallicity 0.4741397E+00 Ellipticity -0.3337817E+00 Gb(Abramov) 0.3706782E-02 Vb(Abramov) -0.2442621E-02 Hb(Abramov) 0.1264161E-02 Ex_ueg -0.5988048E-03 Ec_ueg -0.1385222E-03 Delta_ex -0.7410350E-03 Delta_ec 0.1975849E-03 Delta_et -0.1234276E-02 Pxc 0.4322809E+01 Qxc -0.3750464E+01 3,+3 139 3 -1 0.564558 1.814400 2.772433 Rho 0.1368255E+00 |GRAD(Rho)| 0.1635389E-15 GRAD(Rho)x -0.3332566E-16 GRAD(Rho)y -0.1569789E-15 GRAD(Rho)z -0.3149607E-16 Laplacian 0.5803211E+00 (-1/4)Del**2(Rho)) -0.1450803E+00 Diamond 0.1057693E+01 Metallicity 0.4314099E+01 Ellipticity 0.9616015E-02 Gb(Abramov) 0.2010353E+00 Vb(Abramov) -0.2569903E+00 Hb(Abramov) -0.5595501E-01 Ex_ueg -0.5207244E-01 Ec_ueg -0.7605569E-02 Delta_ex -0.6098901E-01 Delta_ec 0.1515266E-01 Delta_et -0.1991947E+00 Pxc 0.6846620E+01 Qxc -0.4024969E+01 3,-1 140 3 -1 0.556258 2.777120 1.800740 Rho 0.1420821E+00 |GRAD(Rho)| 0.3603646E-13 GRAD(Rho)x -0.2297369E-13 GRAD(Rho)y -0.4860580E-14 GRAD(Rho)z 0.2733516E-13 Laplacian 0.5966701E+00 (-1/4)Del**2(Rho)) -0.1491675E+00 Diamond 0.1131876E+01 Metallicity 0.4467982E+01 Ellipticity 0.1180923E-01 Gb(Abramov) 0.2105246E+00 Vb(Abramov) -0.2718818E+00 Hb(Abramov) -0.6135712E-01 Ex_ueg -0.5475676E-01 Ec_ueg -0.7938600E-02 Delta_ex -0.6322031E-01 Delta_ec 0.1532303E-01 Delta_et -0.2023545E+00 Pxc 0.6897534E+01 Qxc -0.4125837E+01 3,-1 141 3 -1 0.585143 1.733729 -1.761684 Rho 0.4377303E-01 |GRAD(Rho)| 0.1623951E-15 GRAD(Rho)x -0.1647490E-16 GRAD(Rho)y 0.7542108E-16 GRAD(Rho)z -0.1428720E-15 Laplacian 0.1866587E+00 (-1/4)Del**2(Rho)) -0.4666468E-01 Diamond 0.8073718E-01 Metallicity 0.2007132E+01 Ellipticity 0.1957749E-01 Gb(Abramov) 0.4672015E-01 Vb(Abramov) -0.4677562E-01 Hb(Abramov) -0.5546688E-04 Ex_ueg -0.1139359E-01 Ec_ueg -0.2073677E-02 Delta_ex -0.1495165E-01 Delta_ec 0.5729391E-02 Delta_et -0.5836145E-01 Pxc 0.5494390E+01 Qxc -0.2609641E+01 3,-1 142 3 -1 -0.007542 3.194978 -3.230202 Rho 0.2466755E+00 |GRAD(Rho)| 0.1273458E-14 GRAD(Rho)x -0.4807352E-15 GRAD(Rho)y 0.1001206E-14 GRAD(Rho)z -0.6230368E-15 Laplacian 0.8788726E+00 (-1/4)Del**2(Rho)) -0.2197182E+00 Diamond 0.3227938E+01 Metallicity 0.7607301E+01 Ellipticity 0.5901471E-02 Gb(Abramov) 0.4250558E+00 Vb(Abramov) -0.6303935E+00 Hb(Abramov) -0.2053377E+00 Ex_ueg -0.1142580E+00 Ec_ueg -0.1490179E-01 Delta_ex -0.1070287E+00 Delta_ec 0.1939642E-01 Delta_et -0.2695364E+00 Pxc 0.7667397E+01 Qxc -0.5517964E+01 3,-1 143 3 -1 0.044413 3.218051 3.187065 Rho 0.2577472E+00 |GRAD(Rho)| 0.3981524E-13 GRAD(Rho)x -0.6988279E-14 GRAD(Rho)y -0.2822764E-13 GRAD(Rho)z -0.2719591E-13 Laplacian 0.9329045E+00 (-1/4)Del**2(Rho)) -0.2332261E+00 Diamond 0.3584343E+01 Metallicity 0.7710794E+01 Ellipticity 0.1574222E-02 Gb(Abramov) 0.4552105E+00 Vb(Abramov) -0.6771949E+00 Hb(Abramov) -0.2219844E+00 Ex_ueg -0.1211463E+00 Ec_ueg -0.1567454E-01 Delta_ex -0.1147891E+00 Delta_ec 0.2007460E-01 Delta_et -0.2780883E+00 Pxc 0.7728859E+01 Qxc -0.5718128E+01 3,-1 144 3 -1 1.755077 1.731471 -0.526420 Rho 0.4333215E-01 |GRAD(Rho)| 0.1850598E-15 GRAD(Rho)x -0.1078610E-15 GRAD(Rho)y -0.1257666E-15 GRAD(Rho)z -0.8243716E-16 Laplacian 0.1837859E+00 (-1/4)Del**2(Rho)) -0.4594649E-01 Diamond 0.7837165E-01 Metallicity 0.2004401E+01 Ellipticity 0.1329786E-01 Gb(Abramov) 0.4598019E-01 Vb(Abramov) -0.4601389E-01 Hb(Abramov) -0.3370393E-04 Ex_ueg -0.1124084E-01 Ec_ueg -0.2049758E-02 Delta_ex -0.1468275E-01 Delta_ec 0.5638168E-02 Delta_et -0.5727579E-01 Pxc 0.5483984E+01 Qxc -0.2604169E+01 3,-1 145 3 -1 0.486784 -0.469105 0.444919 Rho 0.1825827E+00 |GRAD(Rho)| 0.8473557E-13 GRAD(Rho)x -0.4638651E-13 GRAD(Rho)y 0.5069903E-13 GRAD(Rho)z -0.4957840E-13 Laplacian 0.4934819E+00 (-1/4)Del**2(Rho)) -0.1233705E+00 Diamond 0.1293686E+01 Metallicity 0.8205559E+01 Ellipticity 0.8324752E-02 Gb(Abramov) 0.2509676E+00 Vb(Abramov) -0.3785647E+00 Hb(Abramov) -0.1275971E+00 Ex_ueg -0.7650057E-01 Ec_ueg -0.1056098E-01 Delta_ex -0.5586332E-01 Delta_ec 0.1228038E-01 Delta_et -0.1685572E+00 Pxc 0.7243700E+01 Qxc -0.4548991E+01 3,-1 146 3 +1 0.087803 -0.095095 2.889853 Rho 0.5002215E-02 |GRAD(Rho)| 0.1603085E-13 GRAD(Rho)x 0.1262602E-13 GRAD(Rho)y -0.7909366E-14 GRAD(Rho)z 0.5917225E-14 Laplacian 0.2037724E-01 (-1/4)Del**2(Rho)) -0.5094309E-02 Diamond 0.5111583E-03 Metallicity 0.4947721E+00 Ellipticity -0.7100228E+01 Gb(Abramov) 0.3816293E-02 Vb(Abramov) -0.2538277E-02 Hb(Abramov) 0.1278016E-02 Ex_ueg -0.6318319E-03 Ec_ueg -0.1470081E-03 Delta_ex -0.1046331E-02 Delta_ec 0.7007758E-03 Delta_et -0.3782409E-02 Pxc 0.4297939E+01 Qxc -0.1493103E+01 3,+1 147 3 -1 -0.607822 -1.785029 2.814006 Rho 0.1571329E+00 |GRAD(Rho)| 0.1146202E-12 GRAD(Rho)x 0.1803608E-13 GRAD(Rho)y -0.7614113E-13 GRAD(Rho)z -0.8375565E-13 Laplacian 0.6635723E+00 (-1/4)Del**2(Rho)) -0.1658931E+00 Diamond 0.1395223E+01 Metallicity 0.4751565E+01 Ellipticity 0.2804817E-01 Gb(Abramov) 0.2419707E+00 Vb(Abramov) -0.3180483E+00 Hb(Abramov) -0.7607759E-01 Ex_ueg -0.6262405E-01 Ec_ueg -0.8901673E-02 Delta_ex -0.7183270E-01 Delta_ec 0.1619603E-01 Delta_et -0.2158586E+00 Pxc 0.7035087E+01 Qxc -0.4435203E+01 3,-1 148 3 +1 1.069380 -1.372175 2.160588 Rho 0.2745373E-01 |GRAD(Rho)| 0.3543253E-11 GRAD(Rho)x -0.2255369E-11 GRAD(Rho)y -0.9966462E-12 GRAD(Rho)z -0.2544532E-11 Laplacian 0.1098665E+00 (-1/4)Del**2(Rho)) -0.2746664E-01 Diamond 0.1641195E-01 Metallicity 0.1567051E+01 Ellipticity -0.3860036E+01 Gb(Abramov) 0.2548470E-01 Vb(Abramov) -0.2350275E-01 Hb(Abramov) 0.1981941E-02 Ex_ueg -0.6116741E-02 Ec_ueg -0.1213032E-02 Delta_ex -0.7012906E-02 Delta_ec 0.1875500E-02 Delta_et -0.1693408E-01 Pxc 0.5042524E+01 Qxc -0.3739219E+01 3,+1 149 3 -1 0.890971 2.991080 -2.023182 Rho 0.1462128E+00 |GRAD(Rho)| 0.1860031E-15 GRAD(Rho)x -0.5080842E-16 GRAD(Rho)y -0.1069972E-15 GRAD(Rho)z -0.1434128E-15 Laplacian 0.5694209E+00 (-1/4)Del**2(Rho)) -0.1423552E+00 Diamond 0.1110274E+01 Metallicity 0.4910836E+01 Ellipticity 0.5977514E-01 Gb(Abramov) 0.2114173E+00 Vb(Abramov) -0.2804795E+00 Hb(Abramov) -0.6906211E-01 Ex_ueg -0.5688952E-01 Ec_ueg -0.8201521E-02 Delta_ex -0.6067769E-01 Delta_ec 0.1437818E-01 Delta_et -0.1903537E+00 Pxc 0.6936459E+01 Qxc -0.4220123E+01 3,-1 150 3 +1 1.732597 -1.742355 -1.720108 Rho 0.1242311E-01 |GRAD(Rho)| 0.1270565E-16 GRAD(Rho)x -0.7225397E-17 GRAD(Rho)y -0.1054217E-17 GRAD(Rho)z -0.1039788E-16 Laplacian 0.6303886E-01 (-1/4)Del**2(Rho)) -0.1575972E-01 Diamond 0.2646606E-02 Metallicity 0.7284318E+00 Ellipticity -0.1247564E+01 Gb(Abramov) 0.1241979E-01 Vb(Abramov) -0.9079865E-02 Hb(Abramov) 0.3339926E-02 Ex_ueg -0.2125000E-02 Ec_ueg -0.4791365E-03 Delta_ex -0.3126483E-02 Delta_ec 0.8170894E-03 Delta_et -0.6179739E-02 Pxc 0.4435063E+01 Qxc -0.3826366E+01 3,+1 151 3 +1 1.688765 0.541193 0.525010 Rho 0.8629830E-02 |GRAD(Rho)| 0.9860928E-17 GRAD(Rho)x 0.7606687E-17 GRAD(Rho)y 0.2901022E-18 GRAD(Rho)z 0.6268338E-17 Laplacian 0.3346719E-01 (-1/4)Del**2(Rho)) -0.8366798E-02 Diamond 0.9017454E-03 Metallicity 0.7475914E+00 Ellipticity -0.1456304E+01 Gb(Abramov) 0.6620356E-02 Vb(Abramov) -0.4873915E-02 Hb(Abramov) 0.1746442E-02 Ex_ueg -0.1307338E-02 Ec_ueg -0.3063150E-03 Delta_ex -0.1531098E-02 Delta_ec 0.4724463E-03 Delta_et -0.3230802E-02 Pxc 0.4267955E+01 Qxc -0.3240787E+01 3,+1 152 3 -1 1.807310 -0.564273 -2.753418 Rho 0.1442876E+00 |GRAD(Rho)| 0.3363153E-12 GRAD(Rho)x -0.2458165E-12 GRAD(Rho)y -0.2166879E-12 GRAD(Rho)z -0.7568730E-13 Laplacian 0.6061869E+00 (-1/4)Del**2(Rho)) -0.1515467E+00 Diamond 0.1169565E+01 Metallicity 0.4512200E+01 Ellipticity 0.9509999E-02 Gb(Abramov) 0.2149993E+00 Vb(Abramov) -0.2784519E+00 Hb(Abramov) -0.6345261E-01 Ex_ueg -0.5589296E-01 Ec_ueg -0.8078847E-02 Delta_ex -0.6445158E-01 Delta_ec 0.1547430E-01 Delta_et -0.2047392E+00 Pxc 0.6918432E+01 Qxc -0.4165074E+01 3,-1 153 3 -1 0.488080 0.471687 -0.493409 Rho 0.1892828E+00 |GRAD(Rho)| 0.2953313E-15 GRAD(Rho)x 0.1873501E-15 GRAD(Rho)y 0.6591949E-16 GRAD(Rho)z 0.2185752E-15 Laplacian 0.5302922E+00 (-1/4)Del**2(Rho)) -0.1325731E+00 Diamond 0.1446009E+01 Metallicity 0.8108672E+01 Ellipticity 0.2205946E-02 Gb(Abramov) 0.2675473E+00 Vb(Abramov) -0.4025215E+00 Hb(Abramov) -0.1349742E+00 Ex_ueg -0.8026629E-01 Ec_ueg -0.1100404E-01 Delta_ex -0.6053495E-01 Delta_ec 0.1299831E-01 Delta_et -0.1788791E+00 Pxc 0.7294258E+01 Qxc -0.4657140E+01 3,-1 154 3 +1 1.754193 1.751959 1.735914 Rho 0.1230347E-01 |GRAD(Rho)| 0.3518072E-13 GRAD(Rho)x -0.2826579E-13 GRAD(Rho)y 0.1418040E-13 GRAD(Rho)z 0.1541573E-13 Laplacian 0.6252290E-01 (-1/4)Del**2(Rho)) -0.1563073E-01 Diamond 0.2595837E-02 Metallicity 0.7226924E+00 Ellipticity -0.1243359E+01 Gb(Abramov) 0.1230319E-01 Vb(Abramov) -0.8975644E-02 Hb(Abramov) 0.3327541E-02 Ex_ueg -0.2097757E-02 Ec_ueg -0.4735964E-03 Delta_ex -0.3094510E-02 Delta_ec 0.8131547E-03 Delta_et -0.6133400E-02 Pxc 0.4429420E+01 Qxc -0.3805561E+01 3,+1 155 3 -1 0.906872 1.989061 -3.034979 Rho 0.1440533E+00 |GRAD(Rho)| 0.2564310E-15 GRAD(Rho)x 0.7677507E-16 GRAD(Rho)y -0.1967285E-15 GRAD(Rho)z -0.1454661E-15 Laplacian 0.5634574E+00 (-1/4)Del**2(Rho)) -0.1408644E+00 Diamond 0.1080346E+01 Metallicity 0.4841248E+01 Ellipticity 0.5777591E-01 Gb(Abramov) 0.2075694E+00 Vb(Abramov) -0.2742745E+00 Hb(Abramov) -0.6670508E-01 Ex_ueg -0.5577196E-01 Ec_ueg -0.8063931E-02 Delta_ex -0.5983567E-01 Delta_ec 0.1430186E-01 Delta_et -0.1889914E+00 Pxc 0.6916225E+01 Qxc -0.4183769E+01 3,-1 156 3 +1 1.392859 2.171017 -1.092259 Rho 0.2765641E-01 |GRAD(Rho)| 0.2659542E-15 GRAD(Rho)x 0.1917499E-15 GRAD(Rho)y 0.1255382E-15 GRAD(Rho)z 0.1349213E-15 Laplacian 0.1121277E+00 (-1/4)Del**2(Rho)) -0.2803192E-01 Diamond 0.1729566E-01 Metallicity 0.1554390E+01 Ellipticity -0.4276487E+01 Gb(Abramov) 0.2595004E-01 Vb(Abramov) -0.2386815E-01 Hb(Abramov) 0.2081885E-02 Ex_ueg -0.6177026E-02 Ec_ueg -0.1223368E-02 Delta_ex -0.7207018E-02 Delta_ec 0.1977717E-02 Delta_et -0.1787880E-01 Pxc 0.5049196E+01 Qxc -0.3644111E+01 3,+1 157 3 -1 1.735455 -1.715658 0.550003 Rho 0.5498589E-01 |GRAD(Rho)| 0.2771925E-15 GRAD(Rho)x 0.1674482E-15 GRAD(Rho)y -0.2068675E-15 GRAD(Rho)z -0.7747641E-16 Laplacian 0.2244666E+00 (-1/4)Del**2(Rho)) -0.5611666E-01 Diamond 0.1250637E+00 Metallicity 0.2440882E+01 Ellipticity 0.1811019E-01 Gb(Abramov) 0.6024013E-01 Vb(Abramov) -0.6436360E-01 Hb(Abramov) -0.4123471E-02 Ex_ueg -0.1544259E-01 Ec_ueg -0.2692274E-02 Delta_ex -0.1875765E-01 Delta_ec 0.6383705E-02 Delta_et -0.6888232E-01 Pxc 0.5735890E+01 Qxc -0.2938365E+01 3,-1 158 3 +1 0.979838 -2.147040 1.491710 Rho 0.2689450E-01 |GRAD(Rho)| 0.6785674E-13 GRAD(Rho)x -0.4681798E-13 GRAD(Rho)y -0.2067279E-14 GRAD(Rho)z 0.4907484E-13 Laplacian 0.1085638E+00 (-1/4)Del**2(Rho)) -0.2714096E-01 Diamond 0.1238497E-01 Metallicity 0.1532382E+01 Ellipticity -0.1901461E+01 Gb(Abramov) 0.2502569E-01 Vb(Abramov) -0.2291042E-01 Hb(Abramov) 0.2115267E-02 Ex_ueg -0.5951178E-02 Ec_ueg -0.1184564E-02 Delta_ex -0.6558662E-02 Delta_ec 0.1258838E-02 Delta_et -0.1141510E-01 Pxc 0.5023939E+01 Qxc -0.5210092E+01 3,+1 159 3 +1 2.883569 0.211806 -0.178102 Rho 0.5338166E-02 |GRAD(Rho)| 0.7587316E-16 GRAD(Rho)x 0.3530062E-17 GRAD(Rho)y 0.4065316E-16 GRAD(Rho)z -0.6396558E-16 Laplacian 0.2247861E-01 (-1/4)Del**2(Rho)) -0.5619654E-02 Diamond 0.5150693E-03 Metallicity 0.4998394E+00 Ellipticity -0.1991037E+01 Gb(Abramov) 0.4214590E-02 Vb(Abramov) -0.2809526E-02 Hb(Abramov) 0.1405064E-02 Ex_ueg -0.6890349E-03 Ec_ueg -0.1614944E-03 Delta_ex -0.1083082E-02 Delta_ec 0.6206995E-03 Delta_et -0.3472735E-02 Pxc 0.4266618E+01 Qxc -0.1744937E+01 3,+1 160 3 -1 1.739646 -0.523293 1.734965 Rho 0.4458656E-01 |GRAD(Rho)| 0.4350215E-16 GRAD(Rho)x 0.6299808E-17 GRAD(Rho)y 0.3005125E-16 GRAD(Rho)z 0.3081675E-16 Laplacian 0.1800754E+00 (-1/4)Del**2(Rho)) -0.4501884E-01 Diamond 0.7700682E-01 Metallicity 0.2145353E+01 Ellipticity 0.1563796E-01 Gb(Abramov) 0.4610944E-01 Vb(Abramov) -0.4720005E-01 Hb(Abramov) -0.1090605E-02 Ex_ueg -0.1167679E-01 Ec_ueg -0.2117899E-02 Delta_ex -0.1434690E-01 Delta_ec 0.5270520E-02 Delta_et -0.5390496E-01 Pxc 0.5513386E+01 Qxc -0.2722103E+01 3,-1 161 3 -1 1.811176 0.581280 2.788577 Rho 0.1484257E+00 |GRAD(Rho)| 0.5223652E-15 GRAD(Rho)x -0.1259572E-15 GRAD(Rho)y 0.5042624E-15 GRAD(Rho)z 0.5215012E-16 Laplacian 0.6291782E+00 (-1/4)Del**2(Rho)) -0.1572945E+00 Diamond 0.1259950E+01 Metallicity 0.4557093E+01 Ellipticity 0.9717729E-02 Gb(Abramov) 0.2243307E+00 Vb(Abramov) -0.2913668E+00 Hb(Abramov) -0.6703614E-01 Ex_ueg -0.5804041E-01 Ec_ueg -0.8342811E-02 Delta_ex -0.6740278E-01 Delta_ec 0.1602315E-01 Delta_et -0.2130249E+00 Pxc 0.6956937E+01 Qxc -0.4206588E+01 3,-1 162 3 -1 2.009703 0.845007 -3.005029 Rho 0.1355049E+00 |GRAD(Rho)| 0.5924390E-15 GRAD(Rho)x 0.2509250E-15 GRAD(Rho)y -0.4451192E-15 GRAD(Rho)z 0.2998158E-15 Laplacian 0.5325852E+00 (-1/4)Del**2(Rho)) -0.1331463E+00 Diamond 0.9633070E+00 Metallicity 0.4625396E+01 Ellipticity 0.2805879E-01 Gb(Abramov) 0.1914066E+00 Vb(Abramov) -0.2496669E+00 Hb(Abramov) -0.5826029E-01 Ex_ueg -0.5140337E-01 Ec_ueg -0.7522177E-02 Delta_ex -0.5588486E-01 Delta_ec 0.1401746E-01 Delta_et -0.1841472E+00 Pxc 0.6833576E+01 Qxc -0.3986804E+01 3,-1 163 3 +1 2.177127 1.404885 -1.053655 Rho 0.2898857E-01 |GRAD(Rho)| 0.3214339E-09 GRAD(Rho)x -0.9454843E-10 GRAD(Rho)y -0.2372311E-09 GRAD(Rho)z -0.1951968E-09 Laplacian 0.1177103E+00 (-1/4)Del**2(Rho)) -0.2942756E-01 Diamond 0.1814019E-01 Metallicity 0.1601438E+01 Ellipticity -0.3222675E+01 Gb(Abramov) 0.2747278E-01 Vb(Abramov) -0.2551800E-01 Hb(Abramov) 0.1954784E-02 Ex_ueg -0.6576893E-02 Ec_ueg -0.1291555E-02 Delta_ex -0.7551911E-02 Delta_ec 0.1880156E-02 Delta_et -0.1721450E-01 Pxc 0.5092227E+01 Qxc -0.4016640E+01 3,+1 164 3 -1 1.993000 -2.960546 0.879331 Rho 0.1830881E+00 |GRAD(Rho)| 0.3597739E-14 GRAD(Rho)x 0.4666677E-15 GRAD(Rho)y -0.2940980E-14 GRAD(Rho)z -0.2019055E-14 Laplacian 0.7193536E+00 (-1/4)Del**2(Rho)) -0.1798384E+00 Diamond 0.1853405E+01 Metallicity 0.5655066E+01 Ellipticity 0.5205119E-01 Gb(Abramov) 0.2893920E+00 Vb(Abramov) -0.3989455E+00 Hb(Abramov) -0.1095535E+00 Ex_ueg -0.7678304E-01 Ec_ueg -0.1059431E-01 Delta_ex -0.8119359E-01 Delta_ec 0.1736090E-01 Delta_et -0.2368024E+00 Pxc 0.7247573E+01 Qxc -0.4676809E+01 3,-1 165 3 -1 2.006787 2.984987 -0.844120 Rho 0.1196797E+00 |GRAD(Rho)| 0.2507232E-15 GRAD(Rho)x 0.5192651E-16 GRAD(Rho)y -0.1859644E-15 GRAD(Rho)z 0.1599469E-15 Laplacian 0.4654020E+00 (-1/4)Del**2(Rho)) -0.1163505E+00 Diamond 0.7168858E+00 Metallicity 0.4303471E+01 Ellipticity 0.3285949E-01 Gb(Abramov) 0.1610189E+00 Vb(Abramov) -0.2056872E+00 Hb(Abramov) -0.4466835E-01 Ex_ueg -0.4355911E-01 Ec_ueg -0.6531885E-02 Delta_ex -0.4729214E-01 Delta_ec 0.1241704E-01 Delta_et -0.1594400E+00 Pxc 0.6668688E+01 Qxc -0.3808649E+01 3,-1 166 3 -1 2.751726 -1.793510 -0.503895 Rho 0.1474157E+00 |GRAD(Rho)| 0.4813078E-12 GRAD(Rho)x -0.2312283E-12 GRAD(Rho)y -0.3952925E-12 GRAD(Rho)z 0.1481031E-12 Laplacian 0.6269543E+00 (-1/4)Del**2(Rho)) -0.1567386E+00 Diamond 0.1225600E+01 Metallicity 0.4521509E+01 Ellipticity 0.3266859E-01 Gb(Abramov) 0.2226082E+00 Vb(Abramov) -0.2884778E+00 Hb(Abramov) -0.6586963E-01 Ex_ueg -0.5751441E-01 Ec_ueg -0.8278286E-02 Delta_ex -0.6685188E-01 Delta_ec 0.1563596E-01 Delta_et -0.2068729E+00 Pxc 0.6947622E+01 Qxc -0.4275522E+01 3,-1 167 3 -1 2.788243 0.577522 1.827755 Rho 0.1384528E+00 |GRAD(Rho)| 0.3278904E-15 GRAD(Rho)x -0.9929937E-16 GRAD(Rho)y -0.1490507E-15 GRAD(Rho)z 0.2746555E-15 Laplacian 0.5808042E+00 (-1/4)Del**2(Rho)) -0.1452011E+00 Diamond 0.1070697E+01 Metallicity 0.4396289E+01 Ellipticity 0.1054085E-01 Gb(Abramov) 0.2031917E+00 Vb(Abramov) -0.2611823E+00 Hb(Abramov) -0.5799062E-01 Ex_ueg -0.5289980E-01 Ec_ueg -0.7708475E-02 Delta_ex -0.6118169E-01 Delta_ec 0.1506224E-01 Delta_et -0.1982469E+00 Pxc 0.6862550E+01 Qxc -0.4061926E+01 3,-1 168 3 -1 3.201740 0.078710 3.231682 Rho 0.2581512E+00 |GRAD(Rho)| 0.8602503E-15 GRAD(Rho)x -0.8303904E-15 GRAD(Rho)y -0.2140486E-15 GRAD(Rho)z 0.6830474E-16 Laplacian 0.9311259E+00 (-1/4)Del**2(Rho)) -0.2327815E+00 Diamond 0.3585688E+01 Metallicity 0.7745716E+01 Ellipticity 0.1470199E-02 Gb(Abramov) 0.4556975E+00 Vb(Abramov) -0.6786135E+00 Hb(Abramov) -0.2229160E+00 Ex_ueg -0.1213996E+00 Ec_ueg -0.1570287E-01 Delta_ex -0.1146244E+00 Delta_ec 0.2003893E-01 Delta_et -0.2776590E+00 Pxc 0.7731045E+01 Qxc -0.5720087E+01 3,-1 169 3 -1 2.794641 1.816144 0.581704 Rho 0.1366553E+00 |GRAD(Rho)| 0.3661743E-15 GRAD(Rho)x -0.1511886E-15 GRAD(Rho)y 0.1662217E-15 GRAD(Rho)z -0.2891296E-15 Laplacian 0.5771160E+00 (-1/4)Del**2(Rho)) -0.1442790E+00 Diamond 0.1031340E+01 Metallicity 0.4329068E+01 Ellipticity 0.1330732E-01 Gb(Abramov) 0.2002849E+00 Vb(Abramov) -0.2562909E+00 Hb(Abramov) -0.5600593E-01 Ex_ueg -0.5198610E-01 Ec_ueg -0.7594816E-02 Delta_ex -0.6042024E-01 Delta_ec 0.1469210E-01 Delta_et -0.1923408E+00 Pxc 0.6844945E+01 Qxc -0.4112431E+01 3,-1 170 3 -1 3.205622 3.198252 0.081054 Rho 0.2465094E+00 |GRAD(Rho)| 0.4354381E-15 GRAD(Rho)x 0.2439455E-16 GRAD(Rho)y 0.4297235E-15 GRAD(Rho)z -0.6594660E-16 Laplacian 0.8749850E+00 (-1/4)Del**2(Rho)) -0.2187462E+00 Diamond 0.3214663E+01 Metallicity 0.7632528E+01 Ellipticity 0.5216207E-03 Gb(Abramov) 0.4240953E+00 Vb(Abramov) -0.6294443E+00 Hb(Abramov) -0.2053490E+00 Ex_ueg -0.1141554E+00 Ec_ueg -0.1489025E-01 Delta_ex -0.1065551E+00 Delta_ec 0.1934761E-01 Delta_et -0.2690028E+00 Pxc 0.7666452E+01 Qxc -0.5507402E+01 3,-1 171 3 -1 2.994297 1.994026 -0.841624 Rho 0.1282704E+00 |GRAD(Rho)| 0.2161484E-15 GRAD(Rho)x -0.2030440E-15 GRAD(Rho)y 0.6863000E-16 GRAD(Rho)z -0.2798597E-16 Laplacian 0.5000140E+00 (-1/4)Del**2(Rho)) -0.1250035E+00 Diamond 0.8352343E+00 Metallicity 0.4496160E+01 Ellipticity 0.4035604E-01 Gb(Abramov) 0.1770083E+00 Vb(Abramov) -0.2290131E+00 Hb(Abramov) -0.5200478E-01 Ex_ueg -0.4777716E-01 Ec_ueg -0.7067383E-02 Delta_ex -0.5163745E-01 Delta_ec 0.1308239E-01 Delta_et -0.1698832E+00 Pxc 0.6760233E+01 Qxc -0.3947097E+01 3,-1 172 3 -1 3.227217 -3.199690 -0.019346 Rho 0.1798572E+00 |GRAD(Rho)| 0.8123902E-15 GRAD(Rho)x -0.6855139E-15 GRAD(Rho)y 0.3889846E-15 GRAD(Rho)z 0.1968234E-15 Laplacian 0.6988181E+00 (-1/4)Del**2(Rho)) -0.1747045E+00 Diamond 0.1786828E+01 Metallicity 0.5651047E+01 Ellipticity 0.1157118E+00 Gb(Abramov) 0.2810136E+00 Vb(Abramov) -0.3873226E+00 Hb(Abramov) -0.1063091E+00 Ex_ueg -0.7498175E-01 Ec_ueg -0.1038148E-01 Delta_ex -0.7871379E-01 Delta_ec 0.1728572E-01 Delta_et -0.2363571E+00 Pxc 0.7222645E+01 Qxc -0.4553689E+01 3,-1 173 3 -1 2.765143 -0.569341 -1.768264 Rho 0.1347896E+00 |GRAD(Rho)| 0.7052721E-14 GRAD(Rho)x -0.8052268E-15 GRAD(Rho)y 0.4546914E-14 GRAD(Rho)z -0.5330859E-14 Laplacian 0.5626833E+00 (-1/4)Del**2(Rho)) -0.1406708E+00 Diamond 0.1011526E+01 Metallicity 0.4339535E+01 Ellipticity 0.2106054E-01 Gb(Abramov) 0.1955216E+00 Vb(Abramov) -0.2503723E+00 Hb(Abramov) -0.5485073E-01 Ex_ueg -0.5104192E-01 Ec_ueg -0.7477061E-02 Delta_ex -0.5897024E-01 Delta_ec 0.1483318E-01 Delta_et -0.1947088E+00 Pxc 0.6826469E+01 Qxc -0.3975563E+01 3,-1 174 3 -1 2.984911 -1.958539 0.886279 Rho 0.1560941E+00 |GRAD(Rho)| 0.2706676E-15 GRAD(Rho)x -0.2131813E-15 GRAD(Rho)y -0.6898236E-16 GRAD(Rho)z -0.1518425E-15 Laplacian 0.6063922E+00 (-1/4)Del**2(Rho)) -0.1515981E+00 Diamond 0.1290802E+01 Metallicity 0.5142454E+01 Ellipticity 0.3359872E-01 Gb(Abramov) 0.2309964E+00 Vb(Abramov) -0.3103947E+00 Hb(Abramov) -0.7939832E-01 Ex_ueg -0.6207267E-01 Ec_ueg -0.8834760E-02 Delta_ex -0.6577960E-01 Delta_ec 0.1526263E-01 Delta_et -0.2043481E+00 Pxc 0.7025960E+01 Qxc -0.4309847E+01 3,-1 175 3 -1 2.995881 -0.831036 2.004508 Rho 0.1339339E+00 |GRAD(Rho)| 0.1518170E-12 GRAD(Rho)x -0.3631325E-14 GRAD(Rho)y 0.1449643E-12 GRAD(Rho)z 0.4495057E-13 Laplacian 0.5349182E+00 (-1/4)Del**2(Rho)) -0.1337296E+00 Diamond 0.9527098E+00 Metallicity 0.4516581E+01 Ellipticity 0.3952658E-01 Gb(Abramov) 0.1898198E+00 Vb(Abramov) -0.2459100E+00 Hb(Abramov) -0.5609021E-01 Ex_ueg -0.5061031E-01 Ec_ueg -0.7423125E-02 Delta_ex -0.5595600E-01 Delta_ec 0.1409024E-01 Delta_et -0.1847056E+00 Pxc 0.6817924E+01 Qxc -0.3971260E+01 3,-1 176 3 -1 3.916623 -4.437937 0.095211 Rho 0.3250032E+00 |GRAD(Rho)| 0.2892780E-13 GRAD(Rho)x -0.2865853E-13 GRAD(Rho)y 0.3911906E-14 GRAD(Rho)z 0.4511111E-15 Laplacian -0.1821284E+01 (-1/4)Del**2(Rho)) 0.4553210E+00 Diamond 0.6341859E+01 Metallicity -0.5812750E+01 Ellipticity 0.2627473E-02 Gb(Abramov) 0.1375639E+00 Vb(Abramov) -0.7304487E+00 Hb(Abramov) -0.5928849E+00 Ex_ueg -0.1650322E+00 Ec_ueg -0.2051363E-01 Delta_ex 0.1829840E+00 Delta_ec 0.6263688E-01 Delta_et -0.1499701E+01 Pxc 0.8045002E+01 Qxc 0.2921346E+01 3,-1 177 3 -1 -2.726533 0.530929 -1.815159 Rho 0.8562220E-01 |GRAD(Rho)| 0.1229598E-15 GRAD(Rho)x -0.8641430E-17 GRAD(Rho)y 0.1080170E-15 GRAD(Rho)z 0.5810985E-16 Laplacian 0.3488710E+00 (-1/4)Del**2(Rho)) -0.8721776E-01 Diamond 0.3600435E+00 Metallicity 0.3285430E+01 Ellipticity 0.2145098E-01 Gb(Abramov) 0.1059031E+00 Vb(Abramov) -0.1245885E+00 Hb(Abramov) -0.1868538E-01 Ex_ueg -0.2787192E-01 Ec_ueg -0.4462667E-02 Delta_ex -0.3281106E-01 Delta_ec 0.1007194E-01 Delta_et -0.1211561E+00 Pxc 0.6245574E+01 Qxc -0.3257671E+01 3,-1 178 3 -1 -2.000248 0.877017 2.993710 Rho 0.1455604E+00 |GRAD(Rho)| 0.4760384E-15 GRAD(Rho)x 0.3443697E-16 GRAD(Rho)y 0.4655158E-15 GRAD(Rho)z 0.9339046E-16 Laplacian 0.5730777E+00 (-1/4)Del**2(Rho)) -0.1432694E+00 Diamond 0.1124702E+01 Metallicity 0.4843268E+01 Ellipticity 0.3108283E-01 Gb(Abramov) 0.2111616E+00 Vb(Abramov) -0.2790539E+00 Hb(Abramov) -0.6789222E-01 Ex_ueg -0.5655132E-01 Ec_ueg -0.8159925E-02 Delta_ex -0.6113809E-01 Delta_ec 0.1473246E-01 Delta_et -0.1954699E+00 Pxc 0.6930373E+01 Qxc -0.4149890E+01 3,-1 179 3 -1 -0.002800 -0.004744 2.894019 Rho 0.5005209E-02 |GRAD(Rho)| 0.9740489E-13 GRAD(Rho)x 0.9415665E-13 GRAD(Rho)y 0.1368849E-13 GRAD(Rho)z 0.2085334E-13 Laplacian 0.2015990E-01 (-1/4)Del**2(Rho)) -0.5039975E-02 Diamond 0.5331618E-03 Metallicity 0.5006049E+00 Ellipticity 0.1170008E+02 Gb(Abramov) 0.3780489E-02 Vb(Abramov) -0.2521004E-02 Hb(Abramov) 0.1259486E-02 Ex_ueg -0.6323361E-03 Ec_ueg -0.1471370E-03 Delta_ex -0.1060368E-02 Delta_ec 0.7380826E-03 Delta_et -0.3967917E-02 Pxc 0.4297602E+01 Qxc -0.1436653E+01 3,-1 180 3 -1 1.809057 -2.760969 -0.511864 Rho 0.1461231E+00 |GRAD(Rho)| 0.3622444E-15 GRAD(Rho)x 0.2691261E-15 GRAD(Rho)y 0.1823289E-15 GRAD(Rho)z 0.1598385E-15 Laplacian 0.6104460E+00 (-1/4)Del**2(Rho)) -0.1526115E+00 Diamond 0.1191931E+01 Metallicity 0.4576122E+01 Ellipticity 0.2386538E-01 Gb(Abramov) 0.2181358E+00 Vb(Abramov) -0.2836601E+00 Hb(Abramov) -0.6552430E-01 Ex_ueg -0.5684301E-01 Ec_ueg -0.8195803E-02 Delta_ex -0.6506575E-01 Delta_ec 0.1546323E-01 Delta_et -0.2048062E+00 Pxc 0.6935624E+01 Qxc -0.4207771E+01 3,-1 181 3 -1 1.817582 2.771708 0.568629 Rho 0.1312890E+00 |GRAD(Rho)| 0.2357855E-15 GRAD(Rho)x 0.1347934E-15 GRAD(Rho)y -0.1927373E-15 GRAD(Rho)z -0.1666961E-16 Laplacian 0.5536827E+00 (-1/4)Del**2(Rho)) -0.1384207E+00 Diamond 0.9437340E+00 Metallicity 0.4220846E+01 Ellipticity 0.6816764E-02 Gb(Abramov) 0.1896558E+00 Vb(Abramov) -0.2408910E+00 Hb(Abramov) -0.5123516E-01 Ex_ueg -0.4928214E-01 Ec_ueg -0.7256729E-02 Delta_ex -0.5741429E-01 Delta_ec 0.1424964E-01 Delta_et -0.1854371E+00 Pxc 0.6791233E+01 Qxc -0.4029174E+01 3,-1 182 3 -1 1.994988 -0.842095 3.003530 Rho 0.1442838E+00 |GRAD(Rho)| 0.9815861E-16 GRAD(Rho)x -0.9107298E-16 GRAD(Rho)y 0.2786400E-16 GRAD(Rho)z 0.2375758E-16 Laplacian 0.5679490E+00 (-1/4)Del**2(Rho)) -0.1419872E+00 Diamond 0.1103621E+01 Metallicity 0.4815780E+01 Ellipticity 0.3482872E-01 Gb(Abramov) 0.2086214E+00 Vb(Abramov) -0.2752555E+00 Hb(Abramov) -0.6663413E-01 Ex_ueg -0.5589101E-01 Ec_ueg -0.8078606E-02 Delta_ex -0.6046814E-01 Delta_ec 0.1464560E-01 Delta_et -0.1940962E+00 Pxc 0.6918397E+01 Qxc -0.4128758E+01 3,-1 183 3 -1 3.218172 -0.096442 -3.164396 Rho 0.2573091E+00 |GRAD(Rho)| 0.7796818E-15 GRAD(Rho)x 0.6401130E-15 GRAD(Rho)y -0.2524023E-15 GRAD(Rho)z -0.3666772E-15 Laplacian 0.9388893E+00 (-1/4)Del**2(Rho)) -0.2347223E+00 Diamond 0.3591288E+01 Metallicity 0.7639951E+01 Ellipticity 0.4760897E-02 Gb(Abramov) 0.4553594E+00 Vb(Abramov) -0.6759964E+00 Hb(Abramov) -0.2206371E+00 Ex_ueg -0.1208718E+00 Ec_ueg -0.1564384E-01 Delta_ex -0.1154317E+00 Delta_ec 0.2013891E-01 Delta_et -0.2786100E+00 Pxc 0.7726483E+01 Qxc -0.5731775E+01 3,-1 184 3 -1 -4.356096 3.749422 -0.784659 Rho 0.3251904E+00 |GRAD(Rho)| 0.8215708E-15 GRAD(Rho)x 0.2524527E-15 GRAD(Rho)y -0.3619075E-16 GRAD(Rho)z -0.7809843E-15 Laplacian -0.1787700E+01 (-1/4)Del**2(Rho)) 0.4469250E+00 Diamond 0.6284348E+01 Metallicity -0.5927633E+01 Ellipticity 0.1520108E-02 Gb(Abramov) 0.1435846E+00 Vb(Abramov) -0.7340941E+00 Hb(Abramov) -0.5905096E+00 Ex_ueg -0.1651589E+00 Ec_ueg -0.2052744E-01 Delta_ex 0.1794545E+00 Delta_ec 0.6183143E-01 Delta_et -0.1479461E+01 Pxc 0.8045760E+01 Qxc 0.2902319E+01 3,-1 185 3 -1 2.993443 0.852292 -1.985245 Rho 0.1449607E+00 |GRAD(Rho)| 0.2384115E-15 GRAD(Rho)x 0.1142478E-16 GRAD(Rho)y -0.2336049E-15 GRAD(Rho)z -0.4624122E-16 Laplacian 0.5706281E+00 (-1/4)Del**2(Rho)) -0.1426570E+00 Diamond 0.1113548E+01 Metallicity 0.4830706E+01 Ellipticity 0.4131577E-01 Gb(Abramov) 0.2099604E+00 Vb(Abramov) -0.2772637E+00 Hb(Abramov) -0.6730334E-01 Ex_ueg -0.5624089E-01 Ec_ueg -0.8121712E-02 Delta_ex -0.6080693E-01 Delta_ec 0.1466934E-01 Delta_et -0.1944825E+00 Pxc 0.6924758E+01 Qxc -0.4145171E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 133 147 115 112 135 128 124 137 122 116 111 127 141 131 117 155 149 142 132 139 140 114 118 143 157 166 180 174 164 172 144 169 181 171 165 170 60 85 104 70 68 77 103 72 100 71 99 67 88 177 97 74 86 81 98 79 93 69 178 63 160 167 161 175 182 168 58 173 152 185 162 183 145 121 153 125 119 179 110 96 176 184 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 21 22 25 26 45 47 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 23 24 27 28 55 54 2.441842 1.867892 1.940638 1.951856 2.075047 1.705962 2.402356 1.951101 1.937704 2.011444 1.922959 1.705715 2.401411 1.952890 2.053022 1.914697 1.910824 1.706392 2.404677 1.946576 1.933234 1.945019 1.941315 1.717033 2.320756 1.918498 1.923426 1.909550 1.846262 1.848005 2.406056 1.923689 1.940057 1.963374 1.991615 1.706863 2.375778 1.824336 1.846415 2.023766 1.948762 1.857267 2.393801 1.928543 1.936177 1.971807 1.983556 1.707507 2.381548 2.114556 1.933230 1.931615 1.881136 1.707674 2.426521 1.941983 2.012350 1.880900 1.934670 1.717357 2.418318 1.943605 1.914716 1.965936 1.939217 1.716519 2.365960 1.955027 1.927547 1.938254 1.963515 1.717537 1.706617 1.686495 1.690134 1.702759 3.265163 3.302554 3.225798 3.221301 0.983206 0.984514 2.443368 1.868324 1.941152 1.952762 2.075554 1.705970 2.404159 1.951617 1.938228 2.012283 1.923792 1.705724 2.403249 1.953454 2.053610 1.915411 1.911633 1.706404 2.406455 1.946934 1.933688 1.945750 1.941730 1.717040 2.322603 1.919111 1.923957 1.910354 1.847094 1.849975 2.407881 1.924199 1.940546 1.964243 1.992559 1.706873 2.377222 1.825202 1.847077 2.024874 1.950081 1.858919 2.395657 1.929008 1.936767 1.972715 1.984426 1.707517 2.383387 2.115169 1.933804 1.932470 1.881738 1.707689 2.428126 1.942426 2.012729 1.881332 1.935353 1.717366 2.419917 1.944016 1.915095 1.966440 1.939911 1.716525 2.367615 1.955462 1.927994 1.938958 1.964191 1.717541 1.706640 1.686496 1.690138 1.702766 3.276200 3.313348 3.240219 3.230744 0.983522 0.984799 32 27 27 29 27 22 30 27 27 27 27 21 30 27 29 25 26 21 31 27 28 27 27 24 27 24 28 28 23 25 27 28 28 27 25 22 27 23 24 24 25 23 30 25 27 25 26 21 27 28 27 25 23 21 31 25 30 25 28 22 27 25 26 27 27 23 27 27 25 28 24 22 24 22 23 23 35 35 35 35 20 21 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Mo Mo Mo W W Mo Mo Mo Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H H 2.4408 2.3987 2.4157 2.5201 2.6462 2.4197 2.5696 2.4023 2.3970 2.5157 2.5333 2.5116 -1.1332 -1.1381 -1.1404 -1.1303 -0.9099 -0.9277 -0.8512 -0.9098 -0.9149 -0.9423 -0.8993 -0.8967 -0.8602 -0.8935 -0.9115 -0.8977 -0.9182 -0.8648 -0.8952 -0.8902 -0.9029 -0.8850 -0.9315 -0.8575 -0.8644 -0.8903 -0.8798 -0.8634 -0.6254 -0.6222 -0.6241 -0.7044 -0.6629 -0.6275 -0.6432 -0.6279 -0.6252 -0.7064 -0.7052 -0.7044 2.4892 0.3103 0.3090 1.9205 1.9144 1.9100 2.0839 2.0679 1.9267 1.9126 1.9149 1.9052 2.0785 2.0755 2.0834 1.9352 1.9400 1.9385 1.9373 1.9413 1.9404 1.9592 1.9409 1.9405 1.9365 1.9447 1.9459 1.9525 1.9453 1.9406 1.9428 1.9527 1.9577 1.9547 1.9532 1.9528 1.9567 1.9506 1.9601 1.9579 1.9549 1.9570 1.9562 1.9927 1.9921 1.9915 1.9808 1.8799 1.9914 1.8856 1.9911 1.9912 1.9802 1.9810 1.9805 0.8087 0.5933 0.5944 6.0346 6.0605 6.0451 6.0843 6.0794 6.0471 6.0148 6.0568 6.0568 6.0805 6.0791 6.0859 5.1585 5.1579 5.1618 5.1537 4.9402 4.9568 4.8629 4.9402 4.9463 4.9749 4.9292 4.9218 4.8791 4.9216 4.9426 4.9256 4.9312 4.8783 4.9096 4.9048 4.9190 4.8959 4.9472 4.8667 4.8777 4.9043 4.8900 4.8782 4.5948 4.5919 4.5946 4.6836 4.7502 4.5982 4.7265 4.5990 4.5960 4.6863 4.6842 4.6840 1.1509 0.0964 0.0966 3.6040 3.6264 3.6292 3.2830 3.1758 3.6066 3.5030 3.6259 3.6411 3.2969 3.2833 3.2906 0.0395 0.0402 0.0402 0.0393 0.0284 0.0305 0.0291 0.0287 0.0281 0.0308 0.0255 0.0290 0.0286 0.0266 0.0284 0.0293 0.0343 0.0288 0.0309 0.0322 0.0311 0.0325 0.0337 0.0308 0.0288 0.0312 0.0329 0.0291 0.0380 0.0381 0.0381 0.0400 0.0328 0.0378 0.0311 0.0378 0.0379 0.0399 0.0401 0.0400 10.5512 0.0000 0.0000 0.0000 0.0000 0.0000 14.0287 14.0306 0.0000 0.0000 0.0000 0.0000 14.0285 14.0287 14.0286 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Mo Mo Mo W W Mo Mo Mo Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As H H 3.179646 3.183458 3.180477 2.528188 2.579194 3.185362 3.208034 3.184245 3.175398 2.522480 2.527312 2.525273 -1.127639 -1.218271 -1.177529 -1.131844 -1.040685 -0.910476 -1.097827 -1.043418 -1.043215 -0.925382 -1.158461 -1.046630 -1.121804 -1.154800 -1.040351 -1.028900 -0.880619 -1.100942 -0.993005 -0.973623 -1.003141 -0.997806 -0.893508 -1.097222 -1.099250 -0.984928 -0.941690 -1.101031 -0.887372 -0.882998 -0.883764 -0.720368 -0.484266 -0.890591 -0.627975 -0.889327 -0.884436 -0.722685 -0.720878 -0.719838 2.325523 0.167072 0.176833 2.383567 2.389990 2.399335 1.966347 1.852482 2.384389 2.218767 2.392364 2.397370 1.974498 1.965657 1.968833 -0.811711 -0.945083 -0.887130 -0.813940 -0.788051 -0.650141 -0.835184 -0.793555 -0.793176 -0.693798 -0.894522 -0.805744 -0.847866 -0.889286 -0.789768 -0.758086 -0.680076 -0.876260 -0.800661 -0.756315 -0.803221 -0.791769 -0.711870 -0.874723 -0.881227 -0.743532 -0.747330 -0.880366 -0.627257 -0.616670 -0.615715 -0.587963 -0.607842 -0.633062 -0.674227 -0.625574 -0.612398 -0.584918 -0.586929 -0.581029 1.684446 0.457147 0.462781 2.456393 2.458504 2.469930 2.052454 2.074646 2.458161 2.578743 2.467507 2.465002 2.059178 2.058989 2.055278 -0.839753 -0.936504 -0.899146 -0.849512 -0.872735 -0.738820 -0.941869 -0.869763 -0.875686 -0.774595 -0.987419 -0.875859 -0.964301 -0.962039 -0.869177 -0.849378 -0.737944 -0.917348 -0.845924 -0.823911 -0.845363 -0.824624 -0.751785 -0.907874 -0.924005 -0.823423 -0.809262 -0.911029 -0.589939 -0.572773 -0.577060 -0.554429 -0.635991 -0.591203 -0.699513 -0.581047 -0.572937 -0.552499 -0.552018 -0.543900 1.668350 0.443462 0.485759 -1.75140977 -3.47461257 -3.39182503 5.16186455 16.51984801 -63.19215520 17.12738937 26.24522401 -15.47554302 -42.76507202 -381.9571 407.4506 -121.5822 -346.8722 -2.0641 -445.0250 Jun12-2024 06:15:01 Nodes: 1 Procs: 1 Jun12-2024 06:15:02 Nodes: 1 Procs: 1 0 Jun12-2024 06:15:05 Nodes: 1 Procs: 1 Jun12-2024 06:15:06 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun12-2024 06:15:09 Nodes: 1 Procs: 1 Jun12-2024 06:15:10 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 06:15:14 Nodes: 1 Procs: 1 Jun12-2024 06:15:15 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 06:15:17 Nodes: 1 Procs: 1 Jun12-2024 06:15:19 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 06:15:23 Nodes: 1 Procs: 5 *** (NO TITLE) *** -1 -15.77702167 -16.19455738 -16.23225679 -16.32882769 -16.34695863 -16.35013753 -16.35152455 -16.35279638 -16.35293708 -16.35305861 -16.35312936 -16.35321464 -16.35329601 -16.35338781 -16.35347760 -16.35360722 -16.35370109 -16.35378204 -16.35387559 -16.35393942 -16.35401045 -16.35403520 -16.35407868 -16.35412714 -16.35416813 -16.35425365 -16.35428919 -16.35433784 -16.35434660 -16.35435753 -16.35434812 -16.35436643 GEOMETRY CONVERGED