ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar02-2024 13:15:20 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.04 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Mar02-2024 13:15:20 Nodes: 1 Procs: 1 Mar02-2024 13:15:20 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar02-2024 13:15:21 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.01 0.81 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 Mar02-2024 13:15:20 Nodes: 1 Procs: 1 Mar02-2024 13:15:20 Nodes: 1 Procs: 1 0 Mar02-2024 13:15:21 Nodes: 1 Procs: 1 Mar02-2024 13:15:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar02-2024 13:15:22 Silicon (TZP, 1s frozen) kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 kimik2197 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.50 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 Mar02-2024 13:15:20 Nodes: 1 Procs: 1 Mar02-2024 13:15:20 Nodes: 1 Procs: 1 0 Mar02-2024 13:15:21 Nodes: 1 Procs: 1 Mar02-2024 13:15:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar02-2024 13:15:22 Nodes: 1 Procs: 1 Mar02-2024 13:15:22 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar02-2024 13:15:24 Silicon (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP 1819.341499999997 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1.840235 2.989824 3.506484 -0.714625 0.083293 0.002810 -0.002856 1.652340 -0.402703 -1.503917 -0.551219 1.503990 0.405506 -0.552383 -1.101743 1.101558 -0.548024 -3.271439 -0.920757 -0.418695 2.768163 -0.934921 1.779078 -1.483150 -0.352522 -3.063559 1.983968 2.205283 1.698555 2.429548 -2.366424 -0.414281 -0.575227 2.863801 1.775784 1.049390 -1.113060 -3.064359 -2.900158 0.615203 1.701941 0.438930 1.460224 -3.061615 -2.193715 -1.931206 1.773606 0.834152 3.296459 -0.421459 0.915638 -2.822707 1.708290 1.530557 0.341895 3.762756 -2.191344 -2.827115 -1.944144 3.909524 1.114905 0.221130 -3.245922 1.371861 -2.037271 -1.058235 1.147116 3.755724 3.546051 -0.484158 -1.939910 -2.921240 2.835001 0.224041 0.434007 -3.497470 -2.037599 -0.997189 -3.941592 0.221401 -1.354837 3.311096 -1.939200 -0.464500 -1.498946 3.763854 2.813228 2.127335 -2.045249 -3.136282 -0.677474 4.182351 1.608433 -5.022424 -0.006012 2.822467 0.589459 -4.419840 -1.293293 5.109105 0.249126 2.154225 -2.386616 4.190436 3.542523 3.912160 -0.016417 -1.923932 2.144803 -4.418893 -3.782033 -3.669686 0.239804 -0.892964 -2.740623 -4.422510 -5.158608 1.118143 -0.008335 0.988932 3.053696 4.183350 5.068753 -1.432323 0.249152 0.000435 -0.000035 -0.000423 1 3 -3 -1.937228 -0.329600 2.988692 Rho 0.1240649E+06 3,-3 2 3 -3 0.928604 -3.449113 -0.220675 Rho 0.1240649E+06 3,-3 3 3 -3 2.142734 0.379289 -2.846240 Rho 0.1240649E+06 3,-3 4 3 -3 -1.133265 3.397472 0.082886 Rho 0.1240648E+06 3,-3 5 3 -3 1.252578 -1.521930 2.998076 Rho 0.1240649E+06 3,-3 6 3 -3 2.519805 2.537787 -0.235105 Rho 0.1240649E+06 3,-3 7 3 -3 -1.401042 1.662313 -2.845228 Rho 0.1240648E+06 3,-3 8 3 -3 -2.379755 -2.674890 0.073885 Rho 0.1240649E+06 3,-3 9 3 -3 -0.735904 -2.046186 -2.849046 Rho 0.1240649E+06 3,-3 10 3 -3 -3.455996 0.921472 -0.221588 Rho 0.1240648E+06 3,-3 11 3 -3 0.695777 1.840235 2.989824 Rho 0.1240649E+06 3,-3 12 3 -3 3.506484 -0.714625 0.083293 Rho 0.1240649E+06 3,-3 13 3 -3 0.002810 -0.002856 1.652340 Rho 0.3186799E+03 3,-3 14 3 -3 -0.402703 -1.503917 -0.551219 Rho 0.3186808E+03 3,-3 15 3 -3 1.503990 0.405506 -0.552383 Rho 0.3186809E+03 3,-3 16 3 -3 -1.101743 1.101558 -0.548024 Rho 0.3186810E+03 3,-3 17 3 -3 -3.271439 -0.920757 -0.418695 Rho 0.3190499E+03 3,-3 18 3 -3 2.768163 -0.934921 1.779078 Rho 0.3190490E+03 3,-3 19 3 -3 -1.483150 -0.352522 -3.063559 Rho 0.3190487E+03 3,-3 20 3 -3 1.983968 2.205283 1.698555 Rho 0.3190514E+03 3,-3 21 3 -3 2.429548 -2.366424 -0.414281 Rho 0.3190513E+03 3,-3 22 3 -3 -0.575227 2.863801 1.775784 Rho 0.3190507E+03 3,-3 23 3 -3 1.049390 -1.113060 -3.064359 Rho 0.3190483E+03 3,-3 24 3 -3 -2.900158 0.615203 1.701941 Rho 0.3190477E+03 3,-3 25 3 -3 0.438930 1.460224 -3.061615 Rho 0.3190484E+03 3,-3 26 3 -3 -2.193715 -1.931206 1.773606 Rho 0.3190472E+03 3,-3 27 3 -3 0.834152 3.296459 -0.421459 Rho 0.3190524E+03 3,-3 28 3 -3 0.915638 -2.822707 1.708290 Rho 0.3190489E+03 3,-3 29 3 -3 1.530557 0.341895 3.762756 Rho 0.3191322E+03 3,-3 30 3 -3 -2.191344 -2.827115 -1.944144 Rho 0.3191311E+03 3,-3 31 3 -3 3.909524 1.114905 0.221130 Rho 0.3191343E+03 3,-3 32 3 -3 -3.245922 1.371861 -2.037271 Rho 0.3191313E+03 3,-3 33 3 -3 -1.058235 1.147116 3.755724 Rho 0.3191331E+03 3,-3 34 3 -3 3.546051 -0.484158 -1.939910 Rho 0.3191331E+03 3,-3 35 3 -3 -2.921240 2.835001 0.224041 Rho 0.3191330E+03 3,-3 36 3 -3 0.434007 -3.497470 -2.037599 Rho 0.3191306E+03 3,-3 37 3 -3 -0.997189 -3.941592 0.221401 Rho 0.3191335E+03 3,-3 38 3 -3 -1.354837 3.311096 -1.939200 Rho 0.3191322E+03 3,-3 39 3 -3 -0.464500 -1.498946 3.763854 Rho 0.3191332E+03 3,-3 40 3 -3 2.813228 2.127335 -2.045249 Rho 0.3191328E+03 3,-3 41 3 -3 -3.136282 -0.677474 4.182351 Rho 0.3194944E+03 3,-3 42 3 -3 1.608433 -5.022424 -0.006012 Rho 0.3194934E+03 3,-3 43 3 -3 2.822467 0.589459 -4.419840 Rho 0.3194946E+03 3,-3 44 3 -3 -1.293293 5.109105 0.249126 Rho 0.3194939E+03 3,-3 45 3 -3 2.154225 -2.386616 4.190436 Rho 0.3194945E+03 3,-3 46 3 -3 3.542523 3.912160 -0.016417 Rho 0.3194940E+03 3,-3 47 3 -3 -1.923932 2.144803 -4.418893 Rho 0.3194942E+03 3,-3 48 3 -3 -3.782033 -3.669686 0.239804 Rho 0.3194937E+03 3,-3 49 3 -3 -0.892964 -2.740623 -4.422510 Rho 0.3194938E+03 3,-3 50 3 -3 -5.158608 1.118143 -0.008335 Rho 0.3194936E+03 3,-3 51 3 -3 0.988932 3.053696 4.183350 Rho 0.3194944E+03 3,-3 52 3 -3 5.068753 -1.432323 0.249152 Rho 0.3194933E+03 3,-3 53 3 -3 0.000435 -0.000035 -0.000423 Rho 0.1943317E+04 3,-3 54 3 +3 -1.742282 -0.466731 0.634616 Rho 0.4871393E-02 |GRAD(Rho)| 0.1210102E-12 GRAD(Rho)x -0.1000914E-12 GRAD(Rho)y -0.6332597E-13 GRAD(Rho)z 0.2479916E-13 Laplacian 0.1903272E-01 (-1/4)Del**2(Rho)) -0.4758181E-02 Diamond 0.1270393E-03 Metallicity 0.5068361E+00 Ellipticity -0.1450901E-01 Gb(Abramov) 0.3574057E-02 Vb(Abramov) -0.2389933E-02 Hb(Abramov) 0.1184124E-02 Ex_ueg -0.6098963E-03 Ec_ueg -0.1413825E-03 Delta_ex -0.6516654E-03 Delta_ec 0.8175878E-04 Delta_et -0.6503931E-03 Pxc 0.4313802E+01 Qxc -0.7970586E+01 3,+3 55 3 -1 -0.947240 -0.167382 2.282240 Rho 0.4847915E-01 |GRAD(Rho)| 0.4926840E-16 GRAD(Rho)x 0.4303097E-16 GRAD(Rho)y 0.9056000E-17 GRAD(Rho)z -0.2221937E-16 Laplacian 0.1897266E+00 (-1/4)Del**2(Rho)) -0.4743164E-01 Diamond 0.9211432E-01 Metallicity 0.2341047E+01 Ellipticity 0.1043132E-01 Gb(Abramov) 0.5012771E-01 Vb(Abramov) -0.5282378E-01 Hb(Abramov) -0.2696067E-02 Ex_ueg -0.1305545E-01 Ec_ueg -0.2330981E-02 Delta_ex -0.1549115E-01 Delta_ec 0.5645727E-02 Delta_et -0.5905145E-01 Pxc 0.5600838E+01 Qxc -0.2743872E+01 3,-1 56 3 +1 -2.359461 -0.384297 -1.691087 Rho 0.5556306E-02 |GRAD(Rho)| 0.7905142E-16 GRAD(Rho)x -0.4555555E-17 GRAD(Rho)y 0.7881695E-16 GRAD(Rho)z 0.4032777E-17 Laplacian 0.2300135E-01 (-1/4)Del**2(Rho)) -0.5750337E-02 Diamond 0.6015404E-03 Metallicity 0.5221999E+00 Ellipticity -0.2966981E+01 Gb(Abramov) 0.4334029E-02 Vb(Abramov) -0.2917721E-02 Hb(Abramov) 0.1416308E-02 Ex_ueg -0.7268307E-03 Ec_ueg -0.1709309E-03 Delta_ex -0.1153908E-02 Delta_ec 0.7003710E-03 Delta_et -0.3935446E-02 Pxc 0.4252190E+01 Qxc -0.1647567E+01 3,+1 57 3 +1 -2.243015 -0.849728 -1.679941 Rho 0.5554278E-02 |GRAD(Rho)| 0.1971391E-12 GRAD(Rho)x 0.2278054E-14 GRAD(Rho)y -0.1944406E-12 GRAD(Rho)z -0.3242643E-13 Laplacian 0.2300621E-01 (-1/4)Del**2(Rho)) -0.5751554E-02 Diamond 0.5999829E-03 Metallicity 0.5217719E+00 Ellipticity -0.2919919E+01 Gb(Abramov) 0.4334536E-02 Vb(Abramov) -0.2917518E-02 Hb(Abramov) 0.1417018E-02 Ex_ueg -0.7264770E-03 Ec_ueg -0.1708431E-03 Delta_ex -0.1152948E-02 Delta_ec 0.6985172E-03 Delta_et -0.3925428E-02 Pxc 0.4252306E+01 Qxc -0.1650564E+01 3,+1 58 3 +1 -2.748012 -0.734782 1.003915 Rho 0.1141094E-01 |GRAD(Rho)| 0.2151055E-14 GRAD(Rho)x -0.3608040E-15 GRAD(Rho)y 0.1935537E-14 GRAD(Rho)z 0.8663452E-15 Laplacian 0.5607886E-01 (-1/4)Del**2(Rho)) -0.1401972E-01 Diamond 0.2104461E-02 Metallicity 0.7106945E+00 Ellipticity -0.1245848E+01 Gb(Abramov) 0.1100710E-01 Vb(Abramov) -0.7994483E-02 Hb(Abramov) 0.3012616E-02 Ex_ueg -0.1897348E-02 Ec_ueg -0.4324446E-03 Delta_ex -0.2722462E-02 Delta_ec 0.7318738E-03 Delta_et -0.5417397E-02 Pxc 0.4387493E+01 Qxc -0.3719852E+01 3,+1 59 3 -1 -2.437616 0.160226 2.291466 Rho 0.1592586E+00 |GRAD(Rho)| 0.2979844E-15 GRAD(Rho)x -0.2579317E-15 GRAD(Rho)y 0.9162864E-16 GRAD(Rho)z 0.1177715E-15 Laplacian 0.6642508E+00 (-1/4)Del**2(Rho)) -0.1660627E+00 Diamond 0.1422896E+01 Metallicity 0.4854219E+01 Ellipticity 0.3210741E-01 Gb(Abramov) 0.2450592E+00 Vb(Abramov) -0.3240558E+00 Hb(Abramov) -0.7899655E-01 Ex_ueg -0.6375619E-01 Ec_ueg -0.9038810E-02 Delta_ex -0.7217941E-01 Delta_ec 0.1621483E-01 Delta_et -0.2166144E+00 Pxc 0.7053604E+01 Qxc -0.4451444E+01 3,-1 60 3 +1 -1.736059 -0.476025 -0.380606 Rho 0.8675958E-02 |GRAD(Rho)| 0.3594724E-14 GRAD(Rho)x 0.6157591E-15 GRAD(Rho)y -0.3538454E-14 GRAD(Rho)z -0.1490914E-15 Laplacian 0.3433280E-01 (-1/4)Del**2(Rho)) -0.8583199E-02 Diamond 0.9173724E-03 Metallicity 0.7352467E+00 Ellipticity -0.1419846E+01 Gb(Abramov) 0.6773927E-02 Vb(Abramov) -0.4964656E-02 Hb(Abramov) 0.1809272E-02 Ex_ueg -0.1316664E-02 Ec_ueg -0.3083800E-03 Delta_ex -0.1566388E-02 Delta_ec 0.4731831E-03 Delta_et -0.3249555E-02 Pxc 0.4269616E+01 Qxc -0.3310321E+01 3,+1 61 3 +1 -1.489648 0.463990 0.968582 Rho 0.8746198E-02 |GRAD(Rho)| 0.6685179E-15 GRAD(Rho)x 0.2496985E-15 GRAD(Rho)y 0.2166304E-15 GRAD(Rho)z -0.5810663E-15 Laplacian 0.3461422E-01 (-1/4)Del**2(Rho)) -0.8653556E-02 Diamond 0.9326438E-03 Metallicity 0.7391355E+00 Ellipticity -0.1420090E+01 Gb(Abramov) 0.6835062E-02 Vb(Abramov) -0.5016569E-02 Hb(Abramov) 0.1818494E-02 Ex_ueg -0.1330896E-02 Ec_ueg -0.3115262E-03 Delta_ex -0.1581380E-02 Delta_ec 0.4751164E-03 Delta_et -0.3271165E-02 Pxc 0.4272181E+01 Qxc -0.3328406E+01 3,+1 62 3 -1 -3.150522 0.756510 0.782657 Rho 0.1068783E+00 |GRAD(Rho)| 0.2722183E-16 GRAD(Rho)x 0.2515518E-16 GRAD(Rho)y 0.1014576E-16 GRAD(Rho)z 0.2303930E-17 Laplacian 0.4428991E+00 (-1/4)Del**2(Rho)) -0.1107248E+00 Diamond 0.5988879E+00 Metallicity 0.3745048E+01 Ellipticity 0.1071222E-01 Gb(Abramov) 0.1429281E+00 Vb(Abramov) -0.1751314E+00 Hb(Abramov) -0.3220333E-01 Ex_ueg -0.3746027E-01 Ec_ueg -0.5743564E-02 Delta_ex -0.4387054E-01 Delta_ec 0.1222576E-01 Delta_et -0.1539231E+00 Pxc 0.6522130E+01 Qxc -0.3588370E+01 3,-1 63 3 -1 -1.154252 -0.940747 3.374967 Rho 0.1080316E+00 |GRAD(Rho)| 0.2253658E-15 GRAD(Rho)x 0.4769812E-16 GRAD(Rho)y -0.3528062E-16 GRAD(Rho)z 0.2174164E-15 Laplacian 0.4204245E+00 (-1/4)Del**2(Rho)) -0.1051061E+00 Diamond 0.5748854E+00 Metallicity 0.4016457E+01 Ellipticity 0.2137385E-01 Gb(Abramov) 0.1404298E+00 Vb(Abramov) -0.1757535E+00 Hb(Abramov) -0.3532367E-01 Ex_ueg -0.3800022E-01 Ec_ueg -0.5814095E-02 Delta_ex -0.4173385E-01 Delta_ec 0.1154951E-01 Delta_et -0.1456676E+00 Pxc 0.6535880E+01 Qxc -0.3613474E+01 3,-1 64 3 -1 -2.306522 -0.615823 -1.688970 Rho 0.5591446E-02 |GRAD(Rho)| 0.2683323E-14 GRAD(Rho)x 0.1012929E-15 GRAD(Rho)y -0.2632595E-14 GRAD(Rho)z -0.5093174E-15 Laplacian 0.2269510E-01 (-1/4)Del**2(Rho)) -0.5673776E-02 Diamond 0.7113314E-03 Metallicity 0.5348367E+00 Ellipticity 0.3364030E+01 Gb(Abramov) 0.4288275E-02 Vb(Abramov) -0.2902773E-02 Hb(Abramov) 0.1385501E-02 Ex_ueg -0.7329661E-03 Ec_ueg -0.1724533E-03 Delta_ex -0.1230161E-02 Delta_ec 0.8520746E-03 Delta_et -0.4730514E-02 Pxc 0.4250231E+01 Qxc -0.1443725E+01 3,-1 65 3 -1 -2.238718 0.998946 -0.375906 Rho 0.4787334E-01 |GRAD(Rho)| 0.4845269E-13 GRAD(Rho)x 0.1867257E-13 GRAD(Rho)y -0.4243940E-13 GRAD(Rho)z -0.1406753E-13 Laplacian 0.1872561E+00 (-1/4)Del**2(Rho)) -0.4681402E-01 Diamond 0.8940899E-01 Metallicity 0.2322737E+01 Ellipticity 0.1059435E-01 Gb(Abramov) 0.4933213E-01 Vb(Abramov) -0.5185023E-01 Hb(Abramov) -0.2518105E-02 Ex_ueg -0.1283837E-01 Ec_ueg -0.2297662E-02 Delta_ex -0.1524283E-01 Delta_ec 0.5575599E-02 Delta_et -0.5812645E-01 Pxc 0.5587583E+01 Qxc -0.2733846E+01 3,-1 66 3 +1 -1.573920 1.585863 1.891755 Rho 0.5638088E-02 |GRAD(Rho)| 0.6826586E-17 GRAD(Rho)x 0.4633270E-17 GRAD(Rho)y 0.4593248E-17 GRAD(Rho)z -0.2009268E-17 Laplacian 0.2336030E-01 (-1/4)Del**2(Rho)) -0.5840076E-02 Diamond 0.6098335E-03 Metallicity 0.5268510E+00 Ellipticity -0.2698258E+01 Gb(Abramov) 0.4406192E-02 Vb(Abramov) -0.2972309E-02 Hb(Abramov) 0.1433884E-02 Ex_ueg -0.7411297E-03 Ec_ueg -0.1744749E-03 Delta_ex -0.1164857E-02 Delta_ec 0.6926198E-03 Delta_et -0.3916599E-02 Pxc 0.4247774E+01 Qxc -0.1681813E+01 3,+1 67 3 +1 -2.072099 1.255044 -1.398859 Rho 0.2653777E-01 |GRAD(Rho)| 0.5490192E-16 GRAD(Rho)x 0.4242488E-16 GRAD(Rho)y -0.5154781E-17 GRAD(Rho)z 0.3446417E-16 Laplacian 0.1018710E+00 (-1/4)Del**2(Rho)) -0.2546774E-01 Diamond 0.1403591E-01 Metallicity 0.1597117E+01 Ellipticity -0.3712677E+01 Gb(Abramov) 0.2375766E-01 Vb(Abramov) -0.2204757E-01 Hb(Abramov) 0.1710086E-02 Ex_ueg -0.5846164E-02 Ec_ueg -0.1166446E-02 Delta_ex -0.6394811E-02 Delta_ec 0.1651836E-02 Delta_et -0.1480894E-01 Pxc 0.5011946E+01 Qxc -0.3871335E+01 3,+1 68 3 -1 -2.357958 1.498494 -2.404662 Rho 0.1078795E+00 |GRAD(Rho)| 0.2744254E-15 GRAD(Rho)x -0.2739237E-15 GRAD(Rho)y -0.1527709E-16 GRAD(Rho)z -0.6461167E-17 Laplacian 0.4186780E+00 (-1/4)Del**2(Rho)) -0.1046695E+00 Diamond 0.5714509E+00 Metallicity 0.4023751E+01 Ellipticity 0.2172299E-01 Gb(Abramov) 0.1399736E+00 Vb(Abramov) -0.1752778E+00 Hb(Abramov) -0.3530416E-01 Ex_ueg -0.3792889E-01 Ec_ueg -0.5804785E-02 Delta_ex -0.4154554E-01 Delta_ec 0.1150311E-01 Delta_et -0.1450409E+00 Pxc 0.6534073E+01 Qxc -0.3611679E+01 3,-1 69 3 +1 -1.788596 1.779894 1.482135 Rho 0.5651222E-02 |GRAD(Rho)| 0.1252379E-15 GRAD(Rho)x -0.4174771E-16 GRAD(Rho)y 0.6368862E-16 GRAD(Rho)z -0.9942542E-16 Laplacian 0.2336529E-01 (-1/4)Del**2(Rho)) -0.5841322E-02 Diamond 0.6189569E-03 Metallicity 0.5287853E+00 Ellipticity -0.2917466E+01 Gb(Abramov) 0.4409016E-02 Vb(Abramov) -0.2976709E-02 Hb(Abramov) 0.1432307E-02 Ex_ueg -0.7434326E-03 Ec_ueg -0.1750443E-03 Delta_ex -0.1171233E-02 Delta_ec 0.7027374E-03 Delta_et -0.3972349E-02 Pxc 0.4247111E+01 Qxc -0.1666673E+01 3,+1 70 3 +1 -1.056621 -1.137057 0.981876 Rho 0.8732694E-02 |GRAD(Rho)| 0.7301401E-17 GRAD(Rho)x -0.1355253E-17 GRAD(Rho)y 0.1917683E-17 GRAD(Rho)z 0.6913483E-17 Laplacian 0.3458617E-01 (-1/4)Del**2(Rho)) -0.8646542E-02 Diamond 0.9310526E-03 Metallicity 0.7378325E+00 Ellipticity -0.1419953E+01 Gb(Abramov) 0.6827644E-02 Vb(Abramov) -0.5008747E-02 Hb(Abramov) 0.1818897E-02 Ex_ueg -0.1328157E-02 Ec_ueg -0.3109211E-03 Delta_ex -0.1579974E-02 Delta_ec 0.4756191E-03 Delta_et -0.3272600E-02 Pxc 0.4271684E+01 Qxc -0.3321932E+01 3,+1 71 3 +3 -1.335381 1.337063 1.344048 Rho 0.4833915E-02 |GRAD(Rho)| 0.5103991E-17 GRAD(Rho)x 0.5556536E-18 GRAD(Rho)y -0.1678819E-17 GRAD(Rho)z 0.4787854E-17 Laplacian 0.2000050E-01 (-1/4)Del**2(Rho)) -0.5000125E-02 Diamond 0.1833149E-03 Metallicity 0.4761428E+00 Ellipticity -0.2770479E+00 Gb(Abramov) 0.3730213E-02 Vb(Abramov) -0.2460300E-02 Hb(Abramov) 0.1269913E-02 Ex_ueg -0.6036479E-03 Ec_ueg -0.1397725E-03 Delta_ex -0.7330874E-03 Delta_ec 0.1747447E-03 Delta_et -0.1124067E-02 Pxc 0.4318789E+01 Qxc -0.4195190E+01 3,+3 72 3 -1 -1.690970 1.692081 1.679045 Rho 0.5688161E-02 |GRAD(Rho)| 0.8269388E-16 GRAD(Rho)x 0.2295862E-16 GRAD(Rho)y -0.7424244E-18 GRAD(Rho)z -0.7943946E-16 Laplacian 0.2304819E-01 (-1/4)Del**2(Rho)) -0.5762047E-02 Diamond 0.7384898E-03 Metallicity 0.5419130E+00 Ellipticity 0.3098138E+01 Gb(Abramov) 0.4361786E-02 Vb(Abramov) -0.2961525E-02 Hb(Abramov) 0.1400261E-02 Ex_ueg -0.7499188E-03 Ec_ueg -0.1766463E-03 Delta_ex -0.1252666E-02 Delta_ec 0.8642863E-03 Delta_et -0.4823796E-02 Pxc 0.4245312E+01 Qxc -0.1449365E+01 3,-1 73 3 -1 -1.496591 -2.452684 -2.351165 Rho 0.1568385E+00 |GRAD(Rho)| 0.1524685E-11 GRAD(Rho)x 0.1162527E-11 GRAD(Rho)y 0.6217147E-12 GRAD(Rho)z -0.7659408E-12 Laplacian 0.6048905E+00 (-1/4)Del**2(Rho)) -0.1512226E+00 Diamond 0.1290106E+01 Metallicity 0.5196260E+01 Ellipticity 0.7218133E-01 Gb(Abramov) 0.2317804E+00 Vb(Abramov) -0.3123382E+00 Hb(Abramov) -0.8055781E-01 Ex_ueg -0.6246767E-01 Ec_ueg -0.8882704E-02 Delta_ex -0.6564809E-01 Delta_ec 0.1512491E-01 Delta_et -0.2024309E+00 Pxc 0.7032506E+01 Qxc -0.4340397E+01 3,-1 74 3 +1 -1.359307 -2.173234 -1.120946 Rho 0.2656445E-01 |GRAD(Rho)| 0.4041111E-15 GRAD(Rho)x -0.3201573E-15 GRAD(Rho)y 0.2119249E-15 GRAD(Rho)z 0.1260671E-15 Laplacian 0.1020503E+00 (-1/4)Del**2(Rho)) -0.2551257E-01 Diamond 0.1413686E-01 Metallicity 0.1596984E+01 Ellipticity -0.3790493E+01 Gb(Abramov) 0.2379891E-01 Vb(Abramov) -0.2208524E-01 Hb(Abramov) 0.1713664E-02 Ex_ueg -0.5854003E-02 Ec_ueg -0.1167800E-02 Delta_ex -0.6413489E-02 Delta_ec 0.1664891E-02 Delta_et -0.1492756E-01 Pxc 0.5012846E+01 Qxc -0.3852197E+01 3,+1 75 3 +1 -0.554052 -2.737500 -0.170457 Rho 0.2656989E-01 |GRAD(Rho)| 0.2138831E-14 GRAD(Rho)x 0.1387925E-14 GRAD(Rho)y -0.8953349E-15 GRAD(Rho)z -0.1358909E-14 Laplacian 0.1018894E+00 (-1/4)Del**2(Rho)) -0.2547235E-01 Diamond 0.1402236E-01 Metallicity 0.1600051E+01 Ellipticity -0.3677046E+01 Gb(Abramov) 0.2377441E-01 Vb(Abramov) -0.2207647E-01 Hb(Abramov) 0.1697942E-02 Ex_ueg -0.5855600E-02 Ec_ueg -0.1168076E-02 Delta_ex -0.6394099E-02 Delta_ec 0.1645068E-02 Delta_et -0.1475390E-01 Pxc 0.5013030E+01 Qxc -0.3886829E+01 3,+1 76 3 +1 -0.649499 -2.445723 1.478992 Rho 0.5624822E-02 |GRAD(Rho)| 0.2814579E-14 GRAD(Rho)x -0.9195879E-15 GRAD(Rho)y -0.1518318E-14 GRAD(Rho)z -0.2184244E-14 Laplacian 0.2333285E-01 (-1/4)Del**2(Rho)) -0.5833212E-02 Diamond 0.6098358E-03 Metallicity 0.5254041E+00 Ellipticity -0.2731495E+01 Gb(Abramov) 0.4399607E-02 Vb(Abramov) -0.2966002E-02 Hb(Abramov) 0.1433605E-02 Ex_ueg -0.7388055E-03 Ec_ueg -0.1738998E-03 Delta_ex -0.1165039E-02 Delta_ec 0.6955570E-03 Delta_et -0.3928864E-02 Pxc 0.4248456E+01 Qxc -0.1674973E+01 3,+1 77 3 +1 -0.927777 -0.236696 -1.569408 Rho 0.8688578E-02 |GRAD(Rho)| 0.7640657E-17 GRAD(Rho)x 0.9757820E-18 GRAD(Rho)y -0.5705614E-17 GRAD(Rho)z 0.4987330E-17 Laplacian 0.3436050E-01 (-1/4)Del**2(Rho)) -0.8590126E-02 Diamond 0.9201379E-03 Metallicity 0.7364356E+00 Ellipticity -0.1421340E+01 Gb(Abramov) 0.6781096E-02 Vb(Abramov) -0.4972067E-02 Hb(Abramov) 0.1809029E-02 Ex_ueg -0.1319218E-02 Ec_ueg -0.3089451E-03 Delta_ex -0.1568322E-02 Delta_ec 0.4737267E-03 Delta_et -0.3254363E-02 Pxc 0.4270074E+01 Qxc -0.3310605E+01 3,+1 78 3 -1 -1.367847 -2.053092 -0.239814 Rho 0.4811606E-01 |GRAD(Rho)| 0.2590814E-14 GRAD(Rho)x -0.8210248E-15 GRAD(Rho)y -0.2341430E-14 GRAD(Rho)z 0.7456149E-15 Laplacian 0.1883263E+00 (-1/4)Del**2(Rho)) -0.4708158E-01 Diamond 0.9054056E-01 Metallicity 0.2329087E+01 Ellipticity 0.9554623E-02 Gb(Abramov) 0.4966390E-01 Vb(Abramov) -0.5224622E-01 Hb(Abramov) -0.2582321E-02 Ex_ueg -0.1292524E-01 Ec_ueg -0.2311004E-02 Delta_ex -0.1534943E-01 Delta_ec 0.5607273E-02 Delta_et -0.5853438E-01 Pxc 0.5592909E+01 Qxc -0.2737414E+01 3,-1 79 3 +1 0.671790 -0.685450 -1.570633 Rho 0.8679760E-02 |GRAD(Rho)| 0.1868596E-15 GRAD(Rho)x 0.1383984E-15 GRAD(Rho)y 0.1193978E-15 GRAD(Rho)z -0.3881444E-16 Laplacian 0.3433120E-01 (-1/4)Del**2(Rho)) -0.8582799E-02 Diamond 0.9174664E-03 Metallicity 0.7358180E+00 Ellipticity -0.1420085E+01 Gb(Abramov) 0.6774429E-02 Vb(Abramov) -0.4966059E-02 Hb(Abramov) 0.1808370E-02 Ex_ueg -0.1317433E-02 Ec_ueg -0.3085502E-03 Delta_ex -0.1566307E-02 Delta_ec 0.4728343E-03 Delta_et -0.3247793E-02 Pxc 0.4269754E+01 Qxc -0.3312591E+01 3,+1 80 3 +1 -0.587935 -2.159584 1.891421 Rho 0.5629217E-02 |GRAD(Rho)| 0.8890722E-15 GRAD(Rho)x 0.6940365E-15 GRAD(Rho)y -0.3446154E-17 GRAD(Rho)z 0.5556535E-15 Laplacian 0.2333705E-01 (-1/4)Del**2(Rho)) -0.5834263E-02 Diamond 0.6127256E-03 Metallicity 0.5259936E+00 Ellipticity -0.2798942E+01 Gb(Abramov) 0.4400973E-02 Vb(Abramov) -0.2967683E-02 Hb(Abramov) 0.1433290E-02 Ex_ueg -0.7395752E-03 Ec_ueg -0.1740903E-03 Delta_ex -0.1167127E-02 Delta_ec 0.6987093E-03 Delta_et -0.3946314E-02 Pxc 0.4248229E+01 Qxc -0.1670404E+01 3,+1 81 3 +3 -1.834124 -0.490928 -1.342706 Rho 0.4772371E-02 |GRAD(Rho)| 0.4778718E-14 GRAD(Rho)x 0.4726247E-14 GRAD(Rho)y 0.5703852E-15 GRAD(Rho)z 0.4164027E-15 Laplacian 0.1974911E-01 (-1/4)Del**2(Rho)) -0.4937277E-02 Diamond 0.1800038E-03 Metallicity 0.4720152E+00 Ellipticity -0.2747947E+00 Gb(Abramov) 0.3679930E-02 Vb(Abramov) -0.2422582E-02 Hb(Abramov) 0.1257347E-02 Ex_ueg -0.5934225E-03 Ec_ueg -0.1371302E-03 Delta_ex -0.7235719E-03 Delta_ec 0.1762848E-03 Delta_et -0.1125098E-02 Pxc 0.4327439E+01 Qxc -0.4104562E+01 3,+3 82 3 +1 0.002458 -0.002115 -3.018788 Rho 0.1141012E-01 |GRAD(Rho)| 0.1866940E-16 GRAD(Rho)x -0.1318059E-16 GRAD(Rho)y -0.1316354E-16 GRAD(Rho)z 0.1240903E-17 Laplacian 0.5607684E-01 (-1/4)Del**2(Rho)) -0.1401921E-01 Diamond 0.2104422E-02 Metallicity 0.7106346E+00 Ellipticity -0.1245642E+01 Gb(Abramov) 0.1100656E-01 Vb(Abramov) -0.7993915E-02 Hb(Abramov) 0.3012647E-02 Ex_ueg -0.1897165E-02 Ec_ueg -0.4324068E-03 Delta_ex -0.2722388E-02 Delta_ec 0.7319827E-03 Delta_et -0.5418000E-02 Pxc 0.4387454E+01 Qxc -0.3719197E+01 3,+1 83 3 +3 1.832164 0.489502 1.337070 Rho 0.4823173E-02 |GRAD(Rho)| 0.1779271E-13 GRAD(Rho)x -0.7167796E-14 GRAD(Rho)y -0.1611551E-13 GRAD(Rho)z 0.2343845E-14 Laplacian 0.1998406E-01 (-1/4)Del**2(Rho)) -0.4996016E-02 Diamond 0.1829506E-03 Metallicity 0.4747710E+00 Ellipticity -0.2726637E+00 Gb(Abramov) 0.3726004E-02 Vb(Abramov) -0.2455993E-02 Hb(Abramov) 0.1270011E-02 Ex_ueg -0.6018601E-03 Ec_ueg -0.1393112E-03 Delta_ex -0.7323942E-03 Delta_ec 0.1751916E-03 Delta_et -0.1125490E-02 Pxc 0.4320257E+01 Qxc -0.4180533E+01 3,+3 84 3 +1 -0.358030 -0.703227 2.687507 Rho 0.2650713E-01 |GRAD(Rho)| 0.2372517E-15 GRAD(Rho)x -0.2134827E-15 GRAD(Rho)y 0.2872505E-16 GRAD(Rho)z 0.9944041E-16 Laplacian 0.1014356E+00 (-1/4)Del**2(Rho)) -0.2535889E-01 Diamond 0.1393082E-01 Metallicity 0.1600887E+01 Ellipticity -0.3724236E+01 Gb(Abramov) 0.2367205E-01 Vb(Abramov) -0.2198520E-01 Hb(Abramov) 0.1686843E-02 Ex_ueg -0.5837165E-02 Ec_ueg -0.1164891E-02 Delta_ex -0.6363196E-02 Delta_ec 0.1640676E-02 Delta_et -0.1470566E-01 Pxc 0.5010910E+01 Qxc -0.3878400E+01 3,+1 85 3 +1 -0.411809 0.667368 2.684442 Rho 0.2671038E-01 |GRAD(Rho)| 0.6543140E-16 GRAD(Rho)x 0.6062343E-17 GRAD(Rho)y 0.7437911E-17 GRAD(Rho)z -0.6472398E-16 Laplacian 0.1025288E+00 (-1/4)Del**2(Rho)) -0.2563220E-01 Diamond 0.1418780E-01 Metallicity 0.1604109E+01 Ellipticity -0.3662085E+01 Gb(Abramov) 0.2394094E-01 Vb(Abramov) -0.2224968E-01 Hb(Abramov) 0.1691258E-02 Ex_ueg -0.5896918E-02 Ec_ueg -0.1175209E-02 Delta_ex -0.6440860E-02 Delta_ec 0.1650861E-02 Delta_et -0.1482528E-01 Pxc 0.5017762E+01 Qxc -0.3901515E+01 3,+1 86 3 +3 0.001214 -0.002157 -1.913369 Rho 0.4862512E-02 |GRAD(Rho)| 0.4398363E-13 GRAD(Rho)x 0.3456555E-13 GRAD(Rho)y 0.9520393E-14 GRAD(Rho)z 0.2547832E-13 Laplacian 0.1898698E-01 (-1/4)Del**2(Rho)) -0.4746746E-02 Diamond 0.1264776E-03 Metallicity 0.5065142E+00 Ellipticity -0.1373092E-01 Gb(Abramov) 0.3565213E-02 Vb(Abramov) -0.2383680E-02 Hb(Abramov) 0.1181533E-02 Ex_ueg -0.6084141E-03 Ec_ueg -0.1410009E-03 Delta_ex -0.6498277E-03 Delta_ec 0.8166538E-04 Delta_et -0.6491419E-03 Pxc 0.4314965E+01 Qxc -0.7957200E+01 3,+3 87 3 -1 -0.455064 0.455242 -0.226594 Rho 0.1392391E+00 |GRAD(Rho)| 0.1017572E-11 GRAD(Rho)x -0.9935528E-12 GRAD(Rho)y -0.4747528E-13 GRAD(Rho)z 0.2145983E-12 Laplacian 0.7373065E+00 (-1/4)Del**2(Rho)) -0.1843266E+00 Diamond 0.1652191E+01 Metallicity 0.3495967E+01 Ellipticity 0.5567474E-04 Gb(Abramov) 0.2302844E+00 Vb(Abramov) -0.2762422E+00 Hb(Abramov) -0.4595776E-01 Ex_ueg -0.5330078E-01 Ec_ueg -0.7758264E-02 Delta_ex -0.8089561E-01 Delta_ec 0.2466686E-01 Delta_et -0.3364354E+00 Pxc 0.6870194E+01 Qxc -0.3279526E+01 3,-1 88 3 +1 0.454556 1.743447 -0.382780 Rho 0.8671467E-02 |GRAD(Rho)| 0.3953973E-13 GRAD(Rho)x 0.3783331E-13 GRAD(Rho)y 0.6348205E-14 GRAD(Rho)z 0.9577669E-14 Laplacian 0.3431528E-01 (-1/4)Del**2(Rho)) -0.8578820E-02 Diamond 0.9159308E-03 Metallicity 0.7349875E+00 Ellipticity -0.1419269E+01 Gb(Abramov) 0.6770101E-02 Vb(Abramov) -0.4961382E-02 Hb(Abramov) 0.1808719E-02 Ex_ueg -0.1315755E-02 Ec_ueg -0.3081789E-03 Delta_ex -0.1565237E-02 Delta_ec 0.4726819E-03 Delta_et -0.3245898E-02 Pxc 0.4269453E+01 Qxc -0.3311397E+01 3,+1 89 3 +1 0.790287 0.025013 2.687639 Rho 0.2649484E-01 |GRAD(Rho)| 0.9768689E-16 GRAD(Rho)x 0.5583280E-16 GRAD(Rho)y 0.9308834E-17 GRAD(Rho)z 0.7961641E-16 Laplacian 0.1014072E+00 (-1/4)Del**2(Rho)) -0.2535181E-01 Diamond 0.1385296E-01 Metallicity 0.1600097E+01 Ellipticity -0.3624767E+01 Gb(Abramov) 0.2366210E-01 Vb(Abramov) -0.2197239E-01 Hb(Abramov) 0.1689710E-02 Ex_ueg -0.5833556E-02 Ec_ueg -0.1164268E-02 Delta_ex -0.6354083E-02 Delta_ec 0.1628541E-02 Delta_et -0.1459760E-01 Pxc 0.5010495E+01 Qxc -0.3901703E+01 3,+1 90 3 +1 0.255578 0.923970 -1.568138 Rho 0.8724974E-02 |GRAD(Rho)| 0.7611474E-15 GRAD(Rho)x 0.5330751E-15 GRAD(Rho)y -0.2582027E-15 GRAD(Rho)z 0.4780247E-15 Laplacian 0.3452534E-01 (-1/4)Del**2(Rho)) -0.8631335E-02 Diamond 0.9282602E-03 Metallicity 0.7380437E+00 Ellipticity -0.1420526E+01 Gb(Abramov) 0.6815941E-02 Vb(Abramov) -0.5000546E-02 Hb(Abramov) 0.1815395E-02 Ex_ueg -0.1326592E-02 Ec_ueg -0.3105753E-03 Delta_ex -0.1576825E-02 Delta_ec 0.4747551E-03 Delta_et -0.3265940E-02 Pxc 0.4271401E+01 Qxc -0.3321344E+01 3,+1 91 3 +1 1.149277 1.058792 0.965071 Rho 0.8739419E-02 |GRAD(Rho)| 0.1262670E-16 GRAD(Rho)x -0.2500441E-17 GRAD(Rho)y 0.4546873E-17 GRAD(Rho)z 0.1151118E-16 Laplacian 0.3461241E-01 (-1/4)Del**2(Rho)) -0.8653102E-02 Diamond 0.9330293E-03 Metallicity 0.7382198E+00 Ellipticity -0.1420630E+01 Gb(Abramov) 0.6833383E-02 Vb(Abramov) -0.5013664E-02 Hb(Abramov) 0.1819719E-02 Ex_ueg -0.1329521E-02 Ec_ueg -0.3112224E-03 Delta_ex -0.1581611E-02 Delta_ec 0.4762096E-03 Delta_et -0.3277117E-02 Pxc 0.4271931E+01 Qxc -0.3321251E+01 3,+1 92 3 -1 0.338257 0.902066 2.282889 Rho 0.4825961E-01 |GRAD(Rho)| 0.5785267E-16 GRAD(Rho)x -0.4104436E-16 GRAD(Rho)y -0.2488371E-16 GRAD(Rho)z 0.3229694E-16 Laplacian 0.1887065E+00 (-1/4)Del**2(Rho)) -0.4717662E-01 Diamond 0.9106961E-01 Metallicity 0.2335963E+01 Ellipticity 0.8946448E-02 Gb(Abramov) 0.4981822E-01 Vb(Abramov) -0.5245982E-01 Hb(Abramov) -0.2641600E-02 Ex_ueg -0.1297668E-01 Ec_ueg -0.2318900E-02 Delta_ex -0.1539094E-01 Delta_ec 0.5616704E-02 Delta_et -0.5867825E-01 Pxc 0.5596049E+01 Qxc -0.2740209E+01 3,-1 93 3 +3 0.467708 1.743857 0.633674 Rho 0.4859808E-02 |GRAD(Rho)| 0.7972750E-17 GRAD(Rho)x 0.4813688E-17 GRAD(Rho)y 0.5976664E-17 GRAD(Rho)z 0.2161628E-17 Laplacian 0.1899101E-01 (-1/4)Del**2(Rho)) -0.4747753E-02 Diamond 0.1264230E-03 Metallicity 0.5059375E+00 Ellipticity -0.2081087E-01 Gb(Abramov) 0.3565513E-02 Vb(Abramov) -0.2383273E-02 Hb(Abramov) 0.1182240E-02 Ex_ueg -0.6079630E-03 Ec_ueg -0.1408847E-03 Delta_ex -0.6498797E-03 Delta_ec 0.8170833E-04 Delta_et -0.6493457E-03 Pxc 0.4315322E+01 Qxc -0.7953652E+01 3,+3 94 3 +1 0.379395 2.371365 -1.680891 Rho 0.5590799E-02 |GRAD(Rho)| 0.4430912E-17 GRAD(Rho)x 0.1520954E-17 GRAD(Rho)y 0.6757205E-18 GRAD(Rho)z 0.4106469E-17 Laplacian 0.2318139E-01 (-1/4)Del**2(Rho)) -0.5795349E-02 Diamond 0.6045248E-03 Metallicity 0.5235161E+00 Ellipticity -0.2790677E+01 Gb(Abramov) 0.4369225E-02 Vb(Abramov) -0.2943102E-02 Hb(Abramov) 0.1426123E-02 Ex_ueg -0.7328531E-03 Ec_ueg -0.1724252E-03 Delta_ex -0.1158934E-02 Delta_ec 0.6961483E-03 Delta_et -0.3922954E-02 Pxc 0.4250266E+01 Qxc -0.1664780E+01 3,+1 95 3 +1 0.843195 2.238206 -1.692046 Rho 0.5606736E-02 |GRAD(Rho)| 0.1497678E-14 GRAD(Rho)x 0.1471294E-14 GRAD(Rho)y -0.1352360E-15 GRAD(Rho)z 0.2450369E-15 Laplacian 0.2317094E-01 (-1/4)Del**2(Rho)) -0.5792734E-02 Diamond 0.6164190E-03 Metallicity 0.5262430E+00 Ellipticity -0.3136001E+01 Gb(Abramov) 0.4369887E-02 Vb(Abramov) -0.2947040E-02 Hb(Abramov) 0.1422847E-02 Ex_ueg -0.7356397E-03 Ec_ueg -0.1731158E-03 Delta_ex -0.1166918E-02 Delta_ec 0.7098485E-03 Delta_et -0.3997698E-02 Pxc 0.4249407E+01 Qxc -0.1643897E+01 3,+1 96 3 +1 0.737192 2.748534 1.002036 Rho 0.1136161E-01 |GRAD(Rho)| 0.2496830E-16 GRAD(Rho)x -0.7723749E-18 GRAD(Rho)y 0.1160610E-16 GRAD(Rho)z -0.2209339E-16 Laplacian 0.5570838E-01 (-1/4)Del**2(Rho)) -0.1392710E-01 Diamond 0.2078107E-02 Metallicity 0.7102734E+00 Ellipticity -0.1246102E+01 Gb(Abramov) 0.1093340E-01 Vb(Abramov) -0.7939713E-02 Hb(Abramov) 0.2993691E-02 Ex_ueg -0.1886419E-02 Ec_ueg -0.4301793E-03 Delta_ex -0.2701379E-02 Delta_ec 0.7269962E-03 Delta_et -0.5375588E-02 Pxc 0.4385191E+01 Qxc -0.3715809E+01 3,+1 97 3 -1 0.850999 2.488197 3.628508 Rho 0.2333065E+00 |GRAD(Rho)| 0.3576499E-13 GRAD(Rho)x 0.2922044E-13 GRAD(Rho)y 0.9918119E-14 GRAD(Rho)z 0.1808124E-13 Laplacian 0.8602655E+00 (-1/4)Del**2(Rho)) -0.2150664E+00 Diamond 0.2935418E+01 Metallicity 0.7082589E+01 Ellipticity 0.3494440E-02 Gb(Abramov) 0.3972487E+00 Vb(Abramov) -0.5794310E+00 Hb(Abramov) -0.1821823E+00 Ex_ueg -0.1060769E+00 Ec_ueg -0.1397764E-01 Delta_ex -0.1031446E+00 Delta_ec 0.1911100E-01 Delta_et -0.2642163E+00 Pxc 0.7589044E+01 Qxc -0.5397135E+01 3,-1 98 3 -1 0.631202 2.304045 -1.690220 Rho 0.5636175E-02 |GRAD(Rho)| 0.1013490E-16 GRAD(Rho)x -0.3462194E-17 GRAD(Rho)y -0.3405708E-17 GRAD(Rho)z -0.8895540E-17 Laplacian 0.2287874E-01 (-1/4)Del**2(Rho)) -0.5719684E-02 Diamond 0.7235128E-03 Metallicity 0.5376363E+00 Ellipticity 0.3403757E+01 Gb(Abramov) 0.4325641E-02 Vb(Abramov) -0.2931598E-02 Hb(Abramov) 0.1394043E-02 Ex_ueg -0.7407944E-03 Ec_ueg -0.1743919E-03 Delta_ex -0.1240911E-02 Delta_ec 0.8571422E-03 Delta_et -0.4770826E-02 Pxc 0.4247871E+01 Qxc -0.1447731E+01 3,-1 99 3 +1 1.515597 -0.346123 0.980947 Rho 0.8715532E-02 |GRAD(Rho)| 0.2442881E-14 GRAD(Rho)x -0.1836354E-14 GRAD(Rho)y 0.1168656E-14 GRAD(Rho)z -0.1108925E-14 Laplacian 0.3449459E-01 (-1/4)Del**2(Rho)) -0.8623647E-02 Diamond 0.9263774E-03 Metallicity 0.7373698E+00 Ellipticity -0.1420284E+01 Gb(Abramov) 0.6808901E-02 Vb(Abramov) -0.4994155E-02 Hb(Abramov) 0.1814746E-02 Ex_ueg -0.1324678E-02 Ec_ueg -0.3101523E-03 Delta_ex -0.1575125E-02 Delta_ec 0.4745792E-03 Delta_et -0.3263623E-02 Pxc 0.4271056E+01 Qxc -0.3318993E+01 3,+1 100 3 +1 2.166776 0.571787 1.884345 Rho 0.5636218E-02 |GRAD(Rho)| 0.5692397E-17 GRAD(Rho)x -0.2541734E-17 GRAD(Rho)y 0.1356735E-17 GRAD(Rho)z 0.4909403E-17 Laplacian 0.2331711E-01 (-1/4)Del**2(Rho)) -0.5829278E-02 Diamond 0.6167214E-03 Metallicity 0.5275350E+00 Ellipticity -0.2921815E+01 Gb(Abramov) 0.4398710E-02 Vb(Abramov) -0.2968142E-02 Hb(Abramov) 0.1430568E-02 Ex_ueg -0.7408019E-03 Ec_ueg -0.1743938E-03 Delta_ex -0.1169185E-02 Delta_ec 0.7030504E-03 Delta_et -0.3970236E-02 Pxc 0.4247869E+01 Qxc -0.1663018E+01 3,+1 101 3 -1 1.243923 0.940424 -2.945899 Rho 0.1059171E+00 |GRAD(Rho)| 0.3138122E-15 GRAD(Rho)x -0.2785044E-15 GRAD(Rho)y 0.1356201E-15 GRAD(Rho)z 0.5020534E-16 Laplacian 0.4386354E+00 (-1/4)Del**2(Rho)) -0.1096588E+00 Diamond 0.5863656E+00 Metallicity 0.3724945E+01 Ellipticity 0.1071367E-01 Gb(Abramov) 0.1411848E+00 Vb(Abramov) -0.1727107E+00 Hb(Abramov) -0.3152591E-01 Ex_ueg -0.3701178E-01 Ec_ueg -0.5684864E-02 Delta_ex -0.4335094E-01 Delta_ec 0.1212313E-01 Delta_et -0.1523546E+00 Pxc 0.6510584E+01 Qxc -0.3575886E+01 3,-1 102 3 -1 1.792973 0.390767 -1.668749 Rho 0.4813692E-01 |GRAD(Rho)| 0.3659503E-14 GRAD(Rho)x 0.1168004E-14 GRAD(Rho)y -0.1417600E-15 GRAD(Rho)z -0.3465203E-14 Laplacian 0.1882897E+00 (-1/4)Del**2(Rho)) -0.4707241E-01 Diamond 0.9056841E-01 Metallicity 0.2331223E+01 Ellipticity 0.1067550E-01 Gb(Abramov) 0.4967099E-01 Vb(Abramov) -0.5226958E-01 Hb(Abramov) -0.2598581E-02 Ex_ueg -0.1293271E-01 Ec_ueg -0.2312152E-02 Delta_ex -0.1534776E-01 Delta_ec 0.5605525E-02 Delta_et -0.5852264E-01 Pxc 0.5593365E+01 Qxc -0.2737969E+01 3,-1 103 3 -1 2.305143 0.616246 1.690139 Rho 0.5674341E-02 |GRAD(Rho)| 0.4560021E-14 GRAD(Rho)x 0.2348033E-14 GRAD(Rho)y -0.2277066E-14 GRAD(Rho)z -0.3177342E-14 Laplacian 0.2301758E-01 (-1/4)Del**2(Rho)) -0.5754394E-02 Diamond 0.7342871E-03 Metallicity 0.5404380E+00 Ellipticity 0.3282345E+01 Gb(Abramov) 0.4354579E-02 Vb(Abramov) -0.2954763E-02 Hb(Abramov) 0.1399816E-02 Ex_ueg -0.7474903E-03 Ec_ueg -0.1760469E-03 Delta_ex -0.1249802E-02 Delta_ec 0.8619970E-03 Delta_et -0.4807837E-02 Pxc 0.4245974E+01 Qxc -0.1449892E+01 3,-1 104 3 +1 2.123727 1.170288 -1.403179 Rho 0.2647964E-01 |GRAD(Rho)| 0.4295683E-15 GRAD(Rho)x -0.2751272E-15 GRAD(Rho)y 0.3997416E-16 GRAD(Rho)z -0.3274691E-15 Laplacian 0.1013570E+00 (-1/4)Del**2(Rho)) -0.2533925E-01 Diamond 0.1386112E-01 Metallicity 0.1599360E+01 Ellipticity -0.3653081E+01 Gb(Abramov) 0.2364727E-01 Vb(Abramov) -0.2195528E-01 Hb(Abramov) 0.1691985E-02 Ex_ueg -0.5829097E-02 Ec_ueg -0.1163497E-02 Delta_ex -0.6352564E-02 Delta_ec 0.1632398E-02 Delta_et -0.1462925E-01 Pxc 0.5009981E+01 Qxc -0.3891553E+01 3,+1 105 3 -1 1.980965 1.443131 -0.384667 Rho 0.4794852E-01 |GRAD(Rho)| 0.1845252E-15 GRAD(Rho)x 0.1386553E-15 GRAD(Rho)y 0.1214942E-15 GRAD(Rho)z 0.7964863E-17 Laplacian 0.1873015E+00 (-1/4)Del**2(Rho)) -0.4682538E-01 Diamond 0.8961225E-01 Metallicity 0.2328255E+01 Ellipticity 0.1007773E-01 Gb(Abramov) 0.4938716E-01 Vb(Abramov) -0.5194894E-01 Hb(Abramov) -0.2561778E-02 Ex_ueg -0.1286526E-01 Ec_ueg -0.2301793E-02 Delta_ex -0.1525210E-01 Delta_ec 0.5576120E-02 Delta_et -0.5815567E-01 Pxc 0.5589235E+01 Qxc -0.2735254E+01 3,-1 106 3 +1 1.509595 -1.852998 -1.689868 Rho 0.5589344E-02 |GRAD(Rho)| 0.1074523E-11 GRAD(Rho)x -0.8961519E-13 GRAD(Rho)y 0.8993665E-12 GRAD(Rho)z -0.5811262E-12 Laplacian 0.2315700E-01 (-1/4)Del**2(Rho)) -0.5789251E-02 Diamond 0.6077397E-03 Metallicity 0.5238402E+00 Ellipticity -0.2915478E+01 Gb(Abramov) 0.4364941E-02 Vb(Abramov) -0.2940631E-02 Hb(Abramov) 0.1424310E-02 Ex_ueg -0.7325987E-03 Ec_ueg -0.1723622E-03 Delta_ex -0.1160906E-02 Delta_ec 0.7012211E-03 Delta_et -0.3948807E-02 Pxc 0.4250345E+01 Qxc -0.1655549E+01 3,+1 107 3 -1 2.665920 2.300847 -1.189247 Rho 0.1584834E+00 |GRAD(Rho)| 0.6350506E-15 GRAD(Rho)x 0.9807286E-16 GRAD(Rho)y 0.4487581E-15 GRAD(Rho)z 0.4385056E-15 Laplacian 0.6104808E+00 (-1/4)Del**2(Rho)) -0.1526202E+00 Diamond 0.1318851E+01 Metallicity 0.5238987E+01 Ellipticity 0.7248213E-01 Gb(Abramov) 0.2350093E+00 Vb(Abramov) -0.3173985E+00 Hb(Abramov) -0.8238914E-01 Ex_ueg -0.6334271E-01 Ec_ueg -0.8988765E-02 Delta_ex -0.6642992E-01 Delta_ec 0.1523120E-01 Delta_et -0.2041458E+00 Pxc 0.7046876E+01 Qxc -0.4361437E+01 3,-1 108 3 -1 3.230786 1.777205 0.006394 Rho 0.1063721E+00 |GRAD(Rho)| 0.2949242E-15 GRAD(Rho)x -0.6342583E-16 GRAD(Rho)y 0.2831055E-15 GRAD(Rho)z -0.5299716E-16 Laplacian 0.4125925E+00 (-1/4)Del**2(Rho)) -0.1031481E+00 Diamond 0.5536758E+00 Metallicity 0.3988455E+01 Ellipticity 0.2015640E-01 Gb(Abramov) 0.1373324E+00 Vb(Abramov) -0.1715166E+00 Hb(Abramov) -0.3418423E-01 Ex_ueg -0.3722391E-01 Ec_ueg -0.5712641E-02 Delta_ex -0.4080656E-01 Delta_ec 0.1137181E-01 Delta_et -0.1430021E+00 Pxc 0.6516060E+01 Qxc -0.3588397E+01 3,-1 109 3 -1 3.504496 -0.590798 -0.976435 Rho 0.1073975E+00 |GRAD(Rho)| 0.4837511E-15 GRAD(Rho)x -0.3139847E-15 GRAD(Rho)y -0.2663512E-15 GRAD(Rho)z 0.2539405E-15 Laplacian 0.4167005E+00 (-1/4)Del**2(Rho)) -0.1041751E+00 Diamond 0.5658699E+00 Metallicity 0.4012788E+01 Ellipticity 0.2087635E-01 Gb(Abramov) 0.1391222E+00 Vb(Abramov) -0.1740693E+00 Hb(Abramov) -0.3494708E-01 Ex_ueg -0.3770313E-01 Ec_ueg -0.5775306E-02 Delta_ex -0.4130859E-01 Delta_ec 0.1146527E-01 Delta_et -0.1444480E+00 Pxc 0.6528335E+01 Qxc -0.3602931E+01 3,-1 110 3 -1 3.699662 0.257885 0.148003 Rho 0.1587657E+00 |GRAD(Rho)| 0.2253609E-15 GRAD(Rho)x -0.2218481E-15 GRAD(Rho)y -0.3789287E-16 GRAD(Rho)z -0.1162299E-16 Laplacian 0.6118127E+00 (-1/4)Del**2(Rho)) -0.1529532E+00 Diamond 0.1324077E+01 Metallicity 0.5243114E+01 Ellipticity 0.7344981E-01 Gb(Abramov) 0.2356273E+00 Vb(Abramov) -0.3183014E+00 Hb(Abramov) -0.8267410E-01 Ex_ueg -0.6349323E-01 Ec_ueg -0.9006988E-02 Delta_ex -0.6659980E-01 Delta_ec 0.1524965E-01 Delta_et -0.2044199E+00 Pxc 0.7049330E+01 Qxc -0.4367301E+01 3,-1 111 3 +1 2.566481 -0.091550 -1.112080 Rho 0.2658631E-01 |GRAD(Rho)| 0.9411772E-11 GRAD(Rho)x 0.8402256E-11 GRAD(Rho)y -0.1440906E-11 GRAD(Rho)z -0.3988399E-11 Laplacian 0.1020100E+00 (-1/4)Del**2(Rho)) -0.2550249E-01 Diamond 0.1404057E-01 Metallicity 0.1599807E+01 Ellipticity -0.3658060E+01 Gb(Abramov) 0.2380150E-01 Vb(Abramov) -0.2210051E-01 Hb(Abramov) 0.1700988E-02 Ex_ueg -0.5860427E-02 Ec_ueg -0.1168910E-02 Delta_ex -0.6401698E-02 Delta_ec 0.1645168E-02 Delta_et -0.1475732E-01 Pxc 0.5013584E+01 Qxc -0.3891213E+01 3,+1 112 3 -1 -2.834082 -1.747522 -0.182342 Rho 0.1060582E+00 |GRAD(Rho)| 0.6657297E-13 GRAD(Rho)x -0.2842026E-13 GRAD(Rho)y -0.5864217E-13 GRAD(Rho)z 0.1361415E-13 Laplacian 0.4401256E+00 (-1/4)Del**2(Rho)) -0.1100314E+00 Diamond 0.5896832E+00 Metallicity 0.3720576E+01 Ellipticity 0.1050705E-01 Gb(Abramov) 0.1415843E+00 Vb(Abramov) -0.1731372E+00 Hb(Abramov) -0.3155291E-01 Ex_ueg -0.3707752E-01 Ec_ueg -0.5693475E-02 Delta_ex -0.4351782E-01 Delta_ec 0.1217145E-01 Delta_et -0.1530153E+00 Pxc 0.6512283E+01 Qxc -0.3575402E+01 3,-1 113 3 -1 -2.073144 3.080381 0.149408 Rho 0.1582842E+00 |GRAD(Rho)| 0.1525311E-13 GRAD(Rho)x -0.1390085E-13 GRAD(Rho)y 0.3879682E-14 GRAD(Rho)z -0.4936769E-14 Laplacian 0.6101335E+00 (-1/4)Del**2(Rho)) -0.1525334E+00 Diamond 0.1316074E+01 Metallicity 0.5230993E+01 Ellipticity 0.7262470E-01 Gb(Abramov) 0.2346724E+00 Vb(Abramov) -0.3168114E+00 Hb(Abramov) -0.8213904E-01 Ex_ueg -0.6323658E-01 Ec_ueg -0.8975912E-02 Delta_ex -0.6637110E-01 Delta_ec 0.1522677E-01 Delta_et -0.2040518E+00 Pxc 0.7045143E+01 Qxc -0.4358844E+01 3,-1 114 3 -1 -1.436573 0.603855 -2.946399 Rho 0.1061490E+00 |GRAD(Rho)| 0.1778528E-15 GRAD(Rho)x -0.3136139E-17 GRAD(Rho)y -0.1696505E-15 GRAD(Rho)z -0.5329616E-16 Laplacian 0.4398275E+00 (-1/4)Del**2(Rho)) -0.1099569E+00 Diamond 0.5897796E+00 Metallicity 0.3728415E+01 Ellipticity 0.1084074E-01 Gb(Abramov) 0.1416321E+00 Vb(Abramov) -0.1733072E+00 Hb(Abramov) -0.3167518E-01 Ex_ueg -0.3711987E-01 Ec_ueg -0.5699021E-02 Delta_ex -0.4349530E-01 Delta_ec 0.1215770E-01 Delta_et -0.1528633E+00 Pxc 0.6513377E+01 Qxc -0.3577593E+01 3,-1 115 3 +1 -1.203785 2.267350 -1.111836 Rho 0.2659291E-01 |GRAD(Rho)| 0.2614681E-16 GRAD(Rho)x 0.7821004E-17 GRAD(Rho)y 0.2444115E-16 GRAD(Rho)z 0.5011759E-17 Laplacian 0.1021634E+00 (-1/4)Del**2(Rho)) -0.2554084E-01 Diamond 0.1413207E-01 Metallicity 0.1598065E+01 Ellipticity -0.3733269E+01 Gb(Abramov) 0.2382988E-01 Vb(Abramov) -0.2211892E-01 Hb(Abramov) 0.1710959E-02 Ex_ueg -0.5862366E-02 Ec_ueg -0.1169245E-02 Delta_ex -0.6418313E-02 Delta_ec 0.1659351E-02 Delta_et -0.1488313E-01 Pxc 0.5013807E+01 Qxc -0.3867966E+01 3,+1 116 3 -1 -1.455677 0.448631 3.379819 Rho 0.1574208E+00 |GRAD(Rho)| 0.2729561E-14 GRAD(Rho)x -0.1497622E-14 GRAD(Rho)y -0.2111457E-14 GRAD(Rho)z -0.8656677E-15 Laplacian 0.6070648E+00 (-1/4)Del**2(Rho)) -0.1517662E+00 Diamond 0.1300379E+01 Metallicity 0.5209725E+01 Ellipticity 0.7307067E-01 Gb(Abramov) 0.2329542E+00 Vb(Abramov) -0.3141421E+00 Hb(Abramov) -0.8118796E-01 Ex_ueg -0.6277707E-01 Ec_ueg -0.8920229E-02 Delta_ex -0.6594322E-01 Delta_ec 0.1516276E-01 Delta_et -0.2030296E+00 Pxc 0.7037608E+01 Qxc -0.4349025E+01 3,-1 117 3 +1 0.342543 -1.528335 0.967056 Rho 0.8695255E-02 |GRAD(Rho)| 0.1618608E-16 GRAD(Rho)x -0.8287370E-17 GRAD(Rho)y -0.1180425E-16 GRAD(Rho)z 0.7346317E-17 Laplacian 0.3445457E-01 (-1/4)Del**2(Rho)) -0.8613642E-02 Diamond 0.9229756E-03 Metallicity 0.7353660E+00 Ellipticity -0.1418789E+01 Gb(Abramov) 0.6798124E-02 Vb(Abramov) -0.4982607E-02 Hb(Abramov) 0.1815517E-02 Ex_ueg -0.1320570E-02 Ec_ueg -0.3092441E-03 Delta_ex -0.1572635E-02 Delta_ec 0.4745098E-03 Delta_et -0.3260807E-02 Pxc 0.4270316E+01 Qxc -0.3314231E+01 3,+1 118 3 -1 -0.819002 -2.418656 -3.689367 Rho 0.2333530E+00 |GRAD(Rho)| 0.1496767E-15 GRAD(Rho)x 0.5085586E-16 GRAD(Rho)y 0.2715926E-16 GRAD(Rho)z 0.1381274E-15 Laplacian 0.8596505E+00 (-1/4)Del**2(Rho)) -0.2149126E+00 Diamond 0.2934385E+01 Metallicity 0.7090008E+01 Ellipticity 0.3250982E-02 Gb(Abramov) 0.3972305E+00 Vb(Abramov) -0.5795483E+00 Hb(Abramov) -0.1823178E+00 Ex_ueg -0.1061051E+00 Ec_ueg -0.1398083E-01 Delta_ex -0.1030783E+00 Delta_ec 0.1909979E-01 Delta_et -0.2640788E+00 Pxc 0.7589324E+01 Qxc -0.5396826E+01 3,-1 119 3 -1 -0.619559 -2.305219 1.692742 Rho 0.5671775E-02 |GRAD(Rho)| 0.1238919E-16 GRAD(Rho)x -0.1163506E-16 GRAD(Rho)y 0.3894022E-17 GRAD(Rho)z -0.1718736E-17 Laplacian 0.2301360E-01 (-1/4)Del**2(Rho)) -0.5753400E-02 Diamond 0.7373247E-03 Metallicity 0.5401242E+00 Ellipticity 0.3011251E+01 Gb(Abramov) 0.4353525E-02 Vb(Abramov) -0.2953650E-02 Hb(Abramov) 0.1399875E-02 Ex_ueg -0.7470398E-03 Ec_ueg -0.1759356E-03 Delta_ex -0.1252316E-02 Delta_ec 0.8669077E-03 Delta_et -0.4832868E-02 Pxc 0.4246098E+01 Qxc -0.1444578E+01 3,-1 120 3 -1 -0.555655 -1.747921 -1.669674 Rho 0.4778703E-01 |GRAD(Rho)| 0.1889178E-15 GRAD(Rho)x -0.2898129E-16 GRAD(Rho)y -0.3590869E-16 GRAD(Rho)z -0.1831954E-15 Laplacian 0.1869049E+00 (-1/4)Del**2(Rho)) -0.4672624E-01 Diamond 0.8901671E-01 Metallicity 0.2320113E+01 Ellipticity 0.9730217E-02 Gb(Abramov) 0.4921918E-01 Vb(Abramov) -0.5171213E-01 Hb(Abramov) -0.2492947E-02 Ex_ueg -0.1280752E-01 Ec_ueg -0.2292919E-02 Delta_ex -0.1520708E-01 Delta_ec 0.5564730E-02 Delta_et -0.5798552E-01 Pxc 0.5585684E+01 Qxc -0.2732761E+01 3,-1 121 3 +1 2.644051 0.903669 -0.173403 Rho 0.2652673E-01 |GRAD(Rho)| 0.1307642E-14 GRAD(Rho)x 0.2691839E-15 GRAD(Rho)y 0.1278800E-14 GRAD(Rho)z 0.4625850E-16 Laplacian 0.1016534E+00 (-1/4)Del**2(Rho)) -0.2541334E-01 Diamond 0.1388525E-01 Metallicity 0.1599427E+01 Ellipticity -0.3574665E+01 Gb(Abramov) 0.2371669E-01 Vb(Abramov) -0.2202004E-01 Hb(Abramov) 0.1696650E-02 Ex_ueg -0.5842922E-02 Ec_ueg -0.1165886E-02 Delta_ex -0.6369130E-02 Delta_ec 0.1628125E-02 Delta_et -0.1459891E-01 Pxc 0.5011573E+01 Qxc -0.3911942E+01 3,+1 122 3 +3 -0.490838 -1.831990 1.338165 Rho 0.4814398E-02 |GRAD(Rho)| 0.9176533E-16 GRAD(Rho)x 0.8410614E-16 GRAD(Rho)y 0.2040333E-16 GRAD(Rho)z -0.3050801E-16 Laplacian 0.1995443E-01 (-1/4)Del**2(Rho)) -0.4988607E-02 Diamond 0.1823642E-03 Metallicity 0.4740351E+00 Ellipticity -0.2777833E+00 Gb(Abramov) 0.3719867E-02 Vb(Abramov) -0.2451127E-02 Hb(Abramov) 0.1268740E-02 Ex_ueg -0.6004005E-03 Ec_ueg -0.1389344E-03 Delta_ex -0.7310972E-03 Delta_ec 0.1751696E-03 Delta_et -0.1124520E-02 Pxc 0.4321469E+01 Qxc -0.4173655E+01 3,+3 123 3 -1 -1.116221 -1.140251 -2.951143 Rho 0.1595976E+00 |GRAD(Rho)| 0.5917469E-12 GRAD(Rho)x 0.1742606E-12 GRAD(Rho)y -0.5653279E-12 GRAD(Rho)z 0.1421120E-13 Laplacian 0.6651015E+00 (-1/4)Del**2(Rho)) -0.1662754E+00 Diamond 0.1428016E+01 Metallicity 0.4865220E+01 Ellipticity 0.3257596E-01 Gb(Abramov) 0.2456780E+00 Vb(Abramov) -0.3250806E+00 Hb(Abramov) -0.7940259E-01 Ex_ueg -0.6393719E-01 Ec_ueg -0.9060703E-02 Delta_ex -0.7230695E-01 Delta_ec 0.1622112E-01 Delta_et -0.2167400E+00 Pxc 0.7056538E+01 Qxc -0.4457581E+01 3,-1 124 3 +1 -0.051817 -2.420574 -1.402636 Rho 0.2658130E-01 |GRAD(Rho)| 0.7314219E-16 GRAD(Rho)x -0.7974924E-17 GRAD(Rho)y 0.7257378E-16 GRAD(Rho)z 0.4384742E-17 Laplacian 0.1020587E+00 (-1/4)Del**2(Rho)) -0.2551468E-01 Diamond 0.1406356E-01 Metallicity 0.1598539E+01 Ellipticity -0.3675984E+01 Gb(Abramov) 0.2380749E-01 Vb(Abramov) -0.2210030E-01 Hb(Abramov) 0.1707190E-02 Ex_ueg -0.5858952E-02 Ec_ueg -0.1168655E-02 Delta_ex -0.6406426E-02 Delta_ec 0.1649516E-02 Delta_et -0.1479496E-01 Pxc 0.5013415E+01 Qxc -0.3883822E+01 3,+1 125 3 -1 -0.166113 -0.621547 -0.228044 Rho 0.1392912E+00 |GRAD(Rho)| 0.2361273E-13 GRAD(Rho)x 0.1165671E-13 GRAD(Rho)y 0.1287159E-13 GRAD(Rho)z 0.1600014E-13 Laplacian 0.7379837E+00 (-1/4)Del**2(Rho)) -0.1844959E+00 Diamond 0.1654738E+01 Metallicity 0.3494934E+01 Ellipticity 0.1921474E-03 Gb(Abramov) 0.2304641E+00 Vb(Abramov) -0.2764324E+00 Hb(Abramov) -0.4596822E-01 Ex_ueg -0.5332733E-01 Ec_ueg -0.7761559E-02 Delta_ex -0.8097999E-01 Delta_ec 0.2469315E-01 Delta_et -0.3368282E+00 Pxc 0.6870698E+01 Qxc -0.3279452E+01 3,-1 126 3 +3 0.486270 1.835094 -1.340920 Rho 0.4796877E-02 |GRAD(Rho)| 0.2868710E-14 GRAD(Rho)x 0.1000383E-14 GRAD(Rho)y -0.1969596E-14 GRAD(Rho)z 0.1830143E-14 Laplacian 0.1986105E-01 (-1/4)Del**2(Rho)) -0.4965262E-02 Diamond 0.1811284E-03 Metallicity 0.4733787E+00 Ellipticity -0.2737581E+00 Gb(Abramov) 0.3701916E-02 Vb(Abramov) -0.2438571E-02 Hb(Abramov) 0.1263346E-02 Ex_ueg -0.5974890E-03 Ec_ueg -0.1381821E-03 Delta_ex -0.7274960E-03 Delta_ec 0.1752518E-03 Delta_et -0.1122771E-02 Pxc 0.4323924E+01 Qxc -0.4151147E+01 3,+3 127 3 -1 -0.102014 3.329515 -0.179642 Rho 0.1047141E+00 |GRAD(Rho)| 0.3081916E-15 GRAD(Rho)x 0.2948285E-15 GRAD(Rho)y 0.1415392E-17 GRAD(Rho)z -0.8975669E-16 Laplacian 0.4343597E+00 (-1/4)Del**2(Rho)) -0.1085899E+00 Diamond 0.5736340E+00 Metallicity 0.3690672E+01 Ellipticity 0.1138504E-01 Gb(Abramov) 0.1391883E+00 Vb(Abramov) -0.1697866E+00 Hb(Abramov) -0.3059833E-01 Ex_ueg -0.3645233E-01 Ec_ueg -0.5611489E-02 Delta_ex -0.4282850E-01 Delta_ec 0.1206219E-01 Delta_et -0.1512904E+00 Pxc 0.6496016E+01 Qxc -0.3550641E+01 3,-1 128 3 -1 1.290298 -4.290504 -0.105683 Rho 0.2331922E+00 |GRAD(Rho)| 0.2290330E-15 GRAD(Rho)x 0.1653408E-17 GRAD(Rho)y 0.2278993E-15 GRAD(Rho)z 0.2270048E-16 Laplacian 0.8598853E+00 (-1/4)Del**2(Rho)) -0.2149713E+00 Diamond 0.2932145E+01 Metallicity 0.7079936E+01 Ellipticity 0.3456309E-02 Gb(Abramov) 0.3969781E+00 Vb(Abramov) -0.5789849E+00 Hb(Abramov) -0.1820068E+00 Ex_ueg -0.1060076E+00 Ec_ueg -0.1396978E-01 Delta_ex -0.1030845E+00 Delta_ec 0.1910286E-01 Delta_et -0.2640882E+00 Pxc 0.7588353E+01 Qxc -0.5396287E+01 3,-1 129 3 -1 1.391188 -0.536386 3.378842 Rho 0.1081568E+00 |GRAD(Rho)| 0.9931320E-12 GRAD(Rho)x 0.2479148E-12 GRAD(Rho)y -0.9502620E-12 GRAD(Rho)z 0.1478227E-12 Laplacian 0.4201589E+00 (-1/4)Del**2(Rho)) -0.1050397E+00 Diamond 0.5752916E+00 Metallicity 0.4026762E+01 Ellipticity 0.2135116E-01 Gb(Abramov) 0.1405215E+00 Vb(Abramov) -0.1760032E+00 Hb(Abramov) -0.3548175E-01 Ex_ueg -0.3805895E-01 Ec_ueg -0.5821757E-02 Delta_ex -0.4171834E-01 Delta_ec 0.1153829E-01 Delta_et -0.1455568E+00 Pxc 0.6537366E+01 Qxc -0.3615642E+01 3,-1 130 3 -1 0.253715 -2.435302 -0.376899 Rho 0.4825317E-01 |GRAD(Rho)| 0.5549683E-13 GRAD(Rho)x 0.5221840E-13 GRAD(Rho)y 0.1808844E-13 GRAD(Rho)z 0.5093688E-14 Laplacian 0.1887683E+00 (-1/4)Del**2(Rho)) -0.4719207E-01 Diamond 0.9109714E-01 Metallicity 0.2334679E+01 Ellipticity 0.9462120E-02 Gb(Abramov) 0.4982443E-01 Vb(Abramov) -0.5245680E-01 Hb(Abramov) -0.2632367E-02 Ex_ueg -0.1297437E-01 Ec_ueg -0.2318545E-02 Delta_ex -0.1539611E-01 Delta_ec 0.5619699E-02 Delta_et -0.5870778E-01 Pxc 0.5595908E+01 Qxc -0.2739668E+01 3,-1 131 3 -1 1.715239 -2.860648 -0.310689 Rho 0.1607030E+00 |GRAD(Rho)| 0.1822483E-15 GRAD(Rho)x 0.7898413E-16 GRAD(Rho)y 0.1622238E-15 GRAD(Rho)z -0.2567865E-16 Laplacian 0.6698630E+00 (-1/4)Del**2(Rho)) -0.1674657E+00 Diamond 0.1449304E+01 Metallicity 0.4886528E+01 Ellipticity 0.3319186E-01 Gb(Abramov) 0.2480315E+00 Vb(Abramov) -0.3285973E+00 Hb(Abramov) -0.8056576E-01 Ex_ueg -0.6452831E-01 Ec_ueg -0.9132142E-02 Delta_ex -0.7294167E-01 Delta_ec 0.1629366E-01 Delta_et -0.2178528E+00 Pxc 0.7066065E+01 Qxc -0.4476690E+01 3,-1 132 3 -1 0.618629 -0.744629 2.287161 Rho 0.4789155E-01 |GRAD(Rho)| 0.1990504E-12 GRAD(Rho)x -0.8535276E-13 GRAD(Rho)y -0.8908824E-13 GRAD(Rho)z 0.1562026E-12 Laplacian 0.1874043E+00 (-1/4)Del**2(Rho)) -0.4685107E-01 Diamond 0.8952657E-01 Metallicity 0.2322372E+01 Ellipticity 0.9799463E-02 Gb(Abramov) 0.4936832E-01 Vb(Abramov) -0.5188556E-01 Hb(Abramov) -0.2517247E-02 Ex_ueg -0.1284489E-01 Ec_ueg -0.2298662E-02 Delta_ex -0.1525637E-01 Delta_ec 0.5580041E-02 Delta_et -0.5817859E-01 Pxc 0.5587983E+01 Qxc -0.2734097E+01 3,-1 133 3 -1 2.479120 1.292532 -2.409348 Rho 0.1074088E+00 |GRAD(Rho)| 0.3530232E-15 GRAD(Rho)x -0.2486482E-15 GRAD(Rho)y -0.1682478E-15 GRAD(Rho)z -0.1857204E-15 Laplacian 0.4175167E+00 (-1/4)Del**2(Rho)) -0.1043792E+00 Diamond 0.5668725E+00 Metallicity 0.4005642E+01 Ellipticity 0.2113614E-01 Gb(Abramov) 0.1392704E+00 Vb(Abramov) -0.1741616E+00 Hb(Abramov) -0.3489121E-01 Ex_ueg -0.3770839E-01 Ec_ueg -0.5775993E-02 Delta_ex -0.4138777E-01 Delta_ec 0.1148254E-01 Delta_et -0.1446616E+00 Pxc 0.6528469E+01 Qxc -0.3604409E+01 3,-1 134 3 +1 2.437266 0.659240 1.484528 Rho 0.5633761E-02 |GRAD(Rho)| 0.3844365E-17 GRAD(Rho)x -0.1402051E-17 GRAD(Rho)y -0.6435862E-18 GRAD(Rho)z 0.3521248E-17 Laplacian 0.2331563E-01 (-1/4)Del**2(Rho)) -0.5828907E-02 Diamond 0.6154281E-03 Metallicity 0.5271856E+00 Ellipticity -0.2879383E+01 Gb(Abramov) 0.4398090E-02 Vb(Abramov) -0.2967274E-02 Hb(Abramov) 0.1430816E-02 Ex_ueg -0.7403715E-03 Ec_ueg -0.1742873E-03 Delta_ex -0.1168302E-02 Delta_ec 0.7017439E-03 Delta_et -0.3962867E-02 Pxc 0.4247995E+01 Qxc -0.1664856E+01 3,+1 135 3 -1 -2.266772 -2.736712 -0.983340 Rho 0.1084894E+00 |GRAD(Rho)| 0.2603884E-14 GRAD(Rho)x 0.1250656E-14 GRAD(Rho)y 0.4600935E-15 GRAD(Rho)z -0.2237048E-14 Laplacian 0.4213120E+00 (-1/4)Del**2(Rho)) -0.1053280E+00 Diamond 0.5789928E+00 Metallicity 0.4036345E+01 Ellipticity 0.2223162E-01 Gb(Abramov) 0.1410754E+00 Vb(Abramov) -0.1768227E+00 Hb(Abramov) -0.3574737E-01 Ex_ueg -0.3821509E-01 Ec_ueg -0.5842120E-02 Delta_ex -0.4186282E-01 Delta_ec 0.1156152E-01 Delta_et -0.1459337E+00 Pxc 0.6541306E+01 Qxc -0.3620876E+01 3,-1 136 3 -1 -2.276593 -2.262025 0.965869 Rho 0.1591947E+00 |GRAD(Rho)| 0.8574253E-15 GRAD(Rho)x 0.4689547E-15 GRAD(Rho)y 0.1643786E-15 GRAD(Rho)z 0.6987412E-15 Laplacian 0.6632261E+00 (-1/4)Del**2(Rho)) -0.1658065E+00 Diamond 0.1420066E+01 Metallicity 0.4858467E+01 Ellipticity 0.3207474E-01 Gb(Abramov) 0.2447986E+00 Vb(Abramov) -0.3237907E+00 Hb(Abramov) -0.7899207E-01 Ex_ueg -0.6372207E-01 Ec_ueg -0.9034682E-02 Delta_ex -0.7206132E-01 Delta_ec 0.1619231E-01 Delta_et -0.2163050E+00 Pxc 0.7053051E+01 Qxc -0.4450343E+01 3,-1 137 3 -1 -2.062782 -1.162997 2.340663 Rho 0.1065874E+00 |GRAD(Rho)| 0.5387624E-15 GRAD(Rho)x -0.7156920E-16 GRAD(Rho)y -0.4677858E-15 GRAD(Rho)z -0.2575251E-15 Laplacian 0.4417720E+00 (-1/4)Del**2(Rho)) -0.1104430E+00 Diamond 0.5951564E+00 Metallicity 0.3737588E+01 Ellipticity 0.1046177E-01 Gb(Abramov) 0.1424271E+00 Vb(Abramov) -0.1744111E+00 Hb(Abramov) -0.3198407E-01 Ex_ueg -0.3732440E-01 Ec_ueg -0.5725792E-02 Delta_ex -0.4372701E-01 Delta_ec 0.1219512E-01 Delta_et -0.1534480E+00 Pxc 0.6518644E+01 Qxc -0.3585615E+01 3,-1 138 3 -1 -1.219080 4.312317 0.170042 Rho 0.2333240E+00 |GRAD(Rho)| 0.1273608E-14 GRAD(Rho)x -0.1394555E-15 GRAD(Rho)y 0.1257132E-14 GRAD(Rho)z 0.1491523E-15 Laplacian 0.8597581E+00 (-1/4)Del**2(Rho)) -0.2149395E+00 Diamond 0.2934661E+01 Metallicity 0.7087654E+01 Ellipticity 0.3552197E-02 Gb(Abramov) 0.3971958E+00 Vb(Abramov) -0.5794522E+00 Hb(Abramov) -0.1822563E+00 Ex_ueg -0.1060875E+00 Ec_ueg -0.1397884E-01 Delta_ex -0.1030897E+00 Delta_ec 0.1910630E-01 Delta_et -0.2641821E+00 Pxc 0.7589149E+01 Qxc -0.5395588E+01 3,-1 139 3 +1 -0.454497 1.481726 0.985457 Rho 0.8732793E-02 |GRAD(Rho)| 0.1070653E-16 GRAD(Rho)x -0.3396602E-17 GRAD(Rho)y 0.9364796E-17 GRAD(Rho)z -0.3923457E-17 Laplacian 0.3456351E-01 (-1/4)Del**2(Rho)) -0.8640879E-02 Diamond 0.9308270E-03 Metallicity 0.7383301E+00 Ellipticity -0.1421114E+01 Gb(Abramov) 0.6823889E-02 Vb(Abramov) -0.5006900E-02 Hb(Abramov) 0.1816989E-02 Ex_ueg -0.1328177E-02 Ec_ueg -0.3109256E-03 Delta_ex -0.1579107E-02 Delta_ec 0.4755990E-03 Delta_et -0.3272230E-02 Pxc 0.4271688E+01 Qxc -0.3320249E+01 3,+1 140 3 +1 1.278732 -1.260784 -0.379660 Rho 0.8749823E-02 |GRAD(Rho)| 0.1089174E-12 GRAD(Rho)x -0.9035126E-13 GRAD(Rho)y 0.6025127E-13 GRAD(Rho)z -0.8333283E-14 Laplacian 0.3459912E-01 (-1/4)Del**2(Rho)) -0.8649781E-02 Diamond 0.9341031E-03 Metallicity 0.7399690E+00 Ellipticity -0.1422715E+01 Gb(Abramov) 0.6833282E-02 Vb(Abramov) -0.5016783E-02 Hb(Abramov) 0.1816499E-02 Ex_ueg -0.1331632E-02 Ec_ueg -0.3116886E-03 Delta_ex -0.1581447E-02 Delta_ec 0.4759620E-03 Delta_et -0.3276461E-02 Pxc 0.4272314E+01 Qxc -0.3322633E+01 3,+1 141 3 -1 -0.227486 1.466632 3.371119 Rho 0.1077323E+00 |GRAD(Rho)| 0.1473127E-15 GRAD(Rho)x -0.1058859E-15 GRAD(Rho)y -0.1441989E-16 GRAD(Rho)z 0.1013966E-15 Laplacian 0.4177003E+00 (-1/4)Del**2(Rho)) -0.1044251E+00 Diamond 0.5692732E+00 Metallicity 0.4024004E+01 Ellipticity 0.2119536E-01 Gb(Abramov) 0.1396512E+00 Vb(Abramov) -0.1748773E+00 Hb(Abramov) -0.3522613E-01 Ex_ueg -0.3785993E-01 Ec_ueg -0.5795783E-02 Delta_ex -0.4143668E-01 Delta_ec 0.1148236E-01 Delta_et -0.1447454E+00 Pxc 0.6532323E+01 Qxc -0.3608724E+01 3,-1 142 3 -1 -0.426548 1.537462 -2.948373 Rho 0.1595802E+00 |GRAD(Rho)| 0.1966155E-13 GRAD(Rho)x -0.1349631E-13 GRAD(Rho)y 0.5381024E-14 GRAD(Rho)z -0.1324653E-13 Laplacian 0.6646268E+00 (-1/4)Del**2(Rho)) -0.1661567E+00 Diamond 0.1426806E+01 Metallicity 0.4867812E+01 Ellipticity 0.3241459E-01 Gb(Abramov) 0.2455744E+00 Vb(Abramov) -0.3249921E+00 Hb(Abramov) -0.7941769E-01 Ex_ueg -0.6392791E-01 Ec_ueg -0.9059580E-02 Delta_ex -0.7225334E-01 Delta_ec 0.1620993E-01 Delta_et -0.2165875E+00 Pxc 0.7056387E+01 Qxc -0.4457350E+01 3,-1 143 3 -1 0.198158 -1.549212 -2.948808 Rho 0.1067140E+00 |GRAD(Rho)| 0.1292520E-12 GRAD(Rho)x 0.1188125E-12 GRAD(Rho)y -0.5075366E-13 GRAD(Rho)z 0.3704859E-14 Laplacian 0.4427771E+00 (-1/4)Del**2(Rho)) -0.1106943E+00 Diamond 0.5977135E+00 Metallicity 0.3736489E+01 Ellipticity 0.1060163E-01 Gb(Abramov) 0.1427308E+00 Vb(Abramov) -0.1747674E+00 Hb(Abramov) -0.3203657E-01 Ex_ueg -0.3738353E-01 Ec_ueg -0.5733527E-02 Delta_ex -0.4384418E-01 Delta_ec 0.1222939E-01 Delta_et -0.1539274E+00 Pxc 0.6520163E+01 Qxc -0.3585150E+01 3,-1 144 3 +3 1.273184 -1.275336 0.642124 Rho 0.4865749E-02 |GRAD(Rho)| 0.3759855E-16 GRAD(Rho)x -0.1812820E-16 GRAD(Rho)y -0.2394562E-16 GRAD(Rho)z -0.2261917E-16 Laplacian 0.1901364E-01 (-1/4)Del**2(Rho)) -0.4753409E-02 Diamond 0.1267554E-03 Metallicity 0.5063655E+00 Ellipticity -0.2402038E-01 Gb(Abramov) 0.3570100E-02 Vb(Abramov) -0.2386791E-02 Hb(Abramov) 0.1183309E-02 Ex_ueg -0.6089542E-03 Ec_ueg -0.1411400E-03 Delta_ex -0.6508455E-03 Delta_ec 0.8175391E-04 Delta_et -0.6499968E-03 Pxc 0.4314540E+01 Qxc -0.7961032E+01 3,+3 145 3 -1 0.338535 -1.494120 3.388746 Rho 0.1580611E+00 |GRAD(Rho)| 0.1548558E-15 GRAD(Rho)x 0.1085557E-15 GRAD(Rho)y 0.1606652E-16 GRAD(Rho)z 0.1092605E-15 Laplacian 0.6094570E+00 (-1/4)Del**2(Rho)) -0.1523642E+00 Diamond 0.1312109E+01 Metallicity 0.5224502E+01 Ellipticity 0.7244419E-01 Gb(Abramov) 0.2342474E+00 Vb(Abramov) -0.3161305E+00 Hb(Abramov) -0.8188314E-01 Ex_ueg -0.6311776E-01 Ec_ueg -0.8961519E-02 Delta_ex -0.6627175E-01 Delta_ec 0.1521066E-01 Delta_et -0.2037873E+00 Pxc 0.7043199E+01 Qxc -0.4356928E+01 3,-1 146 3 +3 1.341882 -1.339515 -1.342847 Rho 0.4797203E-02 |GRAD(Rho)| 0.3243618E-14 GRAD(Rho)x -0.3104022E-14 GRAD(Rho)y -0.3237529E-16 GRAD(Rho)z 0.9407766E-15 Laplacian 0.1986859E-01 (-1/4)Del**2(Rho)) -0.4967148E-02 Diamond 0.1819058E-03 Metallicity 0.4732525E+00 Ellipticity -0.2751245E+00 Gb(Abramov) 0.3703218E-02 Vb(Abramov) -0.2439288E-02 Hb(Abramov) 0.1263930E-02 Ex_ueg -0.5975431E-03 Ec_ueg -0.1381961E-03 Delta_ex -0.7284640E-03 Delta_ec 0.1765304E-03 Delta_et -0.1129224E-02 Pxc 0.4323878E+01 Qxc -0.4126563E+01 3,+3 147 3 -1 1.687142 -1.688524 -1.687825 Rho 0.5626894E-02 |GRAD(Rho)| 0.1792547E-16 GRAD(Rho)x -0.4288316E-17 GRAD(Rho)y 0.1114166E-16 GRAD(Rho)z 0.1337147E-16 Laplacian 0.2284139E-01 (-1/4)Del**2(Rho)) -0.5710348E-02 Diamond 0.7217582E-03 Metallicity 0.5370382E+00 Ellipticity 0.3296433E+01 Gb(Abramov) 0.4318011E-02 Vb(Abramov) -0.2925674E-02 Hb(Abramov) 0.1392337E-02 Ex_ueg -0.7391684E-03 Ec_ueg -0.1739896E-03 Delta_ex -0.1239322E-02 Delta_ec 0.8571937E-03 Delta_et -0.4768232E-02 Pxc 0.4248349E+01 Qxc -0.1445790E+01 3,-1 148 3 -1 1.078545 -2.197276 2.299160 Rho 0.1600140E+00 |GRAD(Rho)| 0.2793908E-11 GRAD(Rho)x -0.4936036E-12 GRAD(Rho)y -0.1906024E-11 GRAD(Rho)z -0.1982259E-11 Laplacian 0.6663359E+00 (-1/4)Del**2(Rho)) -0.1665840E+00 Diamond 0.1435460E+01 Metallicity 0.4877341E+01 Ellipticity 0.3281839E-01 Gb(Abramov) 0.2464705E+00 Vb(Abramov) -0.3263570E+00 Hb(Abramov) -0.7988649E-01 Ex_ueg -0.6415969E-01 Ec_ueg -0.9087604E-02 Delta_ex -0.7249100E-01 Delta_ec 0.1624545E-01 Delta_et -0.2171469E+00 Pxc 0.7060133E+01 Qxc -0.4462235E+01 3,-1 149 3 +1 -2.098643 1.847278 -0.168094 Rho 0.2643908E-01 |GRAD(Rho)| 0.3970161E-16 GRAD(Rho)x -0.3862721E-16 GRAD(Rho)y 0.4418099E-17 GRAD(Rho)z -0.8039723E-17 Laplacian 0.1011241E+00 (-1/4)Del**2(Rho)) -0.2528103E-01 Diamond 0.1376204E-01 Metallicity 0.1598953E+01 Ellipticity -0.3603339E+01 Gb(Abramov) 0.2359122E-01 Vb(Abramov) -0.2190140E-01 Hb(Abramov) 0.1689813E-02 Ex_ueg -0.5817194E-02 Ec_ueg -0.1161439E-02 Delta_ex -0.6331510E-02 Delta_ec 0.1621803E-02 Delta_et -0.1453038E-01 Pxc 0.5008608E+01 Qxc -0.3903995E+01 3,+1 150 3 +1 2.007531 -2.012502 1.010507 Rho 0.1138300E-01 |GRAD(Rho)| 0.1144514E-16 GRAD(Rho)x -0.3414337E-17 GRAD(Rho)y 0.8409264E-17 GRAD(Rho)z 0.6972643E-17 Laplacian 0.5588362E-01 (-1/4)Del**2(Rho)) -0.1397090E-01 Diamond 0.2090464E-02 Metallicity 0.7102695E+00 Ellipticity -0.1246358E+01 Gb(Abramov) 0.1096779E-01 Vb(Abramov) -0.7964670E-02 Hb(Abramov) 0.3003117E-02 Ex_ueg -0.1891156E-02 Ec_ueg -0.4311615E-03 Delta_ex -0.2711351E-02 Delta_ec 0.7295268E-03 Delta_et -0.5396608E-02 Pxc 0.4386189E+01 Qxc -0.3716588E+01 3,+1 151 3 +1 1.859156 -1.515659 -1.678705 Rho 0.5588494E-02 |GRAD(Rho)| 0.1459577E-12 GRAD(Rho)x -0.1152217E-12 GRAD(Rho)y 0.2677940E-13 GRAD(Rho)z -0.8550139E-13 Laplacian 0.2313916E-01 (-1/4)Del**2(Rho)) -0.5784791E-02 Diamond 0.6065184E-03 Metallicity 0.5241112E+00 Ellipticity -0.2901646E+01 Gb(Abramov) 0.4361840E-02 Vb(Abramov) -0.2938888E-02 Hb(Abramov) 0.1422951E-02 Ex_ueg -0.7324502E-03 Ec_ueg -0.1723253E-03 Delta_ex -0.1159473E-02 Delta_ec 0.6997821E-03 Delta_et -0.3940898E-02 Pxc 0.4250392E+01 Qxc -0.1656905E+01 3,+1 152 3 -1 1.734692 -1.982573 3.636097 Rho 0.2334063E+00 |GRAD(Rho)| 0.1266368E-12 GRAD(Rho)x -0.6739634E-13 GRAD(Rho)y 0.6237567E-13 GRAD(Rho)z -0.8720027E-13 Laplacian 0.8598679E+00 (-1/4)Del**2(Rho)) -0.2149670E+00 Diamond 0.2935854E+01 Metallicity 0.7090919E+01 Ellipticity 0.3088882E-02 Gb(Abramov) 0.3973635E+00 Vb(Abramov) -0.5797601E+00 Hb(Abramov) -0.1823966E+00 Ex_ueg -0.1061374E+00 Ec_ueg -0.1398450E-01 Delta_ex -0.1031100E+00 Delta_ec 0.1910255E-01 Delta_et -0.2641159E+00 Pxc 0.7589646E+01 Qxc -0.5397710E+01 3,-1 153 3 -1 2.928907 -1.572753 -0.175768 Rho 0.1047633E+00 |GRAD(Rho)| 0.4535647E-13 GRAD(Rho)x -0.4432396E-13 GRAD(Rho)y -0.2173900E-14 GRAD(Rho)z -0.9373905E-14 Laplacian 0.4335568E+00 (-1/4)Del**2(Rho)) -0.1083892E+00 Diamond 0.5723138E+00 Metallicity 0.3700404E+01 Ellipticity 0.1132798E-01 Gb(Abramov) 0.1391068E+00 Vb(Abramov) -0.1698243E+00 Hb(Abramov) -0.3071758E-01 Ex_ueg -0.3647517E-01 Ec_ueg -0.5614489E-02 Delta_ex -0.4274464E-01 Delta_ec 0.1202187E-01 Delta_et -0.1507763E+00 Pxc 0.6496615E+01 Qxc -0.3555575E+01 3,-1 154 3 -1 3.096691 -0.837129 0.973215 Rho 0.1599764E+00 |GRAD(Rho)| 0.5719480E-13 GRAD(Rho)x -0.5225051E-13 GRAD(Rho)y 0.1691504E-13 GRAD(Rho)z 0.1596908E-13 Laplacian 0.6661263E+00 (-1/4)Del**2(Rho)) -0.1665316E+00 Diamond 0.1433910E+01 Metallicity 0.4876966E+01 Ellipticity 0.3264725E-01 Gb(Abramov) 0.2463825E+00 Vb(Abramov) -0.3262335E+00 Hb(Abramov) -0.7985096E-01 Ex_ueg -0.6413960E-01 Ec_ueg -0.9085176E-02 Delta_ex -0.7245762E-01 Delta_ec 0.1622999E-01 Delta_et -0.2169047E+00 Pxc 0.7059809E+01 Qxc -0.4464428E+01 3,-1 155 3 -1 -3.154110 1.917070 0.014223 Rho 0.1074569E+00 |GRAD(Rho)| 0.6919724E-14 GRAD(Rho)x -0.6337614E-14 GRAD(Rho)y 0.2310333E-14 GRAD(Rho)z 0.1542591E-14 Laplacian 0.4179537E+00 (-1/4)Del**2(Rho)) -0.1044884E+00 Diamond 0.5677732E+00 Metallicity 0.4004441E+01 Ellipticity 0.2118287E-01 Gb(Abramov) 0.1393952E+00 Vb(Abramov) -0.1743021E+00 Hb(Abramov) -0.3490681E-01 Ex_ueg -0.3773091E-01 Ec_ueg -0.5778934E-02 Delta_ex -0.4143547E-01 Delta_ec 0.1149343E-01 Delta_et -0.1448112E+00 Pxc 0.6529042E+01 Qxc -0.3605143E+01 3,-1 156 3 -1 -2.576793 -0.516444 3.627470 Rho 0.2331910E+00 |GRAD(Rho)| 0.1568519E-15 GRAD(Rho)x -0.1084202E-17 GRAD(Rho)y 0.5651404E-16 GRAD(Rho)z 0.1463131E-15 Laplacian 0.8602850E+00 (-1/4)Del**2(Rho)) -0.2150713E+00 Diamond 0.2932981E+01 Metallicity 0.7076585E+01 Ellipticity 0.2909432E-02 Gb(Abramov) 0.3970425E+00 Vb(Abramov) -0.5790138E+00 Hb(Abramov) -0.1819713E+00 Ex_ueg -0.1060069E+00 Ec_ueg -0.1396970E-01 Delta_ex -0.1031295E+00 Delta_ec 0.1910674E-01 Delta_et -0.2641203E+00 Pxc 0.7588346E+01 Qxc -0.5397545E+01 3,-1 157 3 -1 -1.240765 3.330948 -0.976294 Rho 0.1076013E+00 |GRAD(Rho)| 0.1689221E-15 GRAD(Rho)x 0.3335616E-17 GRAD(Rho)y -0.3115175E-16 GRAD(Rho)z -0.1659914E-15 Laplacian 0.4172650E+00 (-1/4)Del**2(Rho)) -0.1043163E+00 Diamond 0.5678560E+00 Metallicity 0.4020042E+01 Ellipticity 0.2121336E-01 Gb(Abramov) 0.1394368E+00 Vb(Abramov) -0.1745573E+00 Hb(Abramov) -0.3512054E-01 Ex_ueg -0.3779856E-01 Ec_ueg -0.5787770E-02 Delta_ex -0.4138180E-01 Delta_ec 0.1147379E-01 Delta_et -0.1446044E+00 Pxc 0.6530764E+01 Qxc -0.3606638E+01 3,-1 158 3 -1 1.618068 2.925088 -0.321115 Rho 0.1618870E+00 |GRAD(Rho)| 0.3346928E-15 GRAD(Rho)x 0.2856873E-15 GRAD(Rho)y -0.1719003E-15 GRAD(Rho)z 0.2919553E-16 Laplacian 0.6741335E+00 (-1/4)Del**2(Rho)) -0.1685334E+00 Diamond 0.1472436E+01 Metallicity 0.4915345E+01 Ellipticity 0.3348327E-01 Gb(Abramov) 0.2504222E+00 Vb(Abramov) -0.3323110E+00 Hb(Abramov) -0.8188882E-01 Ex_ueg -0.6516301E-01 Ec_ueg -0.9208747E-02 Delta_ex -0.7354999E-01 Delta_ec 0.1638233E-01 Delta_et -0.2192718E+00 Pxc 0.7076208E+01 Qxc -0.4489593E+01 3,-1 159 3 -1 2.228369 2.353480 0.774001 Rho 0.1047130E+00 |GRAD(Rho)| 0.1300002E-15 GRAD(Rho)x -0.1121302E-15 GRAD(Rho)y 0.1484002E-16 GRAD(Rho)z -0.6408312E-16 Laplacian 0.4330508E+00 (-1/4)Del**2(Rho)) -0.1082627E+00 Diamond 0.5714845E+00 Metallicity 0.3701762E+01 Ellipticity 0.1176972E-01 Gb(Abramov) 0.1389689E+00 Vb(Abramov) -0.1696751E+00 Hb(Abramov) -0.3070622E-01 Ex_ueg -0.3645180E-01 Ec_ueg -0.5611421E-02 Delta_ex -0.4269268E-01 Delta_ec 0.1201400E-01 Delta_et -0.1506700E+00 Pxc 0.6496003E+01 Qxc -0.3553578E+01 3,-1 160 3 -1 -1.234693 1.356442 -1.666187 Rho 0.4789182E-01 |GRAD(Rho)| 0.1120786E-14 GRAD(Rho)x -0.3580327E-15 GRAD(Rho)y -0.9763182E-15 GRAD(Rho)z -0.4180620E-15 Laplacian 0.1872715E+00 (-1/4)Del**2(Rho)) -0.4681787E-01 Diamond 0.8945453E-01 Metallicity 0.2324041E+01 Ellipticity 0.9985220E-02 Gb(Abramov) 0.4934636E-01 Vb(Abramov) -0.5187484E-01 Hb(Abramov) -0.2528483E-02 Ex_ueg -0.1284498E-01 Ec_ueg -0.2298677E-02 Delta_ex -0.1524516E-01 Delta_ec 0.5575329E-02 Delta_et -0.5812936E-01 Pxc 0.5587989E+01 Qxc -0.2734396E+01 3,-1 161 3 -1 -1.097637 2.211171 -0.233891 Rho 0.4813207E-01 |GRAD(Rho)| 0.6926407E-16 GRAD(Rho)x -0.2750319E-16 GRAD(Rho)y 0.5929696E-16 GRAD(Rho)z 0.2291192E-16 Laplacian 0.1883323E+00 (-1/4)Del**2(Rho)) -0.4708306E-01 Diamond 0.9060589E-01 Metallicity 0.2330304E+01 Ellipticity 0.8877835E-02 Gb(Abramov) 0.4967502E-01 Vb(Abramov) -0.5226698E-01 Hb(Abramov) -0.2591956E-02 Ex_ueg -0.1293097E-01 Ec_ueg -0.2311884E-02 Delta_ex -0.1535217E-01 Delta_ec 0.5609180E-02 Delta_et -0.5855984E-01 Pxc 0.5593259E+01 Qxc -0.2736973E+01 3,-1 162 3 -1 1.364056 2.030878 2.290015 Rho 0.1609586E+00 |GRAD(Rho)| 0.1593428E-12 GRAD(Rho)x -0.9022492E-13 GRAD(Rho)y -0.2775488E-13 GRAD(Rho)z 0.1283715E-12 Laplacian 0.6706015E+00 (-1/4)Del**2(Rho)) -0.1676504E+00 Diamond 0.1453872E+01 Metallicity 0.4894095E+01 Ellipticity 0.3331020E-01 Gb(Abramov) 0.2485164E+00 Vb(Abramov) -0.3293824E+00 Hb(Abramov) -0.8086602E-01 Ex_ueg -0.6466521E-01 Ec_ueg -0.9148675E-02 Delta_ex -0.7305282E-01 Delta_ec 0.1630817E-01 Delta_et -0.2180967E+00 Pxc 0.7068260E+01 Qxc -0.4479522E+01 3,-1 163 3 -1 -4.365677 1.028263 -0.107357 Rho 0.2333255E+00 |GRAD(Rho)| 0.7911087E-15 GRAD(Rho)x -0.7605678E-15 GRAD(Rho)y 0.1717783E-15 GRAD(Rho)z 0.1337228E-15 Laplacian 0.8591596E+00 (-1/4)Del**2(Rho)) -0.2147899E+00 Diamond 0.2933018E+01 Metallicity 0.7092669E+01 Ellipticity 0.3044320E-02 Gb(Abramov) 0.3970989E+00 Vb(Abramov) -0.5794079E+00 Hb(Abramov) -0.1823090E+00 Ex_ueg -0.1060884E+00 Ec_ueg -0.1397895E-01 Delta_ex -0.1030202E+00 Delta_ec 0.1909669E-01 Delta_et -0.2640651E+00 Pxc 0.7589158E+01 Qxc -0.5394665E+01 3,-1 164 3 -1 -1.682087 1.920107 -3.685702 Rho 0.2333861E+00 |GRAD(Rho)| 0.9014804E-14 GRAD(Rho)x 0.1853118E-14 GRAD(Rho)y -0.6529553E-14 GRAD(Rho)z 0.5932754E-14 Laplacian 0.8595058E+00 (-1/4)Del**2(Rho)) -0.2148764E+00 Diamond 0.2935042E+01 Metallicity 0.7092881E+01 Ellipticity 0.3130048E-02 Gb(Abramov) 0.3972665E+00 Vb(Abramov) -0.5796565E+00 Hb(Abramov) -0.1823900E+00 Ex_ueg -0.1061252E+00 Ec_ueg -0.1398311E-01 Delta_ex -0.1030683E+00 Delta_ec 0.1910219E-01 Delta_et -0.2641408E+00 Pxc 0.7589524E+01 Qxc -0.5395627E+01 3,-1 165 3 -1 -1.375516 2.523328 -2.346754 Rho 0.1574193E+00 |GRAD(Rho)| 0.8657268E-14 GRAD(Rho)x -0.1403745E-15 GRAD(Rho)y -0.7065258E-14 GRAD(Rho)z -0.5001072E-14 Laplacian 0.6069934E+00 (-1/4)Del**2(Rho)) -0.1517483E+00 Diamond 0.1300317E+01 Metallicity 0.5210256E+01 Ellipticity 0.7289759E-01 Gb(Abramov) 0.2329402E+00 Vb(Abramov) -0.3141320E+00 Hb(Abramov) -0.8119183E-01 Ex_ueg -0.6277628E-01 Ec_ueg -0.8920134E-02 Delta_ex -0.6593629E-01 Delta_ec 0.1516277E-01 Delta_et -0.2030339E+00 Pxc 0.7037595E+01 Qxc -0.4348564E+01 3,-1 166 3 -1 0.621725 0.167563 -0.228551 Rho 0.1390520E+00 |GRAD(Rho)| 0.2828151E-15 GRAD(Rho)x -0.2490917E-15 GRAD(Rho)y -0.6352360E-16 GRAD(Rho)z 0.1179086E-15 Laplacian 0.7357840E+00 (-1/4)Del**2(Rho)) -0.1839460E+00 Diamond 0.1646100E+01 Metallicity 0.3495356E+01 Ellipticity 0.2934634E-03 Gb(Abramov) 0.2297901E+00 Vb(Abramov) -0.2756343E+00 Hb(Abramov) -0.4584413E-01 Ex_ueg -0.5320527E-01 Ec_ueg -0.7746410E-02 Delta_ex -0.8070354E-01 Delta_ec 0.2462281E-01 Delta_et -0.3357434E+00 Pxc 0.6868378E+01 Qxc -0.3277593E+01 3,-1 167 3 -1 2.462119 -0.152580 -0.235834 Rho 0.4818249E-01 |GRAD(Rho)| 0.9229650E-16 GRAD(Rho)x 0.6944018E-16 GRAD(Rho)y -0.5618560E-16 GRAD(Rho)z 0.2323538E-16 Laplacian 0.1884345E+00 (-1/4)Del**2(Rho)) -0.4710863E-01 Diamond 0.9076583E-01 Metallicity 0.2333107E+01 Ellipticity 0.1002072E-01 Gb(Abramov) 0.4972400E-01 Vb(Abramov) -0.5233937E-01 Hb(Abramov) -0.2615372E-02 Ex_ueg -0.1294903E-01 Ec_ueg -0.2314657E-02 Delta_ex -0.1536372E-01 Delta_ec 0.5610695E-02 Delta_et -0.5859139E-01 Pxc 0.5594363E+01 Qxc -0.2738291E+01 3,-1 168 3 -1 2.874939 -0.072770 -2.347538 Rho 0.1579674E+00 |GRAD(Rho)| 0.2609389E-15 GRAD(Rho)x 0.2215838E-15 GRAD(Rho)y 0.9587058E-16 GRAD(Rho)z 0.9898766E-16 Laplacian 0.6089351E+00 (-1/4)Del**2(Rho)) -0.1522338E+00 Diamond 0.1309638E+01 Metallicity 0.5223815E+01 Ellipticity 0.7342062E-01 Gb(Abramov) 0.2340294E+00 Vb(Abramov) -0.3158250E+00 Hb(Abramov) -0.8179559E-01 Ex_ueg -0.6306788E-01 Ec_ueg -0.8955476E-02 Delta_ex -0.6620143E-01 Delta_ec 0.1519303E-01 Delta_et -0.2035184E+00 Pxc 0.7042382E+01 Qxc -0.4357354E+01 3,-1 169 3 -1 4.341572 -1.097976 0.170201 Rho 0.2332320E+00 |GRAD(Rho)| 0.6071226E-15 GRAD(Rho)x 0.5539189E-15 GRAD(Rho)y -0.2481197E-15 GRAD(Rho)z -0.1443344E-16 Laplacian 0.8597695E+00 (-1/4)Del**2(Rho)) -0.2149424E+00 Diamond 0.2932202E+01 Metallicity 0.7082905E+01 Ellipticity 0.3173024E-02 Gb(Abramov) 0.3970310E+00 Vb(Abramov) -0.5791196E+00 Hb(Abramov) -0.1820886E+00 Ex_ueg -0.1060318E+00 Ec_ueg -0.1397252E-01 Delta_ex -0.1030744E+00 Delta_ec 0.1909784E-01 Delta_et -0.2640143E+00 Pxc 0.7588594E+01 Qxc -0.5397175E+01 3,-1 170 3 -1 -3.129066 -3.206830 0.160882 Rho 0.2332049E+00 |GRAD(Rho)| 0.2625688E-13 GRAD(Rho)x 0.2153795E-13 GRAD(Rho)y 0.1500633E-13 GRAD(Rho)z -0.5920354E-15 Laplacian 0.8597810E+00 (-1/4)Del**2(Rho)) -0.2149453E+00 Diamond 0.2931998E+01 Metallicity 0.7081439E+01 Ellipticity 0.3220543E-02 Gb(Abramov) 0.3969838E+00 Vb(Abramov) -0.5790224E+00 Hb(Abramov) -0.1820386E+00 Ex_ueg -0.1060153E+00 Ec_ueg -0.1397065E-01 Delta_ex -0.1030736E+00 Delta_ec 0.1910040E-01 Delta_et -0.2640554E+00 Pxc 0.7588430E+01 Qxc -0.5396411E+01 3,-1 171 3 -1 -1.634335 -3.329808 0.143914 Rho 0.1578008E+00 |GRAD(Rho)| 0.2079629E-11 GRAD(Rho)x 0.1561621E-11 GRAD(Rho)y -0.1365836E-11 GRAD(Rho)z 0.1438378E-12 Laplacian 0.6089561E+00 (-1/4)Del**2(Rho)) -0.1522390E+00 Diamond 0.1308203E+01 Metallicity 0.5214457E+01 Ellipticity 0.7269036E-01 Gb(Abramov) 0.2338000E+00 Vb(Abramov) -0.3153610E+00 Hb(Abramov) -0.8156097E-01 Ex_ueg -0.6297922E-01 Ec_ueg -0.8944732E-02 Delta_ex -0.6618807E-01 Delta_ec 0.1520058E-01 Delta_et -0.2035992E+00 Pxc 0.7040928E+01 Qxc -0.4354312E+01 3,-1 172 3 -1 -0.117718 -2.792471 -2.406566 Rho 0.1083684E+00 |GRAD(Rho)| 0.7855527E-15 GRAD(Rho)x -0.4469759E-15 GRAD(Rho)y -0.5897382E-16 GRAD(Rho)z -0.6432944E-15 Laplacian 0.4205910E+00 (-1/4)Del**2(Rho)) -0.1051477E+00 Diamond 0.5771246E+00 Metallicity 0.4035752E+01 Ellipticity 0.2224030E-01 Gb(Abramov) 0.1408235E+00 Vb(Abramov) -0.1764993E+00 Hb(Abramov) -0.3567579E-01 Ex_ueg -0.3815828E-01 Ec_ueg -0.5834711E-02 Delta_ex -0.4177866E-01 Delta_ec 0.1154187E-01 Delta_et -0.1456512E+00 Pxc 0.6539874E+01 Qxc -0.3619746E+01 3,-1 173 3 -1 0.001491 -0.001268 0.682504 Rho 0.1388602E+00 |GRAD(Rho)| 0.5847201E-15 GRAD(Rho)x -0.2296546E-17 GRAD(Rho)y 0.1769191E-17 GRAD(Rho)z -0.5847129E-15 Laplacian 0.7339457E+00 (-1/4)Del**2(Rho)) -0.1834864E+00 Diamond 0.1639071E+01 Metallicity 0.3496059E+01 Ellipticity 0.4164702E-03 Gb(Abramov) 0.2292375E+00 Vb(Abramov) -0.2749886E+00 Hb(Abramov) -0.4575110E-01 Ex_ueg -0.5310744E-01 Ec_ueg -0.7734265E-02 Delta_ex -0.8047434E-01 Delta_ec 0.2456481E-01 Delta_et -0.3348535E+00 Pxc 0.6866515E+01 Qxc -0.3276001E+01 3,-1 174 3 -1 0.654476 -3.456639 -1.178175 Rho 0.1567283E+00 |GRAD(Rho)| 0.7288853E-16 GRAD(Rho)x -0.5712390E-17 GRAD(Rho)y 0.6822003E-17 GRAD(Rho)z 0.7234339E-16 Laplacian 0.6041774E+00 (-1/4)Del**2(Rho)) -0.1510443E+00 Diamond 0.1287295E+01 Metallicity 0.5196305E+01 Ellipticity 0.7227411E-01 Gb(Abramov) 0.2315083E+00 Vb(Abramov) -0.3119723E+00 Hb(Abramov) -0.8046396E-01 Ex_ueg -0.6240918E-01 Ec_ueg -0.8875607E-02 Delta_ex -0.6555739E-01 Delta_ec 0.1510634E-01 Delta_et -0.2021554E+00 Pxc 0.7031539E+01 Qxc -0.4339728E+01 3,-1 175 3 -1 0.030590 2.365851 2.342841 Rho 0.1046855E+00 |GRAD(Rho)| 0.1883085E-13 GRAD(Rho)x 0.1183046E-13 GRAD(Rho)y -0.7314140E-14 GRAD(Rho)z 0.1269427E-13 Laplacian 0.4330173E+00 (-1/4)Del**2(Rho)) -0.1082543E+00 Diamond 0.5711025E+00 Metallicity 0.3700427E+01 Ellipticity 0.1161892E-01 Gb(Abramov) 0.1389341E+00 Vb(Abramov) -0.1696139E+00 Hb(Abramov) -0.3067977E-01 Ex_ueg -0.3643904E-01 Ec_ueg -0.5609745E-02 Delta_ex -0.4268423E-01 Delta_ec 0.1200926E-01 Delta_et -0.1505971E+00 Pxc 0.6495668E+01 Qxc -0.3554275E+01 3,-1 176 3 -1 1.126549 1.034861 3.384310 Rho 0.1576332E+00 |GRAD(Rho)| 0.1531301E-15 GRAD(Rho)x -0.7521653E-16 GRAD(Rho)y -0.1333840E-15 GRAD(Rho)z -0.1219727E-18 Laplacian 0.6074711E+00 (-1/4)Del**2(Rho)) -0.1518678E+00 Diamond 0.1303681E+01 Metallicity 0.5217956E+01 Ellipticity 0.7243636E-01 Gb(Abramov) 0.2333184E+00 Vb(Abramov) -0.3147690E+00 Hb(Abramov) -0.8145062E-01 Ex_ueg -0.6289006E-01 Ec_ueg -0.8933926E-02 Delta_ex -0.6601240E-01 Delta_ec 0.1517312E-01 Delta_et -0.2032171E+00 Pxc 0.7039465E+01 Qxc -0.4350616E+01 3,-1 177 3 -1 2.037079 -1.209821 2.348332 Rho 0.1052916E+00 |GRAD(Rho)| 0.2704157E-12 GRAD(Rho)x 0.1988693E-12 GRAD(Rho)y 0.7905047E-13 GRAD(Rho)z -0.1653079E-12 Laplacian 0.4357836E+00 (-1/4)Del**2(Rho)) -0.1089459E+00 Diamond 0.5785525E+00 Metallicity 0.3712490E+01 Ellipticity 0.1084932E-01 Gb(Abramov) 0.1400407E+00 Vb(Abramov) -0.1711355E+00 Hb(Abramov) -0.3109480E-01 Ex_ueg -0.3672063E-01 Ec_ueg -0.5646700E-02 Delta_ex -0.4301163E-01 Delta_ec 0.1206436E-01 Delta_et -0.1514488E+00 Pxc 0.6503026E+01 Qxc -0.3565181E+01 3,-1 178 3 -1 -3.341105 -0.054512 -0.313647 Rho 0.1602719E+00 |GRAD(Rho)| 0.1243782E-15 GRAD(Rho)x -0.3456233E-16 GRAD(Rho)y 0.1194520E-15 GRAD(Rho)z -0.2568204E-17 Laplacian 0.6677855E+00 (-1/4)Del**2(Rho)) -0.1669464E+00 Diamond 0.1441554E+01 Metallicity 0.4879835E+01 Ellipticity 0.3261167E-01 Gb(Abramov) 0.2470760E+00 Vb(Abramov) -0.3272057E+00 Hb(Abramov) -0.8012966E-01 Ex_ueg -0.6429762E-01 Ec_ueg -0.9104273E-02 Delta_ex -0.7267955E-01 Delta_ec 0.1627709E-01 Delta_et -0.2176201E+00 Pxc 0.7062356E+01 Qxc -0.4465143E+01 3,-1 179 3 -1 -3.322959 1.161515 -1.178528 Rho 0.1571990E+00 |GRAD(Rho)| 0.9032419E-15 GRAD(Rho)x 0.5167545E-15 GRAD(Rho)y 0.2958042E-15 GRAD(Rho)z -0.6791985E-15 Laplacian 0.6060482E+00 (-1/4)Del**2(Rho)) -0.1515120E+00 Diamond 0.1296098E+01 Metallicity 0.5206216E+01 Ellipticity 0.7263607E-01 Gb(Abramov) 0.2324755E+00 Vb(Abramov) -0.3134389E+00 Hb(Abramov) -0.8096340E-01 Ex_ueg -0.6265918E-01 Ec_ueg -0.8905934E-02 Delta_ex -0.6581068E-01 Delta_ec 0.1514430E-01 Delta_et -0.2027492E+00 Pxc 0.7035666E+01 Qxc -0.4345574E+01 3,-1 180 3 -1 -0.823131 3.101507 0.971387 Rho 0.1607783E+00 |GRAD(Rho)| 0.3111280E-13 GRAD(Rho)x 0.2873213E-13 GRAD(Rho)y 0.2465428E-14 GRAD(Rho)z 0.1167873E-13 Laplacian 0.6692780E+00 (-1/4)Del**2(Rho)) -0.1673195E+00 Diamond 0.1449174E+01 Metallicity 0.4894618E+01 Ellipticity 0.3339443E-01 Gb(Abramov) 0.2480405E+00 Vb(Abramov) -0.3287615E+00 Hb(Abramov) -0.8072101E-01 Ex_ueg -0.6456862E-01 Ec_ueg -0.9137010E-02 Delta_ex -0.7288940E-01 Delta_ec 0.1628268E-01 Delta_et -0.2177317E+00 Pxc 0.7066712E+01 Qxc -0.4476500E+01 3,-1 181 3 -1 -0.085168 -3.684862 0.013357 Rho 0.1074819E+00 |GRAD(Rho)| 0.1556453E-14 GRAD(Rho)x 0.1478242E-14 GRAD(Rho)y 0.4760969E-15 GRAD(Rho)z -0.1033346E-15 Laplacian 0.4174311E+00 (-1/4)Del**2(Rho)) -0.1043578E+00 Diamond 0.5671111E+00 Metallicity 0.4011011E+01 Ellipticity 0.2146391E-01 Gb(Abramov) 0.1393352E+00 Vb(Abramov) -0.1743127E+00 Hb(Abramov) -0.3497744E-01 Ex_ueg -0.3774263E-01 Ec_ueg -0.5780465E-02 Delta_ex -0.4138419E-01 Delta_ec 0.1147537E-01 Delta_et -0.1445858E+00 Pxc 0.6529341E+01 Qxc -0.3606348E+01 3,-1 182 3 -1 0.918502 -3.106336 0.786295 Rho 0.1061471E+00 |GRAD(Rho)| 0.1633422E-12 GRAD(Rho)x 0.9331955E-14 GRAD(Rho)y -0.6974682E-13 GRAD(Rho)z -0.1474075E-12 Laplacian 0.4400736E+00 (-1/4)Del**2(Rho)) -0.1100184E+00 Diamond 0.5901713E+00 Metallicity 0.3726219E+01 Ellipticity 0.1084868E-01 Gb(Abramov) 0.1416710E+00 Vb(Abramov) -0.1733237E+00 Hb(Abramov) -0.3165264E-01 Ex_ueg -0.3711899E-01 Ec_ueg -0.5698905E-02 Delta_ex -0.4352063E-01 Delta_ec 0.1216665E-01 Delta_et -0.1529781E+00 Pxc 0.6513354E+01 Qxc -0.3577044E+01 3,-1 183 3 -1 3.067719 3.271161 -0.117880 Rho 0.2333472E+00 |GRAD(Rho)| 0.8068535E-14 GRAD(Rho)x -0.1535447E-14 GRAD(Rho)y -0.4795264E-14 GRAD(Rho)z -0.6304690E-14 Laplacian 0.8598101E+00 (-1/4)Del**2(Rho)) -0.2149525E+00 Diamond 0.2934554E+01 Metallicity 0.7088402E+01 Ellipticity 0.3472907E-02 Gb(Abramov) 0.3972466E+00 Vb(Abramov) -0.5795408E+00 Hb(Abramov) -0.1822941E+00 Ex_ueg -0.1061016E+00 Ec_ueg -0.1398044E-01 Delta_ex -0.1030951E+00 Delta_ec 0.1910063E-01 Delta_et -0.2640780E+00 Pxc 0.7589289E+01 Qxc -0.5397471E+01 3,-1 184 3 -1 1.548180 -0.402156 -2.950387 Rho 0.1598596E+00 |GRAD(Rho)| 0.9019696E-14 GRAD(Rho)x 0.5983861E-14 GRAD(Rho)y 0.6692807E-14 GRAD(Rho)z 0.8687136E-15 Laplacian 0.6663168E+00 (-1/4)Del**2(Rho)) -0.1665792E+00 Diamond 0.1433941E+01 Metallicity 0.4869639E+01 Ellipticity 0.3257958E-01 Gb(Abramov) 0.2462496E+00 Vb(Abramov) -0.3259199E+00 Hb(Abramov) -0.7967036E-01 Ex_ueg -0.6407715E-01 Ec_ueg -0.9077626E-02 Delta_ex -0.7247319E-01 Delta_ec 0.1625202E-01 Delta_et -0.2172172E+00 Pxc 0.7058801E+01 Qxc -0.4459333E+01 3,-1 185 3 -1 2.506744 0.493087 -3.686616 Rho 0.2333882E+00 |GRAD(Rho)| 0.2752547E-15 GRAD(Rho)x -0.2281432E-15 GRAD(Rho)y -0.7922807E-16 GRAD(Rho)z 0.1320558E-15 Laplacian 0.8602850E+00 (-1/4)Del**2(Rho)) -0.2150713E+00 Diamond 0.2936530E+01 Metallicity 0.7086564E+01 Ellipticity 0.2989591E-02 Gb(Abramov) 0.3974002E+00 Vb(Abramov) -0.5797292E+00 Hb(Abramov) -0.1823290E+00 Ex_ueg -0.1061265E+00 Ec_ueg -0.1398326E-01 Delta_ex -0.1031553E+00 Delta_ec 0.1910757E-01 Delta_et -0.2641645E+00 Pxc 0.7589537E+01 Qxc -0.5398663E+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 55 59 137 116 63 156 130 131 182 174 181 128 102 184 101 168 133 185 161 180 127 113 157 138 132 177 148 129 145 152 105 159 158 108 107 183 160 114 142 68 165 164 78 112 136 135 171 170 120 123 143 73 172 118 65 178 62 179 155 163 92 162 175 176 141 97 167 154 153 110 109 169 173 125 166 87 64 103 147 72 98 119 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 17 18 21 22 25 26 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 19 20 23 24 27 28 2.378308 1.864301 2.026662 1.881929 2.034004 1.727301 2.380215 1.860788 2.028166 1.883660 2.036331 1.727297 2.381273 1.862815 2.029226 1.880497 2.036373 1.726970 2.381231 1.860676 2.033543 1.879669 2.036022 1.727116 2.383382 2.031633 1.862552 2.033679 1.880239 1.726955 2.383100 2.033893 1.857885 2.040604 1.879146 1.727044 2.383521 2.028293 1.863641 2.034881 1.881889 1.727030 2.381316 2.028478 1.864599 2.032514 1.880900 1.727290 2.384342 1.863569 2.025922 1.883349 2.033067 1.727050 2.383590 1.861913 2.025517 1.882468 2.036207 1.727149 2.380347 1.860127 2.033969 1.881304 2.035578 1.727116 2.380915 1.862616 2.033670 1.878462 2.036671 1.727219 1.652768 1.651532 1.652211 1.651717 3.242865 3.237642 3.240165 3.235266 3.240120 3.235293 2.379039 1.864930 2.027120 1.882608 2.034708 1.727327 2.380954 1.861421 2.028617 1.884340 2.037034 1.727319 2.382014 1.863445 2.029683 1.881174 2.037074 1.726996 2.381973 1.861312 2.033990 1.880329 2.036729 1.727138 2.384107 2.032083 1.863189 2.034382 1.880903 1.726979 2.383840 2.034342 1.858516 2.041310 1.879811 1.727068 2.384267 2.028749 1.864269 2.035587 1.882565 1.727055 2.382068 2.028932 1.865232 2.033217 1.881570 1.727313 2.385094 1.864205 2.026377 1.884033 2.033770 1.727071 2.384335 1.862540 2.025970 1.883146 2.036910 1.727172 2.381081 1.860761 2.034419 1.881968 2.036283 1.727141 2.381655 1.863248 2.034123 1.879131 2.037374 1.727245 1.652769 1.651533 1.652212 1.651718 3.251064 3.245816 3.248347 3.243461 3.248522 3.243243 27 24 25 24 27 23 27 26 24 24 24 22 30 24 25 23 24 22 27 24 24 23 24 24 27 24 24 24 25 24 27 25 24 27 23 24 27 24 25 26 24 22 30 24 25 24 23 22 30 27 26 26 24 22 30 24 25 23 24 22 27 23 24 24 24 26 27 25 24 24 24 23 22 21 23 21 35 35 35 35 35 35 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 Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo 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 Si 2.3724 2.3723 2.3724 2.3729 2.3718 2.3737 2.3726 2.3725 2.3732 2.3722 2.3727 2.3732 -1.1592 -1.1591 -1.1590 -1.1582 -0.8975 -0.8974 -0.8976 -0.8973 -0.8971 -0.8970 -0.8978 -0.8979 -0.8978 -0.8983 -0.8974 -0.8975 -0.8893 -0.8894 -0.8884 -0.8893 -0.8884 -0.8887 -0.8892 -0.8897 -0.8886 -0.8890 -0.8892 -0.8894 -0.6919 -0.6926 -0.6918 -0.6925 -0.6920 -0.6923 -0.6924 -0.6924 -0.6924 -0.6928 -0.6920 -0.6924 1.9102 1.8940 1.8940 1.8940 1.8942 1.8934 1.8937 1.8947 1.8939 1.8936 1.8935 1.8942 1.8945 1.8991 1.8991 1.8992 1.8991 1.9472 1.9472 1.9471 1.9474 1.9474 1.9473 1.9471 1.9470 1.9472 1.9470 1.9476 1.9472 1.9549 1.9547 1.9551 1.9548 1.9548 1.9549 1.9549 1.9547 1.9549 1.9548 1.9550 1.9550 1.9796 1.9796 1.9797 1.9796 1.9797 1.9797 1.9797 1.9796 1.9796 1.9796 1.9797 1.9796 2.3082 6.0831 6.0834 6.0835 6.0829 6.0839 6.0829 6.0830 6.0831 6.0831 6.0835 6.0832 6.0827 5.2320 5.2319 5.2317 5.2309 4.9230 4.9230 4.9232 4.9226 4.9225 4.9224 4.9234 4.9237 4.9235 4.9242 4.9223 4.9230 4.9049 4.9053 4.9039 4.9052 4.9042 4.9043 4.9047 4.9057 4.9042 4.9048 4.9046 4.9049 4.6783 4.6790 4.6780 4.6788 4.6783 4.6785 4.6787 4.6788 4.6787 4.6792 4.6783 4.6788 7.1896 3.6505 3.6503 3.6502 3.6500 3.6509 3.6496 3.6497 3.6505 3.6502 3.6508 3.6498 3.6496 0.0281 0.0282 0.0281 0.0281 0.0273 0.0272 0.0272 0.0273 0.0273 0.0273 0.0273 0.0273 0.0272 0.0272 0.0275 0.0273 0.0295 0.0294 0.0294 0.0294 0.0294 0.0294 0.0295 0.0293 0.0294 0.0294 0.0296 0.0295 0.0340 0.0340 0.0341 0.0340 0.0341 0.0341 0.0341 0.0340 0.0341 0.0340 0.0340 0.0340 0.5920 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 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 Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo Mo 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 Si 3.180855 3.180262 3.180552 3.180129 3.180233 3.179843 3.179934 3.180718 3.180568 3.180512 3.179758 3.179626 -1.202793 -1.202138 -1.202085 -1.201764 -1.165396 -1.164928 -1.165329 -1.164479 -1.164449 -1.164366 -1.166031 -1.165962 -1.165476 -1.166040 -1.164702 -1.165344 -1.139840 -1.139724 -1.138417 -1.139520 -1.138667 -1.138953 -1.139619 -1.139798 -1.138999 -1.138904 -1.139753 -1.139727 -0.954397 -0.955347 -0.954471 -0.954995 -0.954862 -0.954897 -0.955081 -0.955005 -0.955133 -0.955323 -0.954641 -0.955187 1.759549 2.389431 2.389654 2.390001 2.390006 2.389786 2.389974 2.389668 2.389727 2.390013 2.389782 2.389479 2.389479 -0.942688 -0.942415 -0.942414 -0.942344 -0.903986 -0.904634 -0.904239 -0.904020 -0.904076 -0.903968 -0.904187 -0.903953 -0.904548 -0.904343 -0.904014 -0.903827 -0.909086 -0.909160 -0.908882 -0.909532 -0.908651 -0.908545 -0.908916 -0.909686 -0.908759 -0.909035 -0.908364 -0.908917 -0.705703 -0.706465 -0.705197 -0.705735 -0.705415 -0.705296 -0.706118 -0.706176 -0.706068 -0.706293 -0.705528 -0.706121 1.320304 2.464687 2.463480 2.464686 2.463417 2.462248 2.462261 2.463058 2.462797 2.463630 2.462887 2.462931 2.462966 -0.949657 -0.944425 -0.944520 -0.939338 -0.980667 -0.983484 -0.979935 -0.980575 -0.980969 -0.981200 -0.982547 -0.982630 -0.981823 -0.982207 -0.981007 -0.981700 -0.945456 -0.946429 -0.944193 -0.946241 -0.945059 -0.945386 -0.945001 -0.945822 -0.945415 -0.945940 -0.944597 -0.945514 -0.664865 -0.665458 -0.665132 -0.665694 -0.663866 -0.665023 -0.666332 -0.665238 -0.666233 -0.666548 -0.664809 -0.665634 1.327520 0.08691499 0.07551515 0.00324746 0.11518376 -0.08646148 0.11020636 -0.05051117 -0.14938796 -0.03607049 0.23584944 -342.1069 413.6124 -163.8559 -339.6476 -18.5857 -450.5837 Mar02-2024 13:15:20 Nodes: 1 Procs: 1 Mar02-2024 13:15:20 Nodes: 1 Procs: 1 0 Mar02-2024 13:15:21 Nodes: 1 Procs: 1 Mar02-2024 13:15:21 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Mar02-2024 13:15:22 Nodes: 1 Procs: 1 Mar02-2024 13:15:22 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar02-2024 13:15:24 Nodes: 1 Procs: 24 *** (NO TITLE) *** -4 -16.51719943 -16.54383237 -16.55163293 -16.55571729 -16.55744410 -16.55813353 -16.55823812 -16.55841288 -16.55846144 -16.55851494 -16.55855695 -16.55861222 -16.55864693 GEOMETRY CONVERGED