ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.06 1.55 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 Jun10-2024 16:31:06 Nodes: 1 Procs: 1 Jun10-2024 16:31:08 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.51 0.06 1.96 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 Jun10-2024 16:31:06 Nodes: 1 Procs: 1 Jun10-2024 16:31:08 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:10 Nodes: 1 Procs: 1 Jun10-2024 16:31:12 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:15 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.59 0.08 2.13 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 Jun10-2024 16:31:06 Nodes: 1 Procs: 1 Jun10-2024 16:31:08 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:10 Nodes: 1 Procs: 1 Jun10-2024 16:31:12 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:31:15 Nodes: 1 Procs: 1 Jun10-2024 16:31:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.06 1.52 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 Jun10-2024 16:31:06 Nodes: 1 Procs: 1 Jun10-2024 16:31:08 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:10 Nodes: 1 Procs: 1 Jun10-2024 16:31:12 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:31:15 Nodes: 1 Procs: 1 Jun10-2024 16:31:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:31:19 Nodes: 1 Procs: 1 Jun10-2024 16:31:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:23 Hydrogen (TZP) c2-15 c2-15 c2-15 c2-15 c2-15 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.09 3.29 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 Jun10-2024 16:31:06 Nodes: 1 Procs: 1 Jun10-2024 16:31:08 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:10 Nodes: 1 Procs: 1 Jun10-2024 16:31:12 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:31:15 Nodes: 1 Procs: 1 Jun10-2024 16:31:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:31:19 Nodes: 1 Procs: 1 Jun10-2024 16:31:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 16:31:23 Nodes: 1 Procs: 1 Jun10-2024 16:31:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 16:31:31 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2193.7381999999993 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231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -6.309 -6.268 -6.205 -6.168 -6.112 -6.082 -6.062 -6.013 -5.796 -5.767 -3.273 -3.192 -2.986 -2.956 -2.829 -2.781 -2.641 -2.612 -2.592 -2.511 A A A A A A A A A A A A A A A A A A A A 0.00000000077582 0.00040126025171 0.00023852856228 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 42 42 42 42 42 42 33 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 0.096699 -2.618871 2.510961 2.492860 -2.609260 -0.026485 -2.691037 -2.493152 -0.115724 -2.492708 -0.228854 -2.731138 2.548296 -0.173201 2.585272 2.513755 0.000345 -2.669448 -0.071179 -0.091179 -0.074786 0.124589 2.526961 -2.501545 -0.068239 2.577447 2.502732 2.622217 2.505091 -0.119883 -2.591275 2.458555 0.090721 -2.493530 0.135890 2.629027 0.940663 -1.053022 0.909506 -1.073707 -1.039129 -1.048922 0.955142 0.914848 -1.014722 -0.974009 0.942825 0.974368 -3.006760 -1.120614 1.170908 3.041930 -1.153189 -1.145108 -3.012321 1.128849 -1.080854 2.996712 1.190147 1.205825 1.351825 -1.154243 -3.261336 1.100161 1.163359 2.993101 -1.134633 1.134445 -3.012705 -1.162295 -1.136341 3.043477 -1.146502 2.986207 -1.121362 -1.193728 -3.001763 1.212033 1.140676 3.040566 1.138530 1.236516 -3.254785 -1.076335 3.405351 -1.472450 1.592703 -3.490705 -1.573570 -1.560642 3.457695 1.565114 -1.462658 -3.431356 1.494329 1.576522 1.444134 -1.476488 3.459859 1.542489 1.569697 -3.412339 -1.515844 1.540233 3.456721 -1.841035 -1.454125 -3.790135 -1.631711 -3.684758 -1.249188 -1.526588 3.381501 1.526445 1.554606 -3.428057 1.610944 1.500606 3.414576 -1.466789 -0.232071 -3.776552 3.760938 3.869430 -0.146971 -3.759349 -0.209759 3.751375 -3.695296 0.241535 3.787158 3.722027 3.820126 -3.733799 -0.168202 3.782679 3.756724 0.240226 -3.791761 3.694385 -0.209549 -3.947069 -3.616178 0.287395 -3.857008 0.372020 -3.641407 -3.712836 -0.202649 3.827647 3.699607 0.205961 3.827674 -0.672129 -3.424709 -1.245355 1 3 -3 0.096699 -2.618871 2.510961 Rho 0.1240649E+06 3,-3 2 3 -3 2.492860 -2.609260 -0.026485 Rho 0.1240648E+06 3,-3 3 3 -3 -2.691037 -2.493152 -0.115724 Rho 0.1240649E+06 3,-3 4 3 -3 -2.492708 -0.228854 -2.731138 Rho 0.1240647E+06 3,-3 5 3 -3 2.548296 -0.173201 2.585272 Rho 0.1240650E+06 3,-3 6 3 -3 2.513755 0.000345 -2.669448 Rho 0.1240648E+06 3,-3 7 3 -3 -0.071179 -0.091179 -0.074786 Rho 0.4276088E+05 3,-3 8 3 -3 0.124589 2.526961 -2.501545 Rho 0.4361414E+07 3,-3 9 3 -3 -0.068239 2.577447 2.502732 Rho 0.4361414E+07 3,-3 10 3 -3 2.622217 2.505091 -0.119883 Rho 0.4361414E+07 3,-3 11 3 -3 -2.591275 2.458555 0.090721 Rho 0.4361414E+07 3,-3 12 3 -3 -2.493530 0.135890 2.629027 Rho 0.4361414E+07 3,-3 13 3 -3 0.940663 -1.053022 0.909506 Rho 0.3190408E+03 3,-3 14 3 -3 -1.073707 -1.039129 -1.048922 Rho 0.3191028E+03 3,-3 15 3 -3 0.955142 0.914848 -1.014722 Rho 0.3190245E+03 3,-3 16 3 -3 -0.974009 0.942825 0.974368 Rho 0.3190006E+03 3,-3 17 3 -3 -3.006760 -1.120614 1.170908 Rho 0.3189545E+03 3,-3 18 3 -3 3.041930 -1.153189 -1.145108 Rho 0.3189616E+03 3,-3 19 3 -3 -3.012321 1.128849 -1.080854 Rho 0.3190361E+03 3,-3 20 3 -3 2.996712 1.190147 1.205825 Rho 0.3189059E+03 3,-3 21 3 -3 1.351825 -1.154243 -3.261336 Rho 0.3194792E+03 3,-3 22 3 -3 1.100161 1.163359 2.993101 Rho 0.3189372E+03 3,-3 23 3 -3 -1.134633 1.134445 -3.012705 Rho 0.3188916E+03 3,-3 24 3 -3 -1.162295 -1.136341 3.043477 Rho 0.3189423E+03 3,-3 25 3 -3 -1.146502 2.986207 -1.121362 Rho 0.3188591E+03 3,-3 26 3 -3 -1.193728 -3.001763 1.212033 Rho 0.3190422E+03 3,-3 27 3 -3 1.140676 3.040566 1.138530 Rho 0.3188914E+03 3,-3 28 3 -3 1.236516 -3.254785 -1.076335 Rho 0.3193878E+03 3,-3 29 3 -3 3.405351 -1.472450 1.592703 Rho 0.3191585E+03 3,-3 30 3 -3 -3.490705 -1.573570 -1.560642 Rho 0.3190699E+03 3,-3 31 3 -3 3.457695 1.565114 -1.462658 Rho 0.3190622E+03 3,-3 32 3 -3 -3.431356 1.494329 1.576522 Rho 0.3189409E+03 3,-3 33 3 -3 1.444134 -1.476488 3.459859 Rho 0.3190700E+03 3,-3 34 3 -3 1.542489 1.569697 -3.412339 Rho 0.3189840E+03 3,-3 35 3 -3 -1.515844 1.540233 3.456721 Rho 0.3189556E+03 3,-3 36 3 -3 -1.841035 -1.454125 -3.790135 Rho 0.3194273E+03 3,-3 37 3 -3 -1.631711 -3.684758 -1.249188 Rho 0.3188012E+03 3,-3 38 3 -3 -1.526588 3.381501 1.526445 Rho 0.3189533E+03 3,-3 39 3 -3 1.554606 -3.428057 1.610944 Rho 0.3190863E+03 3,-3 40 3 -3 1.500606 3.414576 -1.466789 Rho 0.3189363E+03 3,-3 41 3 -3 -0.232071 -3.776552 3.760938 Rho 0.3194309E+03 3,-3 42 3 -3 3.869430 -0.146971 -3.759349 Rho 0.3193822E+03 3,-3 43 3 -3 -0.209759 3.751375 -3.695296 Rho 0.3193064E+03 3,-3 44 3 -3 0.241535 3.787158 3.722027 Rho 0.3192814E+03 3,-3 45 3 -3 3.820126 -3.733799 -0.168202 Rho 0.3193890E+03 3,-3 46 3 -3 3.782679 3.756724 0.240226 Rho 0.3192859E+03 3,-3 47 3 -3 -3.791761 3.694385 -0.209549 Rho 0.3192697E+03 3,-3 48 3 -3 -3.947069 -3.616178 0.287395 Rho 0.3194476E+03 3,-3 49 3 -3 -3.857008 0.372020 -3.641407 Rho 0.3193901E+03 3,-3 50 3 -3 -3.712836 -0.202649 3.827647 Rho 0.3192977E+03 3,-3 51 3 -3 3.699607 0.205961 3.827674 Rho 0.3194196E+03 3,-3 52 3 -3 -0.672129 -3.424709 -1.245355 Rho 0.4452097E+00 3,-3 53 3 +1 0.335340 -1.930575 -0.737766 Rho 0.5996916E-02 |GRAD(Rho)| 0.4923578E-17 GRAD(Rho)x 0.4082310E-17 GRAD(Rho)y -0.2714468E-17 GRAD(Rho)z 0.4561045E-18 Laplacian 0.2327616E-01 (-1/4)Del**2(Rho)) -0.5819040E-02 Diamond 0.5832143E-03 Metallicity 0.5860236E+00 Ellipticity -0.2138246E+01 Gb(Abramov) 0.4447709E-02 Vb(Abramov) -0.3076378E-02 Hb(Abramov) 0.1371331E-02 Ex_ueg -0.8046784E-03 Ec_ueg -0.1900632E-03 Delta_ex -0.1119028E-02 Delta_ec 0.5898825E-03 Delta_et -0.3439414E-02 Pxc 0.4233740E+01 Qxc -0.1897035E+01 3,+1 54 3 +1 -2.181180 1.205086 1.248999 Rho 0.2814204E-01 |GRAD(Rho)| 0.5821864E-14 GRAD(Rho)x -0.5389214E-14 GRAD(Rho)y 0.1533987E-14 GRAD(Rho)z 0.1580303E-14 Laplacian 0.1118172E+00 (-1/4)Del**2(Rho)) -0.2795431E-01 Diamond 0.1789987E-01 Metallicity 0.1604589E+01 Ellipticity -0.5690614E+01 Gb(Abramov) 0.2611206E-01 Vb(Abramov) -0.2426982E-01 Hb(Abramov) 0.1842241E-02 Ex_ueg -0.6322068E-02 Ec_ueg -0.1248176E-02 Delta_ex -0.7242277E-02 Delta_ec 0.2010954E-02 Delta_et -0.1825117E-01 Pxc 0.5065046E+01 Qxc -0.3601415E+01 3,+1 55 3 -1 -0.513931 1.724509 1.704087 Rho 0.4475694E-01 |GRAD(Rho)| 0.4293594E-16 GRAD(Rho)x 0.1665733E-16 GRAD(Rho)y 0.3564611E-16 GRAD(Rho)z 0.1718672E-16 Laplacian 0.1786883E+00 (-1/4)Del**2(Rho)) -0.4467208E-01 Diamond 0.7700919E-01 Metallicity 0.2175793E+01 Ellipticity 0.3646412E-01 Gb(Abramov) 0.4598092E-01 Vb(Abramov) -0.4728977E-01 Hb(Abramov) -0.1308843E-02 Ex_ueg -0.1173633E-01 Ec_ueg -0.2127175E-02 Delta_ex -0.1425991E-01 Delta_ec 0.5247453E-02 Delta_et -0.5372667E-01 Pxc 0.5517331E+01 Qxc -0.2717491E+01 3,-1 56 3 -1 -1.751207 -0.614548 -1.848444 Rho 0.4979561E-01 |GRAD(Rho)| 0.2267802E-14 GRAD(Rho)x -0.1316732E-14 GRAD(Rho)y 0.5020017E-15 GRAD(Rho)z -0.1776833E-14 Laplacian 0.2028570E+00 (-1/4)Del**2(Rho)) -0.5071426E-01 Diamond 0.1064150E+00 Metallicity 0.2289505E+01 Ellipticity 0.9615595E-02 Gb(Abramov) 0.5316126E-01 Vb(Abramov) -0.5560827E-01 Hb(Abramov) -0.2447005E-02 Ex_ueg -0.1353027E-01 Ec_ueg -0.2403579E-02 Delta_ex -0.1686040E-01 Delta_ec 0.6365791E-02 Delta_et -0.6714452E-01 Pxc 0.5629218E+01 Qxc -0.2648594E+01 3,-1 57 3 +1 -1.688900 -0.551464 0.528299 Rho 0.9374936E-02 |GRAD(Rho)| 0.6083280E-17 GRAD(Rho)x 0.5058044E-17 GRAD(Rho)y 0.3117025E-17 GRAD(Rho)z 0.1306383E-17 Laplacian 0.3592387E-01 (-1/4)Del**2(Rho)) -0.8980967E-02 Diamond 0.1111865E-02 Metallicity 0.7995469E+00 Ellipticity -0.1542886E+01 Gb(Abramov) 0.7184095E-02 Vb(Abramov) -0.5387224E-02 Hb(Abramov) 0.1796872E-02 Ex_ueg -0.1459966E-02 Ec_ueg -0.3397849E-03 Delta_ex -0.1689757E-02 Delta_ec 0.5273489E-03 Delta_et -0.3667778E-02 Pxc 0.4296737E+01 Qxc -0.3204249E+01 3,+1 58 3 +3 -2.313647 -0.037687 0.002429 Rho 0.5198755E-02 |GRAD(Rho)| 0.8932691E-17 GRAD(Rho)x -0.7512132E-17 GRAD(Rho)y -0.4713936E-17 GRAD(Rho)z 0.1067544E-17 Laplacian 0.2130029E-01 (-1/4)Del**2(Rho)) -0.5325071E-02 Diamond 0.2130165E-03 Metallicity 0.5047310E+00 Ellipticity -0.4664307E+00 Gb(Abramov) 0.3998002E-02 Vb(Abramov) -0.2670933E-02 Hb(Abramov) 0.1327069E-02 Ex_ueg -0.6651468E-03 Ec_ueg -0.1554760E-03 Delta_ex -0.7933885E-03 Delta_ec 0.1821369E-03 Delta_et -0.1197451E-02 Pxc 0.4278131E+01 Qxc -0.4356001E+01 3,+3 59 3 -1 -1.845578 -1.729493 -0.564946 Rho 0.4797823E-01 |GRAD(Rho)| 0.9968589E-16 GRAD(Rho)x 0.9620685E-16 GRAD(Rho)y 0.2013609E-16 GRAD(Rho)z -0.1661497E-16 Laplacian 0.1954021E+00 (-1/4)Del**2(Rho)) -0.4885053E-01 Diamond 0.9573038E-01 Metallicity 0.2234040E+01 Ellipticity 0.2028449E-01 Gb(Abramov) 0.5075603E-01 Vb(Abramov) -0.5266152E-01 Hb(Abramov) -0.1905498E-02 Ex_ueg -0.1287589E-01 Ec_ueg -0.2303426E-02 Delta_ex -0.1601275E-01 Delta_ec 0.5993178E-02 Delta_et -0.6255954E-01 Pxc 0.5589887E+01 Qxc -0.2671829E+01 3,-1 60 3 -1 -3.361496 -3.093553 0.098357 Rho 0.2297704E+00 |GRAD(Rho)| 0.1299413E-15 GRAD(Rho)x 0.7280418E-16 GRAD(Rho)y 0.2238877E-16 GRAD(Rho)z -0.1052760E-15 Laplacian 0.8496500E+00 (-1/4)Del**2(Rho)) -0.2124125E+00 Diamond 0.2849497E+01 Metallicity 0.6990850E+01 Ellipticity 0.7696492E-03 Gb(Abramov) 0.3890990E+00 Vb(Abramov) -0.5657854E+00 Hb(Abramov) -0.1766865E+00 Ex_ueg -0.1039387E+00 Ec_ueg -0.1373484E-01 Delta_ex -0.1014852E+00 Delta_ec 0.1899068E-01 Delta_et -0.2625134E+00 Pxc 0.7567521E+01 Qxc -0.5343951E+01 3,-1 61 3 +3 -1.129753 -1.131710 1.149420 Rho 0.5251219E-02 |GRAD(Rho)| 0.1006326E-11 GRAD(Rho)x -0.1125744E-14 GRAD(Rho)y -0.1488507E-14 GRAD(Rho)z -0.1006324E-11 Laplacian 0.2044818E-01 (-1/4)Del**2(Rho)) -0.5112046E-02 Diamond 0.1518761E-03 Metallicity 0.5346366E+00 Ellipticity -0.1861305E+00 Gb(Abramov) 0.3863545E-02 Vb(Abramov) -0.2615044E-02 Hb(Abramov) 0.1248501E-02 Ex_ueg -0.6741118E-03 Ec_ueg -0.1577398E-03 Delta_ex -0.7154330E-03 Delta_ec 0.8876493E-04 Delta_et -0.7123729E-03 Pxc 0.4273569E+01 Qxc -0.8059862E+01 3,+3 62 3 +1 0.524662 1.664952 0.474716 Rho 0.7582974E-02 |GRAD(Rho)| 0.1060077E-12 GRAD(Rho)x -0.1129695E-13 GRAD(Rho)y -0.7308441E-13 GRAD(Rho)z -0.7595187E-13 Laplacian 0.2981940E-01 (-1/4)Del**2(Rho)) -0.7454849E-02 Diamond 0.6729789E-03 Metallicity 0.6763636E+00 Ellipticity -0.1389645E+01 Gb(Abramov) 0.5810264E-02 Vb(Abramov) -0.4165679E-02 Hb(Abramov) 0.1644585E-02 Ex_ueg -0.1100283E-02 Ec_ueg -0.2597079E-03 Delta_ex -0.1320140E-02 Delta_ec 0.4202301E-03 Delta_et -0.2779900E-02 Pxc 0.4236618E+01 Qxc -0.3141470E+01 3,+1 63 3 -1 -3.093542 -1.996717 -0.883917 Rho 0.1540560E+00 |GRAD(Rho)| 0.2304556E-15 GRAD(Rho)x -0.6509279E-16 GRAD(Rho)y 0.1299687E-16 GRAD(Rho)z -0.2206894E-15 Laplacian 0.5906607E+00 (-1/4)Del**2(Rho)) -0.1476652E+00 Diamond 0.1229273E+01 Metallicity 0.5165031E+01 Ellipticity 0.8567497E-01 Gb(Abramov) 0.2255593E+00 Vb(Abramov) -0.3034535E+00 Hb(Abramov) -0.7789415E-01 Ex_ueg -0.6099441E-01 Ec_ueg -0.8703662E-02 Delta_ex -0.6378532E-01 Delta_ec 0.1477240E-01 Delta_et -0.1970940E+00 Pxc 0.7007901E+01 Qxc -0.4317872E+01 3,-1 64 3 +1 -0.643406 -1.697053 0.493994 Rho 0.8913641E-02 |GRAD(Rho)| 0.4955976E-14 GRAD(Rho)x -0.3475360E-14 GRAD(Rho)y -0.3081334E-14 GRAD(Rho)z -0.1728859E-14 Laplacian 0.3365968E-01 (-1/4)Del**2(Rho)) -0.8414920E-02 Diamond 0.9777799E-03 Metallicity 0.7845038E+00 Ellipticity -0.1544963E+01 Gb(Abramov) 0.6710203E-02 Vb(Abramov) -0.5005486E-02 Hb(Abramov) 0.1704717E-02 Ex_ueg -0.1364977E-02 Ec_ueg -0.3190350E-03 Delta_ex -0.1565450E-02 Delta_ec 0.4981321E-03 Delta_et -0.3416509E-02 Pxc 0.4278454E+01 Qxc -0.3142640E+01 3,+1 65 3 -1 -2.998442 -0.930433 -2.102747 Rho 0.1056724E+00 |GRAD(Rho)| 0.9006556E-16 GRAD(Rho)x 0.6339533E-16 GRAD(Rho)y -0.2409301E-16 GRAD(Rho)z 0.5926520E-16 Laplacian 0.3984751E+00 (-1/4)Del**2(Rho)) -0.9961877E-01 Diamond 0.5352168E+00 Metallicity 0.4084587E+01 Ellipticity 0.2858436E-01 Gb(Abramov) 0.1342294E+00 Vb(Abramov) -0.1688401E+00 Hb(Abramov) -0.3461066E-01 Ex_ueg -0.3689781E-01 Ec_ueg -0.5669930E-02 Delta_ex -0.3942438E-01 Delta_ec 0.1113293E-01 Delta_et -0.1400007E+00 Pxc 0.6507631E+01 Qxc -0.3541239E+01 3,-1 66 3 +1 -2.926610 -0.305751 -0.295561 Rho 0.5747677E-02 |GRAD(Rho)| 0.1450013E-16 GRAD(Rho)x -0.8487195E-17 GRAD(Rho)y -0.9295943E-17 GRAD(Rho)z -0.7197697E-17 Laplacian 0.2400994E-01 (-1/4)Del**2(Rho)) -0.6002485E-02 Diamond 0.4892839E-03 Metallicity 0.5293090E+00 Ellipticity -0.1450220E+01 Gb(Abramov) 0.4531185E-02 Vb(Abramov) -0.3059885E-02 Hb(Abramov) 0.1471300E-02 Ex_ueg -0.7603989E-03 Ec_ueg -0.1792289E-03 Delta_ex -0.1083165E-02 Delta_ec 0.4999139E-03 Delta_et -0.2932520E-02 Pxc 0.4242613E+01 Qxc -0.2166704E+01 3,+1 67 3 +1 1.658593 -0.567647 -0.577428 Rho 0.8463925E-02 |GRAD(Rho)| 0.2931043E-16 GRAD(Rho)x 0.2550574E-16 GRAD(Rho)y -0.1320421E-16 GRAD(Rho)z 0.5848729E-17 Laplacian 0.3337906E-01 (-1/4)Del**2(Rho)) -0.8344766E-02 Diamond 0.8772608E-03 Metallicity 0.7257027E+00 Ellipticity -0.1430940E+01 Gb(Abramov) 0.6572480E-02 Vb(Abramov) -0.4800195E-02 Hb(Abramov) 0.1772286E-02 Ex_ueg -0.1273936E-02 Ec_ueg -0.2988959E-03 Delta_ex -0.1520218E-02 Delta_ec 0.4723267E-03 Delta_et -0.3212967E-02 Pxc 0.4262138E+01 Qxc -0.3218574E+01 3,+1 68 3 -1 -3.239851 3.125967 -0.070729 Rho 0.2365784E+00 |GRAD(Rho)| 0.9920420E-14 GRAD(Rho)x -0.8628081E-15 GRAD(Rho)y 0.2418638E-14 GRAD(Rho)z 0.9582301E-14 Laplacian 0.8722860E+00 (-1/4)Del**2(Rho)) -0.2180715E+00 Diamond 0.3021036E+01 Metallicity 0.7149014E+01 Ellipticity 0.9209621E-02 Gb(Abramov) 0.4052137E+00 Vb(Abramov) -0.5923559E+00 Hb(Abramov) -0.1871422E+00 Ex_ueg -0.1080650E+00 Ec_ueg -0.1420291E-01 Delta_ex -0.1049353E+00 Delta_ec 0.1924362E-01 Delta_et -0.2659525E+00 Pxc 0.7608655E+01 Qxc -0.5452990E+01 3,-1 69 3 -1 -2.929958 0.059351 0.104173 Rho 0.6254702E-02 |GRAD(Rho)| 0.6851454E-17 GRAD(Rho)x 0.3824642E-19 GRAD(Rho)y 0.5581079E-17 GRAD(Rho)z -0.3973980E-17 Laplacian 0.2518904E-01 (-1/4)Del**2(Rho)) -0.6297259E-02 Diamond 0.9077120E-03 Metallicity 0.5808705E+00 Ellipticity 0.1857833E+01 Gb(Abramov) 0.4807821E-02 Vb(Abramov) -0.3318384E-02 Hb(Abramov) 0.1489438E-02 Ex_ueg -0.8511261E-03 Ec_ueg -0.2013010E-03 Delta_ex -0.1387036E-02 Delta_ec 0.9331996E-03 Delta_et -0.5364867E-02 Pxc 0.4228126E+01 Qxc -0.1486323E+01 3,-1 70 3 +1 -2.921327 0.182543 0.236892 Rho 0.6226647E-02 |GRAD(Rho)| 0.1318110E-16 GRAD(Rho)x 0.1090690E-18 GRAD(Rho)y 0.1314170E-16 GRAD(Rho)z -0.1012504E-17 Laplacian 0.2597620E-01 (-1/4)Del**2(Rho)) -0.6494050E-02 Diamond 0.7603046E-03 Metallicity 0.5590637E+00 Ellipticity -0.2836681E+01 Gb(Abramov) 0.4934464E-02 Vb(Abramov) -0.3374879E-02 Hb(Abramov) 0.1559585E-02 Ex_ueg -0.8460396E-03 Ec_ueg -0.2000764E-03 Delta_ex -0.1311262E-02 Delta_ec 0.7518441E-03 Delta_et -0.4386504E-02 Pxc 0.4228582E+01 Qxc -0.1744061E+01 3,+1 71 3 -1 -2.749821 -0.529477 1.852549 Rho 0.1231578E+00 |GRAD(Rho)| 0.2291987E-14 GRAD(Rho)x 0.6240973E-15 GRAD(Rho)y 0.1578151E-14 GRAD(Rho)z 0.1540502E-14 Laplacian 0.5110285E+00 (-1/4)Del**2(Rho)) -0.1277571E+00 Diamond 0.8218502E+00 Metallicity 0.4110907E+01 Ellipticity 0.1356996E-01 Gb(Abramov) 0.1727044E+00 Vb(Abramov) -0.2176516E+00 Hb(Abramov) -0.4494725E-01 Ex_ueg -0.4525509E-01 Ec_ueg -0.6748082E-02 Delta_ex -0.5237736E-01 Delta_ec 0.1370720E-01 Delta_et -0.1771569E+00 Pxc 0.6706364E+01 Qxc -0.3821156E+01 3,-1 72 3 -1 -1.701897 0.528106 1.763021 Rho 0.4809872E-01 |GRAD(Rho)| 0.3982897E-17 GRAD(Rho)x -0.1978669E-17 GRAD(Rho)y -0.1217186E-17 GRAD(Rho)z 0.3235242E-17 Laplacian 0.1923997E+00 (-1/4)Del**2(Rho)) -0.4809993E-01 Diamond 0.9154475E-01 Metallicity 0.2278406E+01 Ellipticity 0.1374961E-01 Gb(Abramov) 0.5033182E-01 Vb(Abramov) -0.5256371E-01 Hb(Abramov) -0.2231888E-02 Ex_ueg -0.1291902E-01 Ec_ueg -0.2310051E-02 Delta_ex -0.1563876E-01 Delta_ec 0.5654925E-02 Delta_et -0.5900766E-01 Pxc 0.5592529E+01 Qxc -0.2765512E+01 3,-1 73 3 -1 -3.222618 0.091788 -3.215464 Rho 0.2219747E+00 |GRAD(Rho)| 0.3561723E-15 GRAD(Rho)x -0.9215718E-16 GRAD(Rho)y 0.1768334E-15 GRAD(Rho)z -0.2951198E-15 Laplacian 0.8180663E+00 (-1/4)Del**2(Rho)) -0.2045166E+00 Diamond 0.2637366E+01 Metallicity 0.6854839E+01 Ellipticity 0.1947081E-01 Gb(Abramov) 0.3699991E+00 Vb(Abramov) -0.5354816E+00 Hb(Abramov) -0.1654825E+00 Ex_ueg -0.9926355E-01 Ec_ueg -0.1320199E-01 Delta_ex -0.9687360E-01 Delta_ec 0.1852452E-01 Delta_et -0.2558597E+00 Pxc 0.7518835E+01 Qxc -0.5229479E+01 3,-1 74 3 -1 -3.152566 -0.046340 3.276586 Rho 0.2401929E+00 |GRAD(Rho)| 0.2334630E-13 GRAD(Rho)x -0.2026352E-13 GRAD(Rho)y 0.1153063E-13 GRAD(Rho)z 0.1218210E-14 Laplacian 0.8847625E+00 (-1/4)Del**2(Rho)) -0.2211906E+00 Diamond 0.3122908E+01 Metallicity 0.7228585E+01 Ellipticity 0.3103433E-02 Gb(Abramov) 0.4139429E+00 Vb(Abramov) -0.6066953E+00 Hb(Abramov) -0.1927523E+00 Ex_ueg -0.1102720E+00 Ec_ueg -0.1445245E-01 Delta_ex -0.1068704E+00 Delta_ec 0.1945248E-01 Delta_et -0.2690690E+00 Pxc 0.7629987E+01 Qxc -0.5493923E+01 3,-1 75 3 +1 -1.689729 0.485331 -0.541423 Rho 0.9676437E-02 |GRAD(Rho)| 0.1032719E-13 GRAD(Rho)x 0.5884533E-14 GRAD(Rho)y -0.7634945E-14 GRAD(Rho)z 0.3705489E-14 Laplacian 0.3669470E-01 (-1/4)Del**2(Rho)) -0.9173675E-02 Diamond 0.1185829E-02 Metallicity 0.8251552E+00 Ellipticity -0.1575222E+01 Gb(Abramov) 0.7377401E-02 Vb(Abramov) -0.5581127E-02 Hb(Abramov) 0.1796274E-02 Ex_ueg -0.1522903E-02 Ec_ueg -0.3533966E-03 Delta_ex -0.1739926E-02 Delta_ec 0.5386611E-03 Delta_et -0.3777206E-02 Pxc 0.4309332E+01 Qxc -0.3230095E+01 3,+1 76 3 -1 -2.750990 0.478976 -1.862370 Rho 0.7012155E-01 |GRAD(Rho)| 0.1694608E-15 GRAD(Rho)x 0.2962371E-16 GRAD(Rho)y -0.6110580E-16 GRAD(Rho)z -0.1552594E-15 Laplacian 0.2976709E+00 (-1/4)Del**2(Rho)) -0.7441772E-01 Diamond 0.2410271E+00 Metallicity 0.2760341E+01 Ellipticity 0.7268007E-02 Gb(Abramov) 0.8384819E-01 Vb(Abramov) -0.9327866E-01 Hb(Abramov) -0.9430469E-02 Ex_ueg -0.2135602E-01 Ec_ueg -0.3554110E-02 Delta_ex -0.2676380E-01 Delta_ec 0.8946404E-02 Delta_et -0.1028487E+00 Pxc 0.6008826E+01 Qxc -0.2991571E+01 3,-1 77 3 -1 0.083834 -2.160591 -0.996256 Rho 0.6247892E-02 |GRAD(Rho)| 0.1249336E-16 GRAD(Rho)x -0.1222870E-16 GRAD(Rho)y 0.2089394E-17 GRAD(Rho)z 0.1475614E-17 Laplacian 0.2397055E-01 (-1/4)Del**2(Rho)) -0.5992637E-02 Diamond 0.8786124E-03 Metallicity 0.6092905E+00 Ellipticity 0.2155479E+01 Gb(Abramov) 0.4603634E-02 Vb(Abramov) -0.3214631E-02 Hb(Abramov) 0.1389003E-02 Ex_ueg -0.8498908E-03 Ec_ueg -0.2010037E-03 Delta_ex -0.1330759E-02 Delta_ec 0.9078571E-03 Delta_et -0.5210857E-02 Pxc 0.4228233E+01 Qxc -0.1465825E+01 3,-1 78 3 -1 -2.975233 0.855905 2.056186 Rho 0.1378857E+00 |GRAD(Rho)| 0.8302711E-16 GRAD(Rho)x 0.3481644E-16 GRAD(Rho)y 0.2035590E-16 GRAD(Rho)z -0.7257378E-16 Laplacian 0.5452789E+00 (-1/4)Del**2(Rho)) -0.1363197E+00 Diamond 0.9969162E+00 Metallicity 0.4650789E+01 Ellipticity 0.4318157E-01 Gb(Abramov) 0.1965455E+00 Vb(Abramov) -0.2567713E+00 Hb(Abramov) -0.6022579E-01 Ex_ueg -0.5261110E-01 Ec_ueg -0.7672594E-02 Delta_ex -0.5734491E-01 Delta_ec 0.1408843E-01 Delta_et -0.1851778E+00 Pxc 0.6857016E+01 Qxc -0.4070355E+01 3,-1 79 3 -1 0.506088 -1.802385 1.677474 Rho 0.4496350E-01 |GRAD(Rho)| 0.8949961E-13 GRAD(Rho)x 0.6473013E-13 GRAD(Rho)y 0.3944951E-13 GRAD(Rho)z 0.4758074E-13 Laplacian 0.1858545E+00 (-1/4)Del**2(Rho)) -0.4646362E-01 Diamond 0.8331130E-01 Metallicity 0.2108014E+01 Ellipticity 0.1473878E-01 Gb(Abramov) 0.4730007E-01 Vb(Abramov) -0.4813653E-01 Hb(Abramov) -0.8364573E-03 Ex_ueg -0.1180860E-01 Ec_ueg -0.2138426E-02 Delta_ex -0.1498351E-01 Delta_ec 0.5698025E-02 Delta_et -0.5845943E-01 Pxc 0.5522099E+01 Qxc -0.2629597E+01 3,-1 80 3 -1 -2.803273 1.740368 -0.538695 Rho 0.1919046E+00 |GRAD(Rho)| 0.1468515E-15 GRAD(Rho)x -0.3515526E-16 GRAD(Rho)y -0.1288032E-15 GRAD(Rho)z -0.6114900E-16 Laplacian 0.7833412E+00 (-1/4)Del**2(Rho)) -0.1958353E+00 Diamond 0.2098750E+01 Metallicity 0.5616569E+01 Ellipticity 0.1819683E-01 Gb(Abramov) 0.3138773E+00 Vb(Abramov) -0.4319192E+00 Hb(Abramov) -0.1180420E+00 Ex_ueg -0.8175209E-01 Ec_ueg -0.1117810E-01 Delta_ex -0.8920980E-01 Delta_ec 0.1819793E-01 Delta_et -0.2478229E+00 Pxc 0.7313591E+01 Qxc -0.4902194E+01 3,-1 81 3 +1 -1.995888 1.980963 2.018748 Rho 0.1260143E-01 |GRAD(Rho)| 0.3819052E-15 GRAD(Rho)x -0.2300475E-15 GRAD(Rho)y 0.2161552E-15 GRAD(Rho)z 0.2149573E-15 Laplacian 0.5904422E-01 (-1/4)Del**2(Rho)) -0.1476105E-01 Diamond 0.1874088E-02 Metallicity 0.7964083E+00 Ellipticity -0.1069242E+01 Gb(Abramov) 0.1180001E-01 Vb(Abramov) -0.8838960E-02 Hb(Abramov) 0.2961047E-02 Ex_ueg -0.2165767E-02 Ec_ueg -0.4874040E-03 Delta_ex -0.2762434E-02 Delta_ec 0.4492982E-03 Delta_et -0.3646578E-02 Pxc 0.4443473E+01 Qxc -0.6148331E+01 3,+1 82 3 +3 -1.939837 1.925289 1.963211 Rho 0.1258970E-01 |GRAD(Rho)| 0.1542686E-14 GRAD(Rho)x -0.8342200E-15 GRAD(Rho)y 0.9150915E-15 GRAD(Rho)z 0.9200889E-15 Laplacian 0.5851668E-01 (-1/4)Del**2(Rho)) -0.1462917E-01 Diamond 0.1595856E-02 Metallicity 0.8023417E+00 Ellipticity -0.9126211E+00 Gb(Abramov) 0.1170905E-01 Vb(Abramov) -0.8788921E-02 Hb(Abramov) 0.2920125E-02 Ex_ueg -0.2163079E-02 Ec_ueg -0.4868598E-03 Delta_ex -0.2666802E-02 Delta_ec 0.3198899E-03 Delta_et -0.2755872E-02 Pxc 0.4442920E+01 Qxc -0.8336623E+01 3,+3 83 3 -1 -3.019158 1.937893 0.881416 Rho 0.1371823E+00 |GRAD(Rho)| 0.3591766E-13 GRAD(Rho)x 0.1149716E-13 GRAD(Rho)y 0.1946266E-13 GRAD(Rho)z -0.2791234E-13 Laplacian 0.5322985E+00 (-1/4)Del**2(Rho)) -0.1330746E+00 Diamond 0.9760987E+00 Metallicity 0.4723762E+01 Ellipticity 0.3300211E-01 Gb(Abramov) 0.1934852E+00 Vb(Abramov) -0.2538958E+00 Hb(Abramov) -0.6041060E-01 Ex_ueg -0.5225355E-01 Ec_ueg -0.7628115E-02 Delta_ex -0.5600985E-01 Delta_ec 0.1394795E-01 Delta_et -0.1835484E+00 Pxc 0.6850126E+01 Qxc -0.4015633E+01 3,-1 84 3 +1 -1.769815 -1.736489 1.783371 Rho 0.1203144E-01 |GRAD(Rho)| 0.2303023E-12 GRAD(Rho)x 0.1955397E-12 GRAD(Rho)y -0.8670794E-13 GRAD(Rho)z 0.8535296E-13 Laplacian 0.5958601E-01 (-1/4)Del**2(Rho)) -0.1489650E-01 Diamond 0.2372154E-02 Metallicity 0.7305756E+00 Ellipticity -0.1254777E+01 Gb(Abramov) 0.1174484E-01 Vb(Abramov) -0.8593175E-02 Hb(Abramov) 0.3151664E-02 Ex_ueg -0.2036145E-02 Ec_ueg -0.4610208E-03 Delta_ex -0.2924012E-02 Delta_ec 0.7610593E-03 Delta_et -0.5719820E-02 Pxc 0.4416602E+01 Qxc -0.3842028E+01 3,+1 85 3 -1 -2.143372 -0.884766 -3.293805 Rho 0.2220933E+00 |GRAD(Rho)| 0.3580568E-10 GRAD(Rho)x 0.1344166E-10 GRAD(Rho)y -0.2520076E-10 GRAD(Rho)z -0.2159376E-10 Laplacian 0.8492395E+00 (-1/4)Del**2(Rho)) -0.2123099E+00 Diamond 0.2706648E+01 Metallicity 0.6609095E+01 Ellipticity 0.1758693E-01 Gb(Abramov) 0.3754026E+00 Vb(Abramov) -0.5384953E+00 Hb(Abramov) -0.1630927E+00 Ex_ueg -0.9933423E-01 Ec_ueg -0.1321006E-01 Delta_ex -0.1003843E+00 Delta_ec 0.1887996E-01 Delta_et -0.2593903E+00 Pxc 0.7519588E+01 Qxc -0.5316977E+01 3,-1 86 3 +1 2.014949 -2.022722 2.055801 Rho 0.1168939E-01 |GRAD(Rho)| 0.5570415E-17 GRAD(Rho)x 0.2113089E-17 GRAD(Rho)y 0.4302222E-17 GRAD(Rho)z -0.2838180E-17 Laplacian 0.5415058E-01 (-1/4)Del**2(Rho)) -0.1353765E-01 Diamond 0.1722696E-02 Metallicity 0.7661783E+00 Ellipticity -0.1143412E+01 Gb(Abramov) 0.1075381E-01 Vb(Abramov) -0.7969965E-02 Hb(Abramov) 0.2783840E-02 Ex_ueg -0.1959330E-02 Ec_ueg -0.4452493E-03 Delta_ex -0.2532536E-02 Delta_ec 0.5049195E-03 Delta_et -0.3916033E-02 Pxc 0.4400524E+01 Qxc -0.5015722E+01 3,+1 87 3 +1 -2.256204 -1.137957 -1.452264 Rho 0.2837285E-01 |GRAD(Rho)| 0.9826451E-16 GRAD(Rho)x -0.9437207E-16 GRAD(Rho)y 0.9741590E-17 GRAD(Rho)z -0.2559154E-16 Laplacian 0.1156563E+00 (-1/4)Del**2(Rho)) -0.2891406E-01 Diamond 0.1807927E-01 Metallicity 0.1572591E+01 Ellipticity -0.3633304E+01 Gb(Abramov) 0.2685437E-01 Vb(Abramov) -0.2479468E-01 Hb(Abramov) 0.2059689E-02 Ex_ueg -0.6391298E-02 Ec_ueg -0.1259987E-02 Delta_ex -0.7448147E-02 Delta_ec 0.1974435E-02 Delta_et -0.1796914E-01 Pxc 0.5072513E+01 Qxc -0.3772292E+01 3,+1 88 3 +1 -1.753662 1.693675 -1.740233 Rho 0.1136192E-01 |GRAD(Rho)| 0.9007520E-17 GRAD(Rho)x 0.4953085E-18 GRAD(Rho)y -0.4180818E-17 GRAD(Rho)z -0.7963093E-17 Laplacian 0.5549187E-01 (-1/4)Del**2(Rho)) -0.1387297E-01 Diamond 0.2088043E-02 Metallicity 0.7130770E+00 Ellipticity -0.1280873E+01 Gb(Abramov) 0.1089739E-01 Vb(Abramov) -0.7921820E-02 Hb(Abramov) 0.2975574E-02 Ex_ueg -0.1886487E-02 Ec_ueg -0.4301935E-03 Delta_ex -0.2696473E-02 Delta_ec 0.7341234E-03 Delta_et -0.5420503E-02 Pxc 0.4385206E+01 Qxc -0.3673052E+01 3,+1 89 3 +1 0.037128 -3.067235 0.073920 Rho 0.4828435E-02 |GRAD(Rho)| 0.9655057E-17 GRAD(Rho)x -0.6043356E-17 GRAD(Rho)y -0.2498597E-18 GRAD(Rho)z 0.7525659E-17 Laplacian 0.1896479E-01 (-1/4)Del**2(Rho)) -0.4741199E-02 Diamond 0.4400429E-03 Metallicity 0.5011977E+00 Ellipticity -0.4380034E+01 Gb(Abramov) 0.3556845E-02 Vb(Abramov) -0.2372492E-02 Hb(Abramov) 0.1184353E-02 Ex_ueg -0.6027357E-03 Ec_ueg -0.1395372E-03 Delta_ex -0.9541649E-03 Delta_ec 0.6285523E-03 Delta_et -0.3365220E-02 Pxc 0.4319536E+01 Qxc -0.1518036E+01 3,+1 90 3 -1 -2.106286 -3.103949 -0.702226 Rho 0.1339281E+00 |GRAD(Rho)| 0.5683125E-13 GRAD(Rho)x -0.4387430E-13 GRAD(Rho)y 0.2339266E-13 GRAD(Rho)z 0.2752490E-13 Laplacian 0.4875037E+00 (-1/4)Del**2(Rho)) -0.1218759E+00 Diamond 0.8771561E+00 Metallicity 0.4955508E+01 Ellipticity 0.1273223E+00 Gb(Abramov) 0.1819101E+00 Vb(Abramov) -0.2419443E+00 Hb(Abramov) -0.6003421E-01 Ex_ueg -0.5060741E-01 Ec_ueg -0.7422762E-02 Delta_ex -0.5109916E-01 Delta_ec 0.1302633E-01 Delta_et -0.1711149E+00 Pxc 0.6817867E+01 Qxc -0.3922760E+01 3,-1 91 3 +1 -0.584644 0.480070 -1.687067 Rho 0.9281370E-02 |GRAD(Rho)| 0.4927631E-15 GRAD(Rho)x 0.2372639E-15 GRAD(Rho)y -0.2564219E-15 GRAD(Rho)z 0.3475185E-15 Laplacian 0.3595224E-01 (-1/4)Del**2(Rho)) -0.8988059E-02 Diamond 0.1094835E-02 Metallicity 0.7856710E+00 Ellipticity -0.1519561E+01 Gb(Abramov) 0.7168982E-02 Vb(Abramov) -0.5349905E-02 Hb(Abramov) 0.1819077E-02 Ex_ueg -0.1440570E-02 Ec_ueg -0.3355686E-03 Delta_ex -0.1685666E-02 Delta_ec 0.5257362E-03 Delta_et -0.3648631E-02 Pxc 0.4292923E+01 Qxc -0.3206297E+01 3,+1 92 3 -1 -1.962144 0.886104 3.053598 Rho 0.1591746E+00 |GRAD(Rho)| 0.8174170E-14 GRAD(Rho)x -0.2329463E-14 GRAD(Rho)y 0.7555453E-14 GRAD(Rho)z -0.2075041E-14 Laplacian 0.6225594E+00 (-1/4)Del**2(Rho)) -0.1556398E+00 Diamond 0.1354991E+01 Metallicity 0.5174742E+01 Ellipticity 0.5506604E-01 Gb(Abramov) 0.2379926E+00 Vb(Abramov) -0.3203453E+00 Hb(Abramov) -0.8235273E-01 Ex_ueg -0.6371135E-01 Ec_ueg -0.9033385E-02 Delta_ex -0.6784496E-01 Delta_ec 0.1556472E-01 Delta_et -0.2088565E+00 Pxc 0.7052877E+01 Qxc -0.4358894E+01 3,-1 93 3 +3 -1.143731 1.081873 -1.149032 Rho 0.5385713E-02 |GRAD(Rho)| 0.2244907E-14 GRAD(Rho)x 0.1316554E-14 GRAD(Rho)y -0.1419231E-14 GRAD(Rho)z -0.1136694E-14 Laplacian 0.2090788E-01 (-1/4)Del**2(Rho)) -0.5226970E-02 Diamond 0.1566164E-03 Metallicity 0.5453916E+00 Ellipticity -0.2378286E+00 Gb(Abramov) 0.3959771E-02 Vb(Abramov) -0.2692572E-02 Hb(Abramov) 0.1267199E-02 Ex_ueg -0.6972298E-03 Ec_ueg -0.1635492E-03 Delta_ex -0.7332024E-03 Delta_ec 0.8452015E-04 Delta_et -0.6993102E-03 Pxc 0.4263121E+01 Qxc -0.8674882E+01 3,+3 94 3 +1 2.193160 0.986851 -1.472096 Rho 0.2297613E-01 |GRAD(Rho)| 0.3538630E-16 GRAD(Rho)x -0.3518889E-16 GRAD(Rho)y -0.3723247E-17 GRAD(Rho)z -0.2648301E-18 Laplacian 0.8695748E-01 (-1/4)Del**2(Rho)) -0.2173937E-01 Diamond 0.8685991E-02 Metallicity 0.1471525E+01 Ellipticity -0.2196535E+01 Gb(Abramov) 0.1982458E-01 Vb(Abramov) -0.1790980E-01 Hb(Abramov) 0.1914787E-02 Ex_ueg -0.4824150E-02 Ec_ueg -0.9873652E-03 Delta_ex -0.5113048E-02 Delta_ec 0.1163178E-02 Delta_et -0.1014664E-01 Pxc 0.4885883E+01 Qxc -0.4395756E+01 3,+1 95 3 -1 -1.747307 1.667400 0.524698 Rho 0.4834395E-01 |GRAD(Rho)| 0.1258588E-15 GRAD(Rho)x -0.8199491E-16 GRAD(Rho)y 0.8449154E-16 GRAD(Rho)z -0.4447982E-16 Laplacian 0.1930853E+00 (-1/4)Del**2(Rho)) -0.4827133E-01 Diamond 0.9248995E-01 Metallicity 0.2289642E+01 Ellipticity 0.1832665E-01 Gb(Abramov) 0.5060156E-01 Vb(Abramov) -0.5293179E-01 Hb(Abramov) -0.2330233E-02 Ex_ueg -0.1300692E-01 Ec_ueg -0.2323540E-02 Delta_ex -0.1571377E-01 Delta_ec 0.5673369E-02 Delta_et -0.5927853E-01 Pxc 0.5597891E+01 Qxc -0.2769742E+01 3,-1 96 3 -1 -1.819500 2.725215 -0.551396 Rho 0.1339197E+00 |GRAD(Rho)| 0.1833737E-13 GRAD(Rho)x -0.1154580E-13 GRAD(Rho)y 0.1327467E-13 GRAD(Rho)z 0.5170777E-14 Laplacian 0.5545551E+00 (-1/4)Del**2(Rho)) -0.1386388E+00 Diamond 0.9859678E+00 Metallicity 0.4355879E+01 Ellipticity 0.1044514E-01 Gb(Abramov) 0.1930748E+00 Vb(Abramov) -0.2475108E+00 Hb(Abramov) -0.5443603E-01 Ex_ueg -0.5060315E-01 Ec_ueg -0.7422231E-02 Delta_ex -0.5799024E-01 Delta_ec 0.1457496E-01 Delta_et -0.1909930E+00 Pxc 0.6817782E+01 Qxc -0.3978757E+01 3,-1 97 3 -1 -2.015638 2.930533 0.850072 Rho 0.1207675E+00 |GRAD(Rho)| 0.4345953E-12 GRAD(Rho)x -0.2568869E-12 GRAD(Rho)y -0.1165722E-12 GRAD(Rho)z -0.3305951E-12 Laplacian 0.4807782E+00 (-1/4)Del**2(Rho)) -0.1201945E+00 Diamond 0.7486098E+00 Metallicity 0.4229137E+01 Ellipticity 0.2146777E-01 Gb(Abramov) 0.1648496E+00 Vb(Abramov) -0.2095046E+00 Hb(Abramov) -0.4465503E-01 Ex_ueg -0.4408780E-01 Ec_ueg -0.6599413E-02 Delta_ex -0.4895944E-01 Delta_ec 0.1279867E-01 Delta_et -0.1645955E+00 Pxc 0.6680564E+01 Qxc -0.3825355E+01 3,-1 98 3 -1 -1.779975 -0.546981 2.831050 Rho 0.1602677E+00 |GRAD(Rho)| 0.2777242E-15 GRAD(Rho)x -0.1830404E-15 GRAD(Rho)y 0.1993035E-15 GRAD(Rho)z -0.6249070E-16 Laplacian 0.6705715E+00 (-1/4)Del**2(Rho)) -0.1676429E+00 Diamond 0.1459075E+01 Metallicity 0.4859351E+01 Ellipticity 0.2695837E-01 Gb(Abramov) 0.2475345E+00 Vb(Abramov) -0.3274261E+00 Hb(Abramov) -0.7989163E-01 Ex_ueg -0.6429540E-01 Ec_ueg -0.9104004E-02 Delta_ex -0.7308765E-01 Delta_ec 0.1653320E-01 Delta_et -0.2215321E+00 Pxc 0.7062320E+01 Qxc -0.4420659E+01 3,-1 99 3 +1 -0.195722 2.935580 0.198053 Rho 0.5877142E-02 |GRAD(Rho)| 0.2341486E-16 GRAD(Rho)x -0.1466569E-16 GRAD(Rho)y 0.3276490E-17 GRAD(Rho)z 0.1795654E-16 Laplacian 0.2445036E-01 (-1/4)Del**2(Rho)) -0.6112589E-02 Diamond 0.6579220E-03 Metallicity 0.5394339E+00 Ellipticity -0.2461738E+01 Gb(Abramov) 0.4624616E-02 Vb(Abramov) -0.3136642E-02 Hb(Abramov) 0.1487973E-02 Ex_ueg -0.7833214E-03 Ec_ueg -0.1848529E-03 Delta_ex -0.1216663E-02 Delta_ec 0.7021334E-03 Delta_et -0.4029333E-02 Pxc 0.4237538E+01 Qxc -0.1732808E+01 3,+1 100 3 +1 -0.531324 -0.590737 1.659902 Rho 0.8333660E-02 |GRAD(Rho)| 0.9591730E-17 GRAD(Rho)x -0.5094812E-17 GRAD(Rho)y 0.7793224E-17 GRAD(Rho)z 0.2304307E-17 Laplacian 0.3259964E-01 (-1/4)Del**2(Rho)) -0.8149909E-02 Diamond 0.8355420E-03 Metallicity 0.7240913E+00 Ellipticity -0.1427715E+01 Gb(Abramov) 0.6416819E-02 Vb(Abramov) -0.4683729E-02 Hb(Abramov) 0.1733090E-02 Ex_ueg -0.1247861E-02 Ec_ueg -0.2930791E-03 Delta_ex -0.1477360E-02 Delta_ec 0.4585118E-03 Delta_et -0.3108813E-02 Pxc 0.4257760E+01 Qxc -0.3222076E+01 3,+1 101 3 -1 -1.774609 0.489898 -2.861345 Rho 0.1297505E+00 |GRAD(Rho)| 0.2130319E-15 GRAD(Rho)x 0.1014542E-15 GRAD(Rho)y 0.1856425E-15 GRAD(Rho)z -0.2502982E-16 Laplacian 0.5352966E+00 (-1/4)Del**2(Rho)) -0.1338242E+00 Diamond 0.9065844E+00 Metallicity 0.4280887E+01 Ellipticity 0.1454378E-01 Gb(Abramov) 0.1846971E+00 Vb(Abramov) -0.2355701E+00 Hb(Abramov) -0.5087297E-01 Ex_ueg -0.4851364E-01 Ec_ueg -0.7160150E-02 Delta_ex -0.5543436E-01 Delta_ec 0.1396715E-01 Delta_et -0.1817098E+00 Pxc 0.6775506E+01 Qxc -0.3968909E+01 3,-1 102 3 -1 -0.887225 -3.480885 -1.244867 Rho 0.3224397E+00 |GRAD(Rho)| 0.2534759E-15 GRAD(Rho)x 0.1921062E-15 GRAD(Rho)y -0.2743857E-16 GRAD(Rho)z -0.1630717E-15 Laplacian -0.1676951E+01 (-1/4)Del**2(Rho)) 0.4192377E+00 Diamond 0.5828359E+01 Metallicity -0.6230272E+01 Ellipticity 0.3812349E-02 Gb(Abramov) 0.1558357E+00 Vb(Abramov) -0.7309091E+00 Hb(Abramov) -0.5750734E+00 Ex_ueg -0.1632988E+00 Ec_ueg -0.2032458E-01 Delta_ex 0.1678030E+00 Delta_ec 0.5795595E-01 Delta_et -0.1382064E+01 Pxc 0.8034551E+01 Qxc 0.2895355E+01 3,-1 103 3 +1 -0.078815 -2.315499 -1.043085 Rho 0.6194557E-02 |GRAD(Rho)| 0.8058829E-14 GRAD(Rho)x -0.7890129E-14 GRAD(Rho)y -0.1636827E-14 GRAD(Rho)z 0.1067218E-15 Laplacian 0.2384872E-01 (-1/4)Del**2(Rho)) -0.5962179E-02 Diamond 0.6961545E-03 Metallicity 0.6037149E+00 Ellipticity -0.2987579E+01 Gb(Abramov) 0.4574695E-02 Vb(Abramov) -0.3187212E-02 Hb(Abramov) 0.1387484E-02 Ex_ueg -0.8402310E-03 Ec_ueg -0.1986762E-03 Delta_ex -0.1204661E-02 Delta_ec 0.6939574E-03 Delta_et -0.4041008E-02 Pxc 0.4229148E+01 Qxc -0.1735929E+01 3,+1 104 3 +1 -1.114084 1.331628 2.185365 Rho 0.2672965E-01 |GRAD(Rho)| 0.4020957E-15 GRAD(Rho)x -0.4819954E-16 GRAD(Rho)y 0.3872775E-15 GRAD(Rho)z 0.9681856E-16 Laplacian 0.1036477E+00 (-1/4)Del**2(Rho)) -0.2591192E-01 Diamond 0.1444480E-01 Metallicity 0.1588701E+01 Ellipticity -0.3594929E+01 Gb(Abramov) 0.2413567E-01 Vb(Abramov) -0.2235941E-01 Hb(Abramov) 0.1776258E-02 Ex_ueg -0.5902591E-02 Ec_ueg -0.1176187E-02 Delta_ex -0.6521150E-02 Delta_ec 0.1684466E-02 Delta_et -0.1512665E-01 Pxc 0.5018410E+01 Qxc -0.3871345E+01 3,+1 105 3 +1 -1.269912 2.139944 1.189051 Rho 0.2850595E-01 |GRAD(Rho)| 0.5120029E-16 GRAD(Rho)x -0.2185885E-16 GRAD(Rho)y 0.4386924E-16 GRAD(Rho)z 0.1480371E-16 Laplacian 0.1159684E+00 (-1/4)Del**2(Rho)) -0.2899210E-01 Diamond 0.1961466E-01 Metallicity 0.1580640E+01 Ellipticity -0.7864177E+01 Gb(Abramov) 0.2696574E-01 Vb(Abramov) -0.2493938E-01 Hb(Abramov) 0.2026356E-02 Ex_ueg -0.6431306E-02 Ec_ueg -0.1266803E-02 Delta_ex -0.7602501E-02 Delta_ec 0.2202661E-02 Delta_et -0.2003939E-01 Pxc 0.5076800E+01 Qxc -0.3451507E+01 3,+1 106 3 +1 -0.549910 1.614250 -0.541413 Rho 0.8919290E-02 |GRAD(Rho)| 0.1863927E-16 GRAD(Rho)x -0.2618506E-18 GRAD(Rho)y 0.1328234E-16 GRAD(Rho)z -0.1307415E-16 Laplacian 0.3475207E-01 (-1/4)Del**2(Rho)) -0.8688017E-02 Diamond 0.9486793E-03 Metallicity 0.7606467E+00 Ellipticity -0.1426966E+01 Gb(Abramov) 0.6893430E-02 Vb(Abramov) -0.5098843E-02 Hb(Abramov) 0.1794587E-02 Ex_ueg -0.1366130E-02 Ec_ueg -0.3192885E-03 Delta_ex -0.1590028E-02 Delta_ec 0.4670133E-03 Delta_et -0.3239711E-02 Pxc 0.4278670E+01 Qxc -0.3404674E+01 3,+1 107 3 -1 -0.833824 2.017630 2.989696 Rho 0.1176325E+00 |GRAD(Rho)| 0.2683542E-15 GRAD(Rho)x -0.1455677E-15 GRAD(Rho)y -0.1318322E-15 GRAD(Rho)z 0.1828778E-15 Laplacian 0.4650041E+00 (-1/4)Del**2(Rho)) -0.1162510E+00 Diamond 0.7044960E+00 Metallicity 0.4185065E+01 Ellipticity 0.2106228E-01 Gb(Abramov) 0.1585870E+00 Vb(Abramov) -0.2009230E+00 Hb(Abramov) -0.4233601E-01 Ex_ueg -0.4256850E-01 Ec_ueg -0.6405029E-02 Delta_ex -0.4709819E-01 Delta_ec 0.1252853E-01 Delta_et -0.1605020E+00 Pxc 0.6646106E+01 Qxc -0.3759274E+01 3,-1 108 3 +1 0.180799 2.950961 -0.168844 Rho 0.5872754E-02 |GRAD(Rho)| 0.8710690E-17 GRAD(Rho)x 0.5731725E-17 GRAD(Rho)y -0.2956945E-18 GRAD(Rho)z 0.6552559E-17 Laplacian 0.2436949E-01 (-1/4)Del**2(Rho)) -0.6092372E-02 Diamond 0.6536759E-03 Metallicity 0.5405507E+00 Ellipticity -0.2428092E+01 Gb(Abramov) 0.4610454E-02 Vb(Abramov) -0.3128536E-02 Hb(Abramov) 0.1481918E-02 Ex_ueg -0.7825417E-03 Ec_ueg -0.1846622E-03 Delta_ex -0.1211397E-02 Delta_ec 0.6979238E-03 Delta_et -0.4005108E-02 Pxc 0.4237693E+01 Qxc -0.1735715E+01 3,+1 109 3 +1 1.734687 1.774794 1.758648 Rho 0.1227621E-01 |GRAD(Rho)| 0.1768130E-16 GRAD(Rho)x -0.4154339E-17 GRAD(Rho)y 0.1696462E-16 GRAD(Rho)z -0.2751625E-17 Laplacian 0.6100229E-01 (-1/4)Del**2(Rho)) -0.1525057E-01 Diamond 0.2503291E-02 Metallicity 0.7379737E+00 Ellipticity -0.1269073E+01 Gb(Abramov) 0.1204280E-01 Vb(Abramov) -0.8835031E-02 Hb(Abramov) 0.3207770E-02 Ex_ueg -0.2091562E-02 Ec_ueg -0.4723348E-03 Delta_ex -0.3011391E-02 Delta_ec 0.7825079E-03 Delta_et -0.5907278E-02 Pxc 0.4428135E+01 Qxc -0.3848384E+01 3,+1 110 3 +3 0.056474 -0.085655 2.269140 Rho 0.4574236E-02 |GRAD(Rho)| 0.2149889E-14 GRAD(Rho)x -0.9840497E-15 GRAD(Rho)y 0.1105555E-14 GRAD(Rho)z -0.1559301E-14 Laplacian 0.1873378E-01 (-1/4)Del**2(Rho)) -0.4683445E-02 Diamond 0.1510071E-03 Metallicity 0.4636448E+00 Ellipticity -0.4393429E+00 Gb(Abramov) 0.3484206E-02 Vb(Abramov) -0.2284967E-02 Hb(Abramov) 0.1199239E-02 Ex_ueg -0.5608024E-03 Ec_ueg -0.1286367E-03 Delta_ex -0.6682785E-03 Delta_ec 0.1482070E-03 Delta_et -0.9638000E-03 Pxc 0.4359583E+01 Qxc -0.4509089E+01 3,+3 111 3 +3 -0.096899 -2.435996 -0.162744 Rho 0.3870176E-02 |GRAD(Rho)| 0.4171468E-17 GRAD(Rho)x -0.2398717E-17 GRAD(Rho)y 0.3361439E-17 GRAD(Rho)z -0.5899444E-18 Laplacian 0.1546458E-01 (-1/4)Del**2(Rho)) -0.3866145E-02 Diamond 0.1005325E-03 Metallicity 0.4251017E+00 Ellipticity -0.3627978E+00 Gb(Abramov) 0.2851348E-02 Vb(Abramov) -0.1836550E-02 Hb(Abramov) 0.1014798E-02 Ex_ueg -0.4487723E-03 Ec_ueg -0.9862065E-04 Delta_ex -0.5298453E-03 Delta_ec 0.1251115E-03 Delta_et -0.7783064E-03 Pxc 0.4550490E+01 Qxc -0.4234987E+01 3,+3 112 3 +1 0.570702 -1.648552 -1.697660 Rho 0.3193932E-02 |GRAD(Rho)| 0.1250185E-16 GRAD(Rho)x -0.1012651E-16 GRAD(Rho)y 0.2005091E-17 GRAD(Rho)z -0.7051934E-17 Laplacian 0.1216305E-01 (-1/4)Del**2(Rho)) -0.3040763E-02 Diamond 0.8738473E-04 Metallicity 0.3924460E+00 Ellipticity -0.1155729E+01 Gb(Abramov) 0.2226065E-02 Vb(Abramov) -0.1411366E-02 Hb(Abramov) 0.8146984E-03 Ex_ueg -0.3473915E-03 Ec_ueg -0.7003799E-04 Delta_ex -0.4414775E-03 Delta_ec 0.1780246E-03 Delta_et -0.9295936E-03 Pxc 0.4960044E+01 Qxc -0.2479868E+01 3,+1 113 3 -1 -0.241280 -1.275480 -3.477885 Rho 0.4357085E-02 |GRAD(Rho)| 0.2898728E-17 GRAD(Rho)x 0.2696120E-17 GRAD(Rho)y 0.1055824E-17 GRAD(Rho)z 0.1371184E-18 Laplacian 0.1713593E-01 (-1/4)Del**2(Rho)) -0.4283983E-02 Diamond 0.5313178E-03 Metallicity 0.4674109E+00 Ellipticity 0.1825594E+00 Gb(Abramov) 0.3189719E-02 Vb(Abramov) -0.2095455E-02 Hb(Abramov) 0.1094264E-02 Ex_ueg -0.5255893E-03 Ec_ueg -0.1193513E-03 Delta_ex -0.1052092E-02 Delta_ec 0.9363241E-03 Delta_et -0.4716385E-02 Pxc 0.4403715E+01 Qxc -0.1123641E+01 3,-1 114 3 +1 -0.319459 -1.054439 -2.758438 Rho 0.3181962E-02 |GRAD(Rho)| 0.3298751E-14 GRAD(Rho)x -0.3279978E-14 GRAD(Rho)y -0.3510878E-15 GRAD(Rho)z -0.1551454E-16 Laplacian 0.1283988E-01 (-1/4)Del**2(Rho)) -0.3209969E-02 Diamond 0.1198282E-03 Metallicity 0.3694402E+00 Ellipticity -0.1300538E+01 Gb(Abramov) 0.2337628E-02 Vb(Abramov) -0.1465287E-02 Hb(Abramov) 0.8723411E-03 Ex_ueg -0.3456568E-03 Ec_ueg -0.6953431E-04 Delta_ex -0.5132235E-03 Delta_ec 0.2728730E-03 Delta_et -0.1347565E-02 Pxc 0.4971025E+01 Qxc -0.1880815E+01 3,+1 115 3 +1 0.539127 0.432048 1.653100 Rho 0.7860776E-02 |GRAD(Rho)| 0.5427373E-14 GRAD(Rho)x -0.3032031E-14 GRAD(Rho)y 0.4489159E-14 GRAD(Rho)z 0.3325895E-15 Laplacian 0.3095628E-01 (-1/4)Del**2(Rho)) -0.7739071E-02 Diamond 0.7474936E-03 Metallicity 0.6917885E+00 Ellipticity -0.1420924E+01 Gb(Abramov) 0.6051680E-02 Vb(Abramov) -0.4364290E-02 Hb(Abramov) 0.1687390E-02 Ex_ueg -0.1154354E-02 Ec_ueg -0.2720275E-03 Delta_ex -0.1389892E-02 Delta_ec 0.4487669E-03 Delta_et -0.2986055E-02 Pxc 0.4243518E+01 Qxc -0.3097136E+01 3,+1 116 3 +3 0.032545 2.242844 -0.002404 Rho 0.4678125E-02 |GRAD(Rho)| 0.1452677E-14 GRAD(Rho)x -0.7502519E-15 GRAD(Rho)y -0.1033964E-14 GRAD(Rho)z 0.6916004E-15 Laplacian 0.1919388E-01 (-1/4)Del**2(Rho)) -0.4798471E-02 Diamond 0.1552991E-03 Metallicity 0.4697895E+00 Ellipticity -0.2766869E+00 Gb(Abramov) 0.3574693E-02 Vb(Abramov) -0.2350914E-02 Hb(Abramov) 0.1223778E-02 Ex_ueg -0.5778487E-03 Ec_ueg -0.1330876E-03 Delta_ex -0.6844407E-03 Delta_ec 0.1442126E-03 Delta_et -0.9550064E-03 Pxc 0.4341867E+01 Qxc -0.4746053E+01 3,+3 117 3 -1 -0.846052 2.987478 1.973197 Rho 0.1483136E+00 |GRAD(Rho)| 0.8169485E-14 GRAD(Rho)x -0.6296748E-14 GRAD(Rho)y 0.2243350E-14 GRAD(Rho)z -0.4696682E-14 Laplacian 0.5809442E+00 (-1/4)Del**2(Rho)) -0.1452361E+00 Diamond 0.1160361E+01 Metallicity 0.4929246E+01 Ellipticity 0.3936641E-01 Gb(Abramov) 0.2161414E+00 Vb(Abramov) -0.2870468E+00 Hb(Abramov) -0.7090535E-01 Ex_ueg -0.5798199E-01 Ec_ueg -0.8335649E-02 Delta_ex -0.6220437E-01 Delta_ec 0.1476245E-01 Delta_et -0.1961637E+00 Pxc 0.6955906E+01 Qxc -0.4213688E+01 3,-1 118 3 -1 0.555237 1.817795 2.748505 Rho 0.1564299E+00 |GRAD(Rho)| 0.2561996E-15 GRAD(Rho)x 0.5995638E-16 GRAD(Rho)y 0.2356784E-15 GRAD(Rho)z -0.8061721E-16 Laplacian 0.6491732E+00 (-1/4)Del**2(Rho)) -0.1622933E+00 Diamond 0.1376378E+01 Metallicity 0.4820796E+01 Ellipticity 0.1450225E-01 Gb(Abramov) 0.2385927E+00 Vb(Abramov) -0.3148920E+00 Hb(Abramov) -0.7629937E-01 Ex_ueg -0.6225075E-01 Ec_ueg -0.8856380E-02 Delta_ex -0.7037239E-01 Delta_ec 0.1617822E-01 Delta_et -0.2162957E+00 Pxc 0.7028916E+01 Qxc -0.4349823E+01 3,-1 119 3 +1 0.176562 -0.194687 2.980086 Rho 0.5639789E-02 |GRAD(Rho)| 0.2873809E-16 GRAD(Rho)x 0.1842599E-16 GRAD(Rho)y -0.2152464E-16 GRAD(Rho)z 0.4801132E-17 Laplacian 0.2348855E-01 (-1/4)Del**2(Rho)) -0.5872137E-02 Diamond 0.5598509E-03 Metallicity 0.5242379E+00 Ellipticity -0.1928366E+01 Gb(Abramov) 0.4427824E-02 Vb(Abramov) -0.2983511E-02 Hb(Abramov) 0.1444313E-02 Ex_ueg -0.7414278E-03 Ec_ueg -0.1745486E-03 Delta_ex -0.1128950E-02 Delta_ec 0.6207696E-03 Delta_et -0.3542610E-02 Pxc 0.4247687E+01 Qxc -0.1818629E+01 3,+1 120 3 +1 -0.276176 -0.543179 -3.157282 Rho 0.3159198E-02 |GRAD(Rho)| 0.1455912E-14 GRAD(Rho)x -0.5636031E-16 GRAD(Rho)y 0.1453156E-14 GRAD(Rho)z -0.6957103E-16 Laplacian 0.1271623E-01 (-1/4)Del**2(Rho)) -0.3179057E-02 Diamond 0.1343554E-03 Metallicity 0.3685952E+00 Ellipticity -0.1442037E+01 Gb(Abramov) 0.2314669E-02 Vb(Abramov) -0.1450281E-02 Hb(Abramov) 0.8643882E-03 Ex_ueg -0.3423636E-03 Ec_ueg -0.6857659E-04 Delta_ex -0.5363401E-03 Delta_ec 0.3216784E-03 Delta_et -0.1553652E-02 Pxc 0.4992426E+01 Qxc -0.1667318E+01 3,+1 121 3 -1 -0.506133 0.405185 0.429851 Rho 0.1741244E+00 |GRAD(Rho)| 0.4214486E-15 GRAD(Rho)x -0.2289835E-15 GRAD(Rho)y 0.2636780E-15 GRAD(Rho)z 0.2359224E-15 Laplacian 0.4484978E+00 (-1/4)Del**2(Rho)) -0.1121245E+00 Diamond 0.1108952E+01 Metallicity 0.8342298E+01 Ellipticity 0.3221952E-02 Gb(Abramov) 0.2306456E+00 Vb(Abramov) -0.3491667E+00 Hb(Abramov) -0.1185211E+00 Ex_ueg -0.7181216E-01 Ec_ueg -0.1000532E-01 Delta_ex -0.5015884E-01 Delta_ec 0.1127386E-01 Delta_et -0.1538234E+00 Pxc 0.7177400E+01 Qxc -0.4449125E+01 3,-1 122 3 -1 -0.592305 -2.798958 1.821091 Rho 0.1573046E+00 |GRAD(Rho)| 0.1463041E-14 GRAD(Rho)x 0.5294430E-15 GRAD(Rho)y 0.9057018E-15 GRAD(Rho)z 0.1019746E-14 Laplacian 0.6508400E+00 (-1/4)Del**2(Rho)) -0.1627100E+00 Diamond 0.1366967E+01 Metallicity 0.4853345E+01 Ellipticity 0.4092337E-01 Gb(Abramov) 0.2400880E+00 Vb(Abramov) -0.3174659E+00 Hb(Abramov) -0.7737797E-01 Ex_ueg -0.6271530E-01 Ec_ueg -0.8912740E-02 Delta_ex -0.7044286E-01 Delta_ec 0.1582606E-01 Delta_et -0.2108171E+00 Pxc 0.7036591E+01 Qxc -0.4451067E+01 3,-1 123 3 -1 0.869200 -3.028136 2.022709 Rho 0.1523691E+00 |GRAD(Rho)| 0.2960854E-13 GRAD(Rho)x -0.2236743E-13 GRAD(Rho)y 0.1207065E-13 GRAD(Rho)z 0.1518760E-13 Laplacian 0.5902224E+00 (-1/4)Del**2(Rho)) -0.1475556E+00 Diamond 0.1205604E+01 Metallicity 0.5074877E+01 Ellipticity 0.7974015E-01 Gb(Abramov) 0.2231748E+00 Vb(Abramov) -0.2987940E+00 Hb(Abramov) -0.7561922E-01 Ex_ueg -0.6010549E-01 Ec_ueg -0.8595341E-02 Delta_ex -0.6350037E-01 Delta_ec 0.1468696E-01 Delta_et -0.1953922E+00 Pxc 0.6992799E+01 Qxc -0.4323588E+01 3,-1 124 3 +3 0.823879 -1.432540 -1.476254 Rho 0.3102866E-02 |GRAD(Rho)| 0.4055217E-16 GRAD(Rho)x 0.2558412E-16 GRAD(Rho)y -0.1403410E-16 GRAD(Rho)z -0.2815982E-16 Laplacian 0.1205534E-01 (-1/4)Del**2(Rho)) -0.3013834E-02 Diamond 0.6298019E-04 Metallicity 0.3773163E+00 Ellipticity -0.7959895E+00 Gb(Abramov) 0.2198751E-02 Vb(Abramov) -0.1383668E-02 Hb(Abramov) 0.8150832E-03 Ex_ueg -0.3342482E-03 Ec_ueg -0.6620784E-04 Delta_ex -0.3990664E-03 Delta_ec 0.1127992E-03 Delta_et -0.6411816E-03 Pxc 0.5048469E+01 Qxc -0.3537848E+01 3,+3 125 3 -1 -0.546202 1.782844 -2.757663 Rho 0.1373817E+00 |GRAD(Rho)| 0.4738385E-15 GRAD(Rho)x -0.2477944E-15 GRAD(Rho)y -0.3874803E-15 GRAD(Rho)z -0.1139293E-15 Laplacian 0.5810529E+00 (-1/4)Del**2(Rho)) -0.1452632E+00 Diamond 0.1055270E+01 Metallicity 0.4337893E+01 Ellipticity 0.1311927E-01 Gb(Abramov) 0.2018649E+00 Vb(Abramov) -0.2584666E+00 Hb(Abramov) -0.5660166E-01 Ex_ueg -0.5235484E-01 Ec_ueg -0.7640721E-02 Delta_ex -0.6102602E-01 Delta_ec 0.1497835E-01 Delta_et -0.1966678E+00 Pxc 0.6852082E+01 Qxc -0.4074282E+01 3,-1 126 3 -1 -0.561278 -1.833505 2.776158 Rho 0.1095480E+00 |GRAD(Rho)| 0.1446225E-12 GRAD(Rho)x 0.8561940E-13 GRAD(Rho)y -0.1143627E-12 GRAD(Rho)z -0.2249796E-13 Laplacian 0.4521563E+00 (-1/4)Del**2(Rho)) -0.1130391E+00 Diamond 0.6242434E+00 Metallicity 0.3822362E+01 Ellipticity 0.7942433E-02 Gb(Abramov) 0.1473721E+00 Vb(Abramov) -0.1817051E+00 Hb(Abramov) -0.3433301E-01 Ex_ueg -0.3871305E-01 Ec_ueg -0.5906977E-02 Delta_ex -0.4496306E-01 Delta_ec 0.1226044E-01 Delta_et -0.1548675E+00 Pxc 0.6553785E+01 Qxc -0.3667327E+01 3,-1 127 3 -1 0.286470 -0.939967 -2.033347 Rho 0.4968341E-02 |GRAD(Rho)| 0.1086845E-16 GRAD(Rho)x -0.6978713E-17 GRAD(Rho)y -0.7526147E-18 GRAD(Rho)z 0.8297846E-17 Laplacian 0.1926980E-01 (-1/4)Del**2(Rho)) -0.4817451E-02 Diamond 0.5408801E-03 Metallicity 0.5173147E+00 Ellipticity 0.2872611E+01 Gb(Abramov) 0.3626990E-02 Vb(Abramov) -0.2436530E-02 Hb(Abramov) 0.1190461E-02 Ex_ueg -0.6261335E-03 Ec_ueg -0.1455506E-03 Delta_ex -0.1046173E-02 Delta_ec 0.7661761E-03 Delta_et -0.4088565E-02 Pxc 0.4301826E+01 Qxc -0.1365447E+01 3,-1 128 3 +1 1.665511 0.484124 0.530955 Rho 0.7244379E-02 |GRAD(Rho)| 0.7224615E-17 GRAD(Rho)x -0.5028858E-17 GRAD(Rho)y -0.5161750E-17 GRAD(Rho)z 0.5118445E-18 Laplacian 0.2819142E-01 (-1/4)Del**2(Rho)) -0.7047856E-02 Diamond 0.6204926E-03 Metallicity 0.6629765E+00 Ellipticity -0.1421357E+01 Gb(Abramov) 0.5477331E-02 Vb(Abramov) -0.3906806E-02 Hb(Abramov) 0.1570525E-02 Ex_ueg -0.1035269E-02 Ec_ueg -0.2447404E-03 Delta_ex -0.1246706E-02 Delta_ec 0.4201189E-03 Delta_et -0.2727000E-02 Pxc 0.4230070E+01 Qxc -0.2967508E+01 3,+1 129 3 -1 -0.055026 3.188460 -3.146633 Rho 0.2404750E+00 |GRAD(Rho)| 0.4589151E-15 GRAD(Rho)x -0.2380637E-15 GRAD(Rho)y 0.2732189E-15 GRAD(Rho)z -0.2815673E-15 Laplacian 0.8933196E+00 (-1/4)Del**2(Rho)) -0.2233299E+00 Diamond 0.3152531E+01 Metallicity 0.7173362E+01 Ellipticity 0.1626132E-02 Gb(Abramov) 0.4158910E+00 Vb(Abramov) -0.6084520E+00 Hb(Abramov) -0.1925611E+00 Ex_ueg -0.1104447E+00 Ec_ueg -0.1447195E-01 Delta_ex -0.1079104E+00 Delta_ec 0.1958600E-01 Delta_et -0.2707135E+00 Pxc 0.7631638E+01 Qxc -0.5509568E+01 3,-1 130 3 -1 -0.009075 2.943009 0.016485 Rho 0.5939477E-02 |GRAD(Rho)| 0.2503761E-17 GRAD(Rho)x 0.1589041E-17 GRAD(Rho)y -0.2149758E-18 GRAD(Rho)z 0.1922902E-17 Laplacian 0.2383241E-01 (-1/4)Del**2(Rho)) -0.5958103E-02 Diamond 0.8127049E-03 Metallicity 0.5632383E+00 Ellipticity 0.2264643E+01 Gb(Abramov) 0.4531374E-02 Vb(Abramov) -0.3104645E-02 Hb(Abramov) 0.1426729E-02 Ex_ueg -0.7944184E-03 Ec_ueg -0.1875637E-03 Delta_ex -0.1308211E-02 Delta_ec 0.8981776E-03 Delta_et -0.5077895E-02 Pxc 0.4235460E+01 Qxc -0.1456517E+01 3,-1 131 3 +3 1.094333 1.058746 1.054961 Rho 0.4449445E-02 |GRAD(Rho)| 0.1739723E-17 GRAD(Rho)x 0.5246889E-19 GRAD(Rho)y 0.1476488E-17 GRAD(Rho)z -0.9186205E-18 Laplacian 0.1746763E-01 (-1/4)Del**2(Rho)) -0.4366907E-02 Diamond 0.1132130E-03 Metallicity 0.4748491E+00 Ellipticity -0.2422048E+00 Gb(Abramov) 0.3256875E-02 Vb(Abramov) -0.2146843E-02 Hb(Abramov) 0.1110032E-02 Ex_ueg -0.5404964E-03 Ec_ueg -0.1232976E-03 Delta_ex -0.5943464E-03 Delta_ec 0.9481816E-04 Delta_et -0.6832984E-03 Pxc 0.4383672E+01 Qxc -0.6268276E+01 3,+3 132 3 -1 0.420499 0.394163 -0.527760 Rho 0.1784441E+00 |GRAD(Rho)| 0.1638122E-13 GRAD(Rho)x -0.1400269E-13 GRAD(Rho)y -0.8010953E-14 GRAD(Rho)z 0.2844947E-14 Laplacian 0.4663205E+00 (-1/4)Del**2(Rho)) -0.1165801E+00 Diamond 0.1189026E+01 Metallicity 0.8357931E+01 Ellipticity 0.8067234E-03 Gb(Abramov) 0.2401149E+00 Vb(Abramov) -0.3636496E+00 Hb(Abramov) -0.1235347E+00 Ex_ueg -0.7419725E-01 Ec_ueg -0.1028858E-01 Delta_ex -0.5248451E-01 Delta_ec 0.1167019E-01 Delta_et -0.1597543E+00 Pxc 0.7211614E+01 Qxc -0.4497313E+01 3,-1 133 3 -1 -0.002934 -3.374180 -1.174295 Rho 0.2475728E-01 |GRAD(Rho)| 0.6833407E-16 GRAD(Rho)x -0.6667690E-16 GRAD(Rho)y 0.4819900E-17 GRAD(Rho)z -0.1415997E-16 Laplacian 0.8310223E-01 (-1/4)Del**2(Rho)) -0.2077556E-01 Diamond 0.2563242E-01 Metallicity 0.1743835E+01 Ellipticity 0.1143326E-01 Gb(Abramov) 0.1988856E-01 Vb(Abramov) -0.1900157E-01 Hb(Abramov) 0.8869935E-03 Ex_ueg -0.5329123E-02 Ec_ueg -0.1076502E-02 Delta_ex -0.6795413E-02 Delta_ec 0.4338883E-02 Delta_et -0.3750946E-01 Pxc 0.4950409E+01 Qxc -0.1566167E+01 3,-1 134 3 -1 -0.077915 -3.236859 3.178800 Rho 0.2284583E+00 |GRAD(Rho)| 0.1828746E-15 GRAD(Rho)x -0.1033380E-15 GRAD(Rho)y -0.7892992E-16 GRAD(Rho)z -0.1285864E-15 Laplacian 0.8328142E+00 (-1/4)Del**2(Rho)) -0.2082035E+00 Diamond 0.2780730E+01 Metallicity 0.7064422E+01 Ellipticity 0.3463781E-02 Gb(Abramov) 0.3839420E+00 Vb(Abramov) -0.5596804E+00 Hb(Abramov) -0.1757384E+00 Ex_ueg -0.1031480E+00 Ec_ueg -0.1364492E-01 Delta_ex -0.9936548E-01 Delta_ec 0.1871512E-01 Delta_et -0.2589260E+00 Pxc 0.7559447E+01 Qxc -0.5309369E+01 3,-1 135 3 -1 -1.901631 -2.742034 0.578337 Rho 0.9756566E-01 |GRAD(Rho)| 0.1851047E-13 GRAD(Rho)x 0.1677356E-13 GRAD(Rho)y 0.7649914E-14 GRAD(Rho)z 0.1662556E-14 Laplacian 0.3947269E+00 (-1/4)Del**2(Rho)) -0.9868173E-01 Diamond 0.4729498E+00 Metallicity 0.3609758E+01 Ellipticity 0.1558896E-01 Gb(Abramov) 0.1251573E+00 Vb(Abramov) -0.1516330E+00 Hb(Abramov) -0.2647562E-01 Ex_ueg -0.3317272E-01 Ec_ueg -0.5177826E-02 Delta_ex -0.3818386E-01 Delta_ec 0.1095318E-01 Delta_et -0.1352585E+00 Pxc 0.6406689E+01 Qxc -0.3486099E+01 3,-1 136 3 -1 0.526553 1.682167 -1.722696 Rho 0.5317298E-01 |GRAD(Rho)| 0.1515333E-12 GRAD(Rho)x -0.6388714E-13 GRAD(Rho)y -0.1373128E-12 GRAD(Rho)z -0.5097122E-14 Laplacian 0.2139800E+00 (-1/4)Del**2(Rho)) -0.5349500E-01 Diamond 0.1171618E+00 Metallicity 0.2421355E+01 Ellipticity 0.1312828E-01 Gb(Abramov) 0.5725172E-01 Vb(Abramov) -0.6100845E-01 Hb(Abramov) -0.3756728E-02 Ex_ueg -0.1476748E-01 Ec_ueg -0.2591001E-02 Delta_ex -0.1785811E-01 Delta_ec 0.6317936E-02 Delta_et -0.6767631E-01 Pxc 0.5699527E+01 Qxc -0.2826573E+01 3,-1 137 3 -1 0.579263 2.809029 1.770813 Rho 0.1633109E+00 |GRAD(Rho)| 0.7019283E-13 GRAD(Rho)x 0.6795462E-13 GRAD(Rho)y -0.1712934E-13 GRAD(Rho)z 0.3973438E-14 Laplacian 0.6775284E+00 (-1/4)Del**2(Rho)) -0.1693821E+00 Diamond 0.1517175E+01 Metallicity 0.4962617E+01 Ellipticity 0.1963665E-01 Gb(Abramov) 0.2530178E+00 Vb(Abramov) -0.3366535E+00 Hb(Abramov) -0.8363572E-01 Ex_ueg -0.6592829E-01 Ec_ueg -0.9300975E-02 Delta_ex -0.7427491E-01 Delta_ec 0.1677197E-01 Delta_et -0.2256380E+00 Pxc 0.7088320E+01 Qxc -0.4428514E+01 3,-1 138 3 -1 0.804790 -2.004578 2.990800 Rho 0.1159570E+00 |GRAD(Rho)| 0.9769637E-16 GRAD(Rho)x -0.8546901E-16 GRAD(Rho)y -0.3505361E-16 GRAD(Rho)z 0.3179423E-16 Laplacian 0.4481559E+00 (-1/4)Del**2(Rho)) -0.1120390E+00 Diamond 0.6620463E+00 Metallicity 0.4239805E+01 Ellipticity 0.3480906E-01 Gb(Abramov) 0.1538632E+00 Vb(Abramov) -0.1956874E+00 Hb(Abramov) -0.4182423E-01 Ex_ueg -0.4176199E-01 Ec_ueg -0.6301422E-02 Delta_ex -0.4516277E-01 Delta_ec 0.1198170E-01 Delta_et -0.1528971E+00 Pxc 0.6627391E+01 Qxc -0.3769312E+01 3,-1 139 3 -1 0.857911 2.981049 -1.940394 Rho 0.1451351E+00 |GRAD(Rho)| 0.1967150E-15 GRAD(Rho)x -0.1258759E-15 GRAD(Rho)y 0.6163689E-16 GRAD(Rho)z -0.1380325E-15 Laplacian 0.5695197E+00 (-1/4)Del**2(Rho)) -0.1423799E+00 Diamond 0.1110349E+01 Metallicity 0.4849818E+01 Ellipticity 0.4799714E-01 Gb(Abramov) 0.2100061E+00 Vb(Abramov) -0.2776322E+00 Hb(Abramov) -0.6762614E-01 Ex_ueg -0.5633114E-01 Ec_ueg -0.8132824E-02 Delta_ex -0.6067916E-01 Delta_ec 0.1458742E-01 Delta_et -0.1933228E+00 Pxc 0.6926393E+01 Qxc -0.4159692E+01 3,-1 140 3 +1 1.259901 -1.178285 2.151930 Rho 0.2448021E-01 |GRAD(Rho)| 0.1768578E-16 GRAD(Rho)x -0.3060256E-18 GRAD(Rho)y -0.4371516E-17 GRAD(Rho)z -0.1713426E-16 Laplacian 0.9684949E-01 (-1/4)Del**2(Rho)) -0.2421237E-01 Diamond 0.1344617E-01 Metallicity 0.1468502E+01 Ellipticity -0.6529696E+01 Gb(Abramov) 0.2206757E-01 Vb(Abramov) -0.1992276E-01 Hb(Abramov) 0.2144806E-02 Ex_ueg -0.5249750E-02 Ec_ueg -0.1062579E-02 Delta_ex -0.6117204E-02 Delta_ec 0.1870880E-02 Delta_et -0.1637373E-01 Pxc 0.4940572E+01 Qxc -0.3269693E+01 3,+1 141 3 +1 0.356954 -0.845867 -1.968325 Rho 0.4959451E-02 |GRAD(Rho)| 0.5193288E-14 GRAD(Rho)x -0.3248028E-14 GRAD(Rho)y 0.1337884E-14 GRAD(Rho)z 0.3825000E-14 Laplacian 0.1926295E-01 (-1/4)Del**2(Rho)) -0.4815737E-02 Diamond 0.4613885E-03 Metallicity 0.5159566E+00 Ellipticity -0.4283716E+01 Gb(Abramov) 0.3624610E-02 Vb(Abramov) -0.2433482E-02 Hb(Abramov) 0.1191127E-02 Ex_ueg -0.6246401E-03 Ec_ueg -0.1451682E-03 Delta_ex -0.9722513E-03 Delta_ec 0.6351766E-03 Delta_et -0.3429542E-02 Pxc 0.4302871E+01 Qxc -0.1530679E+01 3,+1 142 3 -1 0.414863 -0.555542 0.399080 Rho 0.1822602E+00 |GRAD(Rho)| 0.1616025E-13 GRAD(Rho)x -0.9488937E-14 GRAD(Rho)y 0.9197504E-14 GRAD(Rho)z -0.9301587E-14 Laplacian 0.4822037E+00 (-1/4)Del**2(Rho)) -0.1205509E+00 Diamond 0.1259652E+01 Metallicity 0.8372767E+01 Ellipticity 0.4448626E-02 Gb(Abramov) 0.2485914E+00 Vb(Abramov) -0.3766319E+00 Hb(Abramov) -0.1280405E+00 Ex_ueg -0.7632043E-01 Ec_ueg -0.1053972E-01 Delta_ex -0.5454870E-01 Delta_ec 0.1198075E-01 Delta_et -0.1643400E+00 Pxc 0.7241223E+01 Qxc -0.4553028E+01 3,-1 143 3 +1 1.386034 -2.235496 1.042493 Rho 0.2718039E-01 |GRAD(Rho)| 0.2680518E-14 GRAD(Rho)x -0.2482477E-14 GRAD(Rho)y -0.8654454E-15 GRAD(Rho)z -0.5229600E-15 Laplacian 0.1078599E+00 (-1/4)Del**2(Rho)) -0.2696499E-01 Diamond 0.1533386E-01 Metallicity 0.1569806E+01 Ellipticity -0.3262231E+01 Gb(Abramov) 0.2503162E-01 Vb(Abramov) -0.2309826E-01 Hb(Abramov) 0.1933364E-02 Ex_ueg -0.6035678E-02 Ec_ueg -0.1199108E-02 Delta_ex -0.6812170E-02 Delta_ec 0.1744497E-02 Delta_et -0.1572958E-01 Pxc 0.5033473E+01 Qxc -0.3904949E+01 3,+1 144 3 +3 2.326526 -0.008312 0.033721 Rho 0.4124592E-02 |GRAD(Rho)| 0.1584121E-16 GRAD(Rho)x 0.1045392E-16 GRAD(Rho)y 0.8320986E-17 GRAD(Rho)z 0.8510036E-17 Laplacian 0.1684330E-01 (-1/4)Del**2(Rho)) -0.4210826E-02 Diamond 0.1323238E-03 Metallicity 0.4339979E+00 Ellipticity -0.3143944E+00 Gb(Abramov) 0.3111799E-02 Vb(Abramov) -0.2012772E-02 Hb(Abramov) 0.1099027E-02 Ex_ueg -0.4885321E-03 Ec_ueg -0.1094372E-03 Delta_ex -0.6021484E-03 Delta_ec 0.1640195E-03 Delta_et -0.9912369E-03 Pxc 0.4464042E+01 Qxc -0.3671199E+01 3,+3 145 3 +1 1.430468 0.983888 -2.198098 Rho 0.2715701E-01 |GRAD(Rho)| 0.2695604E-14 GRAD(Rho)x 0.1883647E-14 GRAD(Rho)y -0.1524939E-14 GRAD(Rho)z -0.1180133E-14 Laplacian 0.1068751E+00 (-1/4)Del**2(Rho)) -0.2671877E-01 Diamond 0.1411955E-01 Metallicity 0.1582000E+01 Ellipticity -0.2588140E+01 Gb(Abramov) 0.2485737E-01 Vb(Abramov) -0.2299596E-01 Hb(Abramov) 0.1861407E-02 Ex_ueg -0.6028755E-02 Ec_ueg -0.1197918E-02 Delta_ex -0.6645667E-02 Delta_ec 0.1545150E-02 Delta_et -0.1396216E-01 Pxc 0.5032696E+01 Qxc -0.4300986E+01 3,+1 146 3 +1 1.372780 2.123777 -1.071298 Rho 0.2673854E-01 |GRAD(Rho)| 0.1579579E-14 GRAD(Rho)x 0.1186572E-14 GRAD(Rho)y 0.8162148E-15 GRAD(Rho)z 0.6487764E-15 Laplacian 0.1031751E+00 (-1/4)Del**2(Rho)) -0.2579377E-01 Diamond 0.1405665E-01 Metallicity 0.1596863E+01 Ellipticity -0.3279264E+01 Gb(Abramov) 0.2406070E-01 Vb(Abramov) -0.2232763E-01 Hb(Abramov) 0.1733069E-02 Ex_ueg -0.5905209E-02 Ec_ueg -0.1176639E-02 Delta_ex -0.6459341E-02 Delta_ec 0.1618482E-02 Delta_et -0.1454637E-01 Pxc 0.5018709E+01 Qxc -0.3990988E+01 3,+1 147 3 +1 2.953589 -0.155402 0.198097 Rho 0.4823583E-02 |GRAD(Rho)| 0.6894613E-16 GRAD(Rho)x 0.5254403E-17 GRAD(Rho)y -0.4310568E-16 GRAD(Rho)z 0.5355241E-16 Laplacian 0.1967180E-01 (-1/4)Del**2(Rho)) -0.4917950E-02 Diamond 0.4221199E-03 Metallicity 0.4823755E+00 Ellipticity -0.2426916E+01 Gb(Abramov) 0.3674016E-02 Vb(Abramov) -0.2430083E-02 Hb(Abramov) 0.1243933E-02 Ex_ueg -0.6019282E-03 Ec_ueg -0.1393288E-03 Delta_ex -0.9567096E-03 Delta_ec 0.5933536E-03 Delta_et -0.3198411E-02 Pxc 0.4320201E+01 Qxc -0.1612377E+01 3,+1 148 3 -1 0.878188 2.004400 -2.969452 Rho 0.1448095E+00 |GRAD(Rho)| 0.8221731E-15 GRAD(Rho)x -0.7371355E-15 GRAD(Rho)y 0.2782198E-15 GRAD(Rho)z 0.2349331E-15 Laplacian 0.5719642E+00 (-1/4)Del**2(Rho)) -0.1429911E+00 Diamond 0.1108964E+01 Metallicity 0.4811044E+01 Ellipticity 0.5904246E-01 Gb(Abramov) 0.2099834E+00 Vb(Abramov) -0.2769758E+00 Hb(Abramov) -0.6699237E-01 Ex_ueg -0.5616268E-01 Ec_ueg -0.8112079E-02 Delta_ex -0.6087328E-01 Delta_ec 0.1459947E-01 Delta_et -0.1932911E+00 Pxc 0.6923339E+01 Qxc -0.4169554E+01 3,-1 149 3 +1 1.620004 -1.974584 -1.947496 Rho 0.6852297E-02 |GRAD(Rho)| 0.7051972E-17 GRAD(Rho)x 0.5222400E-18 GRAD(Rho)y -0.4977994E-17 GRAD(Rho)z 0.4967610E-17 Laplacian 0.3090080E-01 (-1/4)Del**2(Rho)) -0.7725201E-02 Diamond 0.9563786E-03 Metallicity 0.5512776E+00 Ellipticity -0.1858484E+01 Gb(Abramov) 0.5859922E-02 Vb(Abramov) -0.3994644E-02 Hb(Abramov) 0.1865279E-02 Ex_ueg -0.9612433E-03 Ec_ueg -0.2274754E-03 Delta_ex -0.1546666E-02 Delta_ec 0.8152701E-03 Delta_et -0.4926319E-02 Pxc 0.4225702E+01 Qxc -0.1897121E+01 3,+1 150 3 -1 1.357741 -2.146897 -2.118082 Rho 0.7176365E-02 |GRAD(Rho)| 0.1518094E-16 GRAD(Rho)x 0.5683039E-18 GRAD(Rho)y 0.6947465E-17 GRAD(Rho)z -0.1348594E-16 Laplacian 0.2933202E-01 (-1/4)Del**2(Rho)) -0.7333005E-02 Diamond 0.1477043E-02 Metallicity 0.6272568E+00 Ellipticity 0.4955161E+00 Gb(Abramov) 0.5655283E-02 Vb(Abramov) -0.3977561E-02 Hb(Abramov) 0.1677722E-02 Ex_ueg -0.1022330E-02 Ec_ueg -0.2417403E-03 Delta_ex -0.1775720E-02 Delta_ec 0.1296943E-02 Delta_et -0.7705470E-02 Pxc 0.4229042E+01 Qxc -0.1369158E+01 3,-1 151 3 -1 1.684352 -1.797698 0.430908 Rho 0.4559633E-01 |GRAD(Rho)| 0.2872186E-16 GRAD(Rho)x 0.8080483E-17 GRAD(Rho)y 0.1453212E-16 GRAD(Rho)z 0.2341940E-16 Laplacian 0.1840423E+00 (-1/4)Del**2(Rho)) -0.4601058E-01 Diamond 0.8486459E-01 Metallicity 0.2178940E+01 Ellipticity 0.1527271E-01 Gb(Abramov) 0.4738277E-01 Vb(Abramov) -0.4875495E-01 Hb(Abramov) -0.1372189E-02 Ex_ueg -0.1203072E-01 Ec_ueg -0.2172941E-02 Delta_ex -0.1492723E-01 Delta_ec 0.5710115E-02 Delta_et -0.5881636E-01 Pxc 0.5536606E+01 Qxc -0.2614174E+01 3,-1 152 3 -1 1.833890 2.773864 0.546552 Rho 0.1155149E+00 |GRAD(Rho)| 0.2742822E-15 GRAD(Rho)x 0.2381450E-15 GRAD(Rho)y -0.1158301E-15 GRAD(Rho)z -0.7142182E-16 Laplacian 0.4875217E+00 (-1/4)Del**2(Rho)) -0.1218804E+00 Diamond 0.7239446E+00 Metallicity 0.3872716E+01 Ellipticity 0.1304674E-01 Gb(Abramov) 0.1599217E+00 Vb(Abramov) -0.1979629E+00 Hb(Abramov) -0.3804124E-01 Ex_ueg -0.4154979E-01 Ec_ueg -0.6274113E-02 Delta_ex -0.4918467E-01 Delta_ec 0.1322328E-01 Delta_et -0.1689040E+00 Pxc 0.6622417E+01 Qxc -0.3719552E+01 3,-1 153 3 -1 1.782344 0.529807 2.781104 Rho 0.1104481E+00 |GRAD(Rho)| 0.1572531E-15 GRAD(Rho)x 0.9866240E-16 GRAD(Rho)y -0.1176563E-15 GRAD(Rho)z -0.3393045E-16 Laplacian 0.4608182E+00 (-1/4)Del**2(Rho)) -0.1152046E+00 Diamond 0.6391831E+00 Metallicity 0.3802018E+01 Ellipticity 0.8862274E-02 Gb(Abramov) 0.1498047E+00 Vb(Abramov) -0.1844048E+00 Hb(Abramov) -0.3460012E-01 Ex_ueg -0.3913779E-01 Ec_ueg -0.5962197E-02 Delta_ex -0.4586336E-01 Delta_ec 0.1238323E-01 Delta_et -0.1565264E+00 Pxc 0.6564323E+01 Qxc -0.3703666E+01 3,-1 154 3 -1 1.703608 0.448072 -1.811194 Rho 0.3938915E-01 |GRAD(Rho)| 0.1019256E-15 GRAD(Rho)x 0.5328303E-16 GRAD(Rho)y -0.3135176E-16 GRAD(Rho)z -0.8103585E-16 Laplacian 0.1589826E+00 (-1/4)Del**2(Rho)) -0.3974564E-01 Diamond 0.6002600E-01 Metallicity 0.1976475E+01 Ellipticity 0.3244896E-01 Gb(Abramov) 0.3958981E-01 Vb(Abramov) -0.3943397E-01 Hb(Abramov) 0.1558350E-03 Ex_ueg -0.9898146E-02 Ec_ueg -0.1837341E-02 Delta_ex -0.1243382E-01 Delta_ec 0.4930565E-02 Delta_et -0.4881763E-01 Pxc 0.5387213E+01 Qxc -0.2521784E+01 3,-1 155 3 -1 1.752195 1.677842 -0.558955 Rho 0.3924397E-01 |GRAD(Rho)| 0.1117612E-12 GRAD(Rho)x 0.7588453E-13 GRAD(Rho)y 0.7200252E-13 GRAD(Rho)z 0.3934124E-13 Laplacian 0.1539555E+00 (-1/4)Del**2(Rho)) -0.3848888E-01 Diamond 0.5487025E-01 Metallicity 0.2028490E+01 Ellipticity 0.2304337E-01 Gb(Abramov) 0.3867163E-01 Vb(Abramov) -0.3885439E-01 Hb(Abramov) -0.1827572E-03 Ex_ueg -0.9849533E-02 Ec_ueg -0.1829573E-02 Delta_ex -0.1185315E-01 Delta_ec 0.4459440E-02 Delta_et -0.4407761E-01 Pxc 0.5383514E+01 Qxc -0.2657990E+01 3,-1 156 3 -1 1.816575 -2.951788 -0.581388 Rho 0.2138155E+00 |GRAD(Rho)| 0.6536463E-15 GRAD(Rho)x -0.4327593E-15 GRAD(Rho)y -0.1273124E-15 GRAD(Rho)z -0.4730374E-15 Laplacian 0.8192601E+00 (-1/4)Del**2(Rho)) -0.2048150E+00 Diamond 0.2499578E+01 Metallicity 0.6430677E+01 Ellipticity 0.2367597E-01 Gb(Abramov) 0.3560599E+00 Vb(Abramov) -0.5073048E+00 Hb(Abramov) -0.1512449E+00 Ex_ueg -0.9442870E-01 Ec_ueg -0.1264787E-01 Delta_ex -0.9592432E-01 Delta_ec 0.1846899E-01 Delta_et -0.2534577E+00 Pxc 0.7465978E+01 Qxc -0.5193805E+01 3,-1 157 3 -1 1.993371 -3.017466 0.835431 Rho 0.1025671E+00 |GRAD(Rho)| 0.8082198E-16 GRAD(Rho)x 0.4303944E-16 GRAD(Rho)y 0.4745079E-16 GRAD(Rho)z -0.4927699E-16 Laplacian 0.3885100E+00 (-1/4)Del**2(Rho)) -0.9712750E-01 Diamond 0.5007118E+00 Metallicity 0.3986185E+01 Ellipticity 0.2551899E-01 Gb(Abramov) 0.1292797E+00 Vb(Abramov) -0.1614319E+00 Hb(Abramov) -0.3215220E-01 Ex_ueg -0.3545920E-01 Ec_ueg -0.5480816E-02 Delta_ex -0.3812740E-01 Delta_ec 0.1084717E-01 Delta_et -0.1355129E+00 Pxc 0.6469693E+01 Qxc -0.3514964E+01 3,-1 158 3 +1 2.171901 -1.442340 1.033811 Rho 0.2445745E-01 |GRAD(Rho)| 0.7756897E-16 GRAD(Rho)x -0.7239677E-16 GRAD(Rho)y 0.9833531E-18 GRAD(Rho)z -0.2783318E-16 Laplacian 0.9520657E-01 (-1/4)Del**2(Rho)) -0.2380164E-01 Diamond 0.1154205E-01 Metallicity 0.1491529E+01 Ellipticity -0.2863963E+01 Gb(Abramov) 0.2178457E-01 Vb(Abramov) -0.1976749E-01 Hb(Abramov) 0.2017075E-02 Ex_ueg -0.5243244E-02 Ec_ueg -0.1061437E-02 Delta_ex -0.5826430E-02 Delta_ec 0.1507873E-02 Delta_et -0.1326554E-01 Pxc 0.4939761E+01 Qxc -0.3864007E+01 3,+1 159 3 +3 1.911457 -1.925243 1.938057 Rho 0.1161118E-01 |GRAD(Rho)| 0.2291438E-16 GRAD(Rho)x -0.1212051E-16 GRAD(Rho)y -0.1914866E-16 GRAD(Rho)z -0.3389779E-17 Laplacian 0.5321485E-01 (-1/4)Del**2(Rho)) -0.1330371E-01 Diamond 0.1259292E-02 Metallicity 0.7709766E+00 Ellipticity -0.7730271E+00 Gb(Abramov) 0.1057862E-01 Vb(Abramov) -0.7853521E-02 Hb(Abramov) 0.2725095E-02 Ex_ueg -0.1941871E-02 Ec_ueg -0.4416498E-03 Delta_ex -0.2357961E-02 Delta_ec 0.2708276E-03 Delta_et -0.2342672E-02 Pxc 0.4396857E+01 Qxc -0.8706502E+01 3,+3 160 3 +1 2.038221 1.979500 -1.990973 Rho 0.1183173E-01 |GRAD(Rho)| 0.6566274E-12 GRAD(Rho)x 0.1508051E-12 GRAD(Rho)y -0.6026574E-12 GRAD(Rho)z -0.2126533E-12 Laplacian 0.5492524E-01 (-1/4)Del**2(Rho)) -0.1373131E-01 Diamond 0.1690652E-02 Metallicity 0.7707645E+00 Ellipticity -0.1092669E+01 Gb(Abramov) 0.1091814E-01 Vb(Abramov) -0.8104972E-02 Hb(Abramov) 0.2813169E-02 Ex_ueg -0.1991206E-02 Ec_ueg -0.4518067E-03 Delta_ex -0.2551972E-02 Delta_ec 0.4668768E-03 Delta_et -0.3679214E-02 Pxc 0.4407207E+01 Qxc -0.5466051E+01 3,+1 161 3 +3 1.976685 1.907362 -1.929917 Rho 0.1181401E-01 |GRAD(Rho)| 0.9705550E-14 GRAD(Rho)x -0.6338298E-14 GRAD(Rho)y 0.3756469E-14 GRAD(Rho)z 0.6317644E-14 Laplacian 0.5446263E-01 (-1/4)Del**2(Rho)) -0.1361566E-01 Diamond 0.1406943E-02 Metallicity 0.7753721E+00 Ellipticity -0.8778555E+00 Gb(Abramov) 0.1083664E-01 Vb(Abramov) -0.8057619E-02 Hb(Abramov) 0.2779019E-02 Ex_ueg -0.1987230E-02 Ec_ueg -0.4509899E-03 Delta_ex -0.2450939E-02 Delta_ec 0.3228143E-03 Delta_et -0.2708944E-02 Pxc 0.4406374E+01 Qxc -0.7592411E+01 3,+3 162 3 -1 2.014391 2.971076 -0.831970 Rho 0.1319887E+00 |GRAD(Rho)| 0.7632430E-15 GRAD(Rho)x 0.4850585E-15 GRAD(Rho)y -0.2366000E-15 GRAD(Rho)z 0.5397023E-15 Laplacian 0.5161565E+00 (-1/4)Del**2(Rho)) -0.1290391E+00 Diamond 0.9014635E+00 Metallicity 0.4568001E+01 Ellipticity 0.2409441E-01 Gb(Abramov) 0.1842679E+00 Vb(Abramov) -0.2394966E+00 Hb(Abramov) -0.5522876E-01 Ex_ueg -0.4963262E-01 Ec_ueg -0.7300702E-02 Delta_ex -0.5378169E-01 Delta_ec 0.1360546E-01 Delta_et -0.1778591E+00 Pxc 0.6798336E+01 Qxc -0.3952947E+01 3,-1 163 3 -1 1.952134 -0.861156 3.028871 Rho 0.1432350E+00 |GRAD(Rho)| 0.1902842E-11 GRAD(Rho)x -0.1139938E-11 GRAD(Rho)y -0.1295079E-11 GRAD(Rho)z 0.8025695E-12 Laplacian 0.5537525E+00 (-1/4)Del**2(Rho)) -0.1384381E+00 Diamond 0.1055943E+01 Metallicity 0.4879545E+01 Ellipticity 0.5545037E-01 Gb(Abramov) 0.2048779E+00 Vb(Abramov) -0.2713177E+00 Hb(Abramov) -0.6643980E-01 Ex_ueg -0.5534995E-01 Ec_ueg -0.8011872E-02 Delta_ex -0.5873840E-01 Delta_ec 0.1410261E-01 Delta_et -0.1862651E+00 Pxc 0.6908491E+01 Qxc -0.4165073E+01 3,-1 164 3 -1 1.713781 -0.604528 1.715232 Rho 0.3620634E-01 |GRAD(Rho)| 0.2713744E-16 GRAD(Rho)x 0.1156200E-17 GRAD(Rho)y 0.1821645E-16 GRAD(Rho)z 0.2008146E-16 Laplacian 0.1492447E+00 (-1/4)Del**2(Rho)) -0.3731117E-01 Diamond 0.4942892E-01 Metallicity 0.1829597E+01 Ellipticity 0.3824313E-01 Gb(Abramov) 0.3625151E-01 Vb(Abramov) -0.3519186E-01 Hb(Abramov) 0.1059658E-02 Ex_ueg -0.8846360E-02 Ec_ueg -0.1667961E-02 Delta_ex -0.1137960E-01 Delta_ec 0.4533341E-02 Delta_et -0.4385604E-01 Pxc 0.5303696E+01 Qxc -0.2510202E+01 3,-1 165 3 -1 1.890985 -0.615905 -2.983634 Rho 0.2251625E+00 |GRAD(Rho)| 0.8687362E-15 GRAD(Rho)x 0.6105142E-15 GRAD(Rho)y 0.5342948E-15 GRAD(Rho)z 0.3106510E-15 Laplacian 0.8519122E+00 (-1/4)Del**2(Rho)) -0.2129780E+00 Diamond 0.2771696E+01 Metallicity 0.6740804E+01 Ellipticity 0.1768895E-01 Gb(Abramov) 0.3812592E+00 Vb(Abramov) -0.5495404E+00 Hb(Abramov) -0.1682812E+00 Ex_ueg -0.1011687E+00 Ec_ueg -0.1341947E-01 Delta_ex -0.1011255E+00 Delta_ec 0.1898148E-01 Delta_et -0.2614336E+00 Pxc 0.7538952E+01 Qxc -0.5327587E+01 3,-1 166 3 -1 1.994114 0.828516 -3.039261 Rho 0.1207376E+00 |GRAD(Rho)| 0.9719685E-14 GRAD(Rho)x 0.4725387E-14 GRAD(Rho)y -0.7762874E-14 GRAD(Rho)z 0.3446852E-14 Laplacian 0.4567825E+00 (-1/4)Del**2(Rho)) -0.1141956E+00 Diamond 0.7159693E+00 Metallicity 0.4449465E+01 Ellipticity 0.3102342E-01 Gb(Abramov) 0.1608153E+00 Vb(Abramov) -0.2074350E+00 Hb(Abramov) -0.4661970E-01 Ex_ueg -0.4407324E-01 Ec_ueg -0.6597555E-02 Delta_ex -0.4657876E-01 Delta_ec 0.1227780E-01 Delta_et -0.1580857E+00 Pxc 0.6680239E+01 Qxc -0.3793740E+01 3,-1 167 3 -1 2.765950 0.544881 1.856061 Rho 0.1159294E+00 |GRAD(Rho)| 0.5515523E-12 GRAD(Rho)x -0.1140675E-12 GRAD(Rho)y -0.3786773E-12 GRAD(Rho)z 0.3844503E-12 Laplacian 0.4858780E+00 (-1/4)Del**2(Rho)) -0.1214695E+00 Diamond 0.7165399E+00 Metallicity 0.3909087E+01 Ellipticity 0.1199698E-01 Gb(Abramov) 0.1601188E+00 Vb(Abramov) -0.1987681E+00 Hb(Abramov) -0.3864931E-01 Ex_ueg -0.4174873E-01 Ec_ueg -0.6299716E-02 Delta_ex -0.4894702E-01 Delta_ec 0.1296520E-01 Delta_et -0.1654000E+00 Pxc 0.6627081E+01 Qxc -0.3775261E+01 3,-1 168 3 -1 3.201779 -3.210146 -0.100290 Rho 0.2227392E+00 |GRAD(Rho)| 0.1903382E-13 GRAD(Rho)x 0.1712638E-13 GRAD(Rho)y 0.4716279E-17 GRAD(Rho)z 0.8305009E-14 Laplacian 0.8158707E+00 (-1/4)Del**2(Rho)) -0.2039677E+00 Diamond 0.2641627E+01 Metallicity 0.6912784E+01 Ellipticity 0.1271448E-01 Gb(Abramov) 0.3709759E+00 Vb(Abramov) -0.5379841E+00 Hb(Abramov) -0.1670082E+00 Ex_ueg -0.9971963E-01 Ec_ueg -0.1325409E-01 Delta_ex -0.9670220E-01 Delta_ec 0.1846126E-01 Delta_et -0.2550523E+00 Pxc 0.7523686E+01 Qxc -0.5238114E+01 3,-1 169 3 -1 2.803998 1.800834 0.588503 Rho 0.1531696E+00 |GRAD(Rho)| 0.1289262E-15 GRAD(Rho)x 0.2070149E-16 GRAD(Rho)y 0.1020234E-15 GRAD(Rho)z -0.7605678E-16 Laplacian 0.6381782E+00 (-1/4)Del**2(Rho)) -0.1595446E+00 Diamond 0.1321959E+01 Metallicity 0.4734699E+01 Ellipticity 0.1790337E-01 Gb(Abramov) 0.2322623E+00 Vb(Abramov) -0.3049800E+00 Hb(Abramov) -0.7271772E-01 Ex_ueg -0.6052693E-01 Ec_ueg -0.8646725E-02 Delta_ex -0.6884731E-01 Delta_ec 0.1603524E-01 Delta_et -0.2139016E+00 Pxc 0.6999984E+01 Qxc -0.4293501E+01 3,-1 170 3 -1 3.056149 1.993129 -0.841429 Rho 0.1867776E+00 |GRAD(Rho)| 0.2920602E-15 GRAD(Rho)x 0.1689458E-15 GRAD(Rho)y 0.1082305E-15 GRAD(Rho)z 0.2122326E-15 Laplacian 0.7258341E+00 (-1/4)Del**2(Rho)) -0.1814585E+00 Diamond 0.1904550E+01 Metallicity 0.5794069E+01 Ellipticity 0.5082011E-01 Gb(Abramov) 0.2962029E+00 Vb(Abramov) -0.4109472E+00 Hb(Abramov) -0.1147444E+00 Ex_ueg -0.7885296E-01 Ec_ueg -0.1083808E-01 Delta_ex -0.8225767E-01 Delta_ec 0.1727992E-01 Delta_et -0.2357145E+00 Pxc 0.7275550E+01 Qxc -0.4760302E+01 3,-1 171 3 -1 2.764624 -1.837118 -0.621098 Rho 0.1406442E+00 |GRAD(Rho)| 0.1181794E-13 GRAD(Rho)x -0.5313397E-14 GRAD(Rho)y 0.1020677E-13 GRAD(Rho)z -0.2693172E-14 Laplacian 0.5695539E+00 (-1/4)Del**2(Rho)) -0.1423885E+00 Diamond 0.1055851E+01 Metallicity 0.4602018E+01 Ellipticity 0.1245575E-01 Gb(Abramov) 0.2041380E+00 Vb(Abramov) -0.2658876E+00 Hb(Abramov) -0.6174955E-01 Ex_ueg -0.5401914E-01 Ec_ueg -0.7847328E-02 Delta_ex -0.6007321E-01 Delta_ec 0.1444088E-01 Delta_et -0.1899498E+00 Pxc 0.6883763E+01 Qxc -0.4159941E+01 3,-1 172 3 -1 2.952304 -2.005413 0.819640 Rho 0.7600885E-01 |GRAD(Rho)| 0.1218640E-15 GRAD(Rho)x 0.7596869E-16 GRAD(Rho)y 0.8722576E-16 GRAD(Rho)z 0.3835704E-16 Laplacian 0.3008024E+00 (-1/4)Del**2(Rho)) -0.7520059E-01 Diamond 0.2660974E+00 Metallicity 0.3124440E+01 Ellipticity 0.5277813E-02 Gb(Abramov) 0.8929368E-01 Vb(Abramov) -0.1033868E+00 Hb(Abramov) -0.1409309E-01 Ex_ueg -0.2377957E-01 Ec_ueg -0.3896374E-02 Delta_ex -0.2747397E-01 Delta_ec 0.8784896E-02 Delta_et -0.1028214E+00 Pxc 0.6103000E+01 Qxc -0.3127410E+01 3,-1 173 3 -1 2.987650 -0.862911 2.046605 Rho 0.1725839E+00 |GRAD(Rho)| 0.8817825E-15 GRAD(Rho)x -0.3864368E-15 GRAD(Rho)y 0.5136679E-15 GRAD(Rho)z 0.6036160E-15 Laplacian 0.6646411E+00 (-1/4)Del**2(Rho)) -0.1661603E+00 Diamond 0.1577384E+01 Metallicity 0.5546596E+01 Ellipticity 0.6368302E-01 Gb(Abramov) 0.2643775E+00 Vb(Abramov) -0.3625947E+00 Hb(Abramov) -0.9821722E-01 Ex_ueg -0.7096630E-01 Ec_ueg -0.9904559E-02 Delta_ex -0.7376617E-01 Delta_ec 0.1602884E-01 Delta_et -0.2165067E+00 Pxc 0.7165014E+01 Qxc -0.4602089E+01 3,-1 174 3 -1 2.774412 -0.607178 -1.863089 Rho 0.1191601E+00 |GRAD(Rho)| 0.1076936E-15 GRAD(Rho)x -0.1031415E-15 GRAD(Rho)y -0.2216516E-16 GRAD(Rho)z -0.2164339E-16 Laplacian 0.4780920E+00 (-1/4)Del**2(Rho)) -0.1195230E+00 Diamond 0.7324792E+00 Metallicity 0.4158975E+01 Ellipticity 0.1115458E-01 Gb(Abramov) 0.1625308E+00 Vb(Abramov) -0.2055387E+00 Hb(Abramov) -0.4300786E-01 Ex_ueg -0.4330713E-01 Ec_ueg -0.6499658E-02 Delta_ex -0.4852975E-01 Delta_ec 0.1276591E-01 Delta_et -0.1637911E+00 Pxc 0.6662986E+01 Qxc -0.3801511E+01 3,-1 175 3 -1 3.249637 3.181704 0.074108 Rho 0.2394692E+00 |GRAD(Rho)| 0.9376452E-15 GRAD(Rho)x -0.7454432E-15 GRAD(Rho)y -0.5039372E-15 GRAD(Rho)z -0.2637051E-15 Laplacian 0.8702381E+00 (-1/4)Del**2(Rho)) -0.2175595E+00 Diamond 0.3072005E+01 Metallicity 0.7312365E+01 Ellipticity 0.4061864E-02 Gb(Abramov) 0.4101855E+00 Vb(Abramov) -0.6028114E+00 Hb(Abramov) -0.1926259E+00 Ex_ueg -0.1098292E+00 Ec_ueg -0.1440243E-01 Delta_ex -0.1050946E+00 Delta_ec 0.1925990E-01 Delta_et -0.2668642E+00 Pxc 0.7625744E+01 Qxc -0.5456651E+01 3,-1 176 3 -1 -2.836503 -1.767581 0.569311 Rho 0.1426338E+00 |GRAD(Rho)| 0.2309792E-15 GRAD(Rho)x -0.6775586E-16 GRAD(Rho)y 0.1551493E-15 GRAD(Rho)z 0.1571280E-15 Laplacian 0.5966308E+00 (-1/4)Del**2(Rho)) -0.1491577E+00 Diamond 0.1117645E+01 Metallicity 0.4497229E+01 Ellipticity 0.2528765E-01 Gb(Abramov) 0.2112378E+00 Vb(Abramov) -0.2733180E+00 Hb(Abramov) -0.6208015E-01 Ex_ueg -0.5504041E-01 Ec_ueg -0.7973652E-02 Delta_ex -0.6306893E-01 Delta_ec 0.1493780E-01 Delta_et -0.1965871E+00 Pxc 0.6902786E+01 Qxc -0.4222103E+01 3,-1 177 3 -1 -0.554057 2.753245 -1.763628 Rho 0.1430440E+00 |GRAD(Rho)| 0.2084361E-15 GRAD(Rho)x -0.1663437E-15 GRAD(Rho)y -0.3497907E-16 GRAD(Rho)z 0.1206310E-15 Laplacian 0.6004634E+00 (-1/4)Del**2(Rho)) -0.1501159E+00 Diamond 0.1142845E+01 Metallicity 0.4489960E+01 Ellipticity 0.1060590E-01 Gb(Abramov) 0.2124129E+00 Vb(Abramov) -0.2747100E+00 Hb(Abramov) -0.6229708E-01 Ex_ueg -0.5525154E-01 Ec_ueg -0.7999725E-02 Delta_ex -0.6366882E-01 Delta_ec 0.1529085E-01 Delta_et -0.2019062E+00 Pxc 0.6906681E+01 Qxc -0.4163850E+01 3,-1 178 3 +3 -0.280358 -0.635389 -2.803230 Rho 0.3043857E-02 |GRAD(Rho)| 0.1636771E-15 GRAD(Rho)x -0.1493949E-15 GRAD(Rho)y 0.3459051E-16 GRAD(Rho)z -0.5722657E-16 Laplacian 0.1228500E-01 (-1/4)Del**2(Rho)) -0.3071249E-02 Diamond 0.9348500E-04 Metallicity 0.3586014E+00 Ellipticity -0.3086966E+00 Gb(Abramov) 0.2231059E-02 Vb(Abramov) -0.1390868E-02 Hb(Abramov) 0.8401908E-03 Ex_ueg -0.3257998E-03 Ec_ueg -0.6372839E-04 Delta_ex -0.4604531E-03 Delta_ec 0.2143910E-03 Delta_et -0.1073905E-02 Pxc 0.5112318E+01 Qxc -0.2147726E+01 3,+3 179 3 -1 -0.560249 -0.545675 -0.544542 Rho 0.1900890E+00 |GRAD(Rho)| 0.1506715E-15 GRAD(Rho)x -0.2081668E-16 GRAD(Rho)y -0.3469447E-17 GRAD(Rho)z 0.1491862E-15 Laplacian 0.5122699E+00 (-1/4)Del**2(Rho)) -0.1280675E+00 Diamond 0.1385151E+01 Metallicity 0.8453623E+01 Ellipticity 0.2415522E-01 Gb(Abramov) 0.2658173E+00 Vb(Abramov) -0.4035672E+00 Hb(Abramov) -0.1377498E+00 Ex_ueg -0.8072248E-01 Ec_ueg -0.1105753E-01 Delta_ex -0.5840332E-01 Delta_ec 0.1229778E-01 Delta_et -0.1685455E+00 Pxc 0.7300230E+01 Qxc -0.4749096E+01 3,-1 180 3 -1 0.098385 3.231057 3.161810 Rho 0.2388597E+00 |GRAD(Rho)| 0.6691561E-15 GRAD(Rho)x -0.2025290E-15 GRAD(Rho)y -0.4606775E-15 GRAD(Rho)z -0.4410534E-15 Laplacian 0.8738741E+00 (-1/4)Del**2(Rho)) -0.2184685E+00 Diamond 0.3068588E+01 Metallicity 0.7251078E+01 Ellipticity 0.3910968E-02 Gb(Abramov) 0.4096677E+00 Vb(Abramov) -0.6008669E+00 Hb(Abramov) -0.1911992E+00 Ex_ueg -0.1094567E+00 Ec_ueg -0.1436033E-01 Delta_ex -0.1054270E+00 Delta_ec 0.1928988E-01 Delta_et -0.2669701E+00 Pxc 0.7622159E+01 Qxc -0.5465406E+01 3,-1 181 3 -1 2.990728 0.817560 -2.026978 Rho 0.7383466E-01 |GRAD(Rho)| 0.5431643E-16 GRAD(Rho)x -0.4038738E-16 GRAD(Rho)y -0.2951402E-16 GRAD(Rho)z -0.2116735E-16 Laplacian 0.2986273E+00 (-1/4)Del**2(Rho)) -0.7465681E-01 Diamond 0.2544028E+00 Metallicity 0.2998593E+01 Ellipticity 0.1780276E-02 Gb(Abramov) 0.8708211E-01 Vb(Abramov) -0.9950740E-01 Hb(Abramov) -0.1242529E-01 Ex_ueg -0.2287698E-01 Ec_ueg -0.3769554E-02 Delta_ex -0.2708201E-01 Delta_ec 0.8744165E-02 Delta_et -0.1016474E+00 Pxc 0.6068883E+01 Qxc -0.3097152E+01 3,-1 182 3 -1 3.163318 0.028829 3.249059 Rho 0.2283455E+00 |GRAD(Rho)| 0.6541767E-15 GRAD(Rho)x -0.3290011E-15 GRAD(Rho)y -0.1454999E-15 GRAD(Rho)z -0.5463837E-15 Laplacian 0.8190696E+00 (-1/4)Del**2(Rho)) -0.2047674E+00 Diamond 0.2743514E+01 Metallicity 0.7177056E+01 Ellipticity 0.4350706E-02 Gb(Abramov) 0.3814495E+00 Vb(Abramov) -0.5581315E+00 Hb(Abramov) -0.1766821E+00 Ex_ueg -0.1030801E+00 Ec_ueg -0.1363719E-01 Delta_ex -0.9777165E-01 Delta_ec 0.1851351E-01 Delta_et -0.2565629E+00 Pxc 0.7558751E+01 Qxc -0.5281099E+01 3,-1 183 3 -1 3.238096 -0.077659 -3.251734 Rho 0.2226646E+00 |GRAD(Rho)| 0.5594001E-14 GRAD(Rho)x -0.4485073E-14 GRAD(Rho)y 0.3294524E-14 GRAD(Rho)z 0.5683930E-15 Laplacian 0.8078378E+00 (-1/4)Del**2(Rho)) -0.2019594E+00 Diamond 0.2621407E+01 Metallicity 0.6977627E+01 Ellipticity 0.1600385E-01 Gb(Abramov) 0.3695059E+00 Vb(Abramov) -0.5370524E+00 Hb(Abramov) -0.1675465E+00 Ex_ueg -0.9967511E-01 Ec_ueg -0.1324901E-01 Delta_ex -0.9578204E-01 Delta_ec 0.1835312E-01 Delta_et -0.2538412E+00 Pxc 0.7523214E+01 Qxc -0.5218844E+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 79 126 122 138 123 134 142 179 132 121 136 125 177 148 139 129 55 118 137 107 117 180 151 171 156 172 157 168 155 169 152 170 162 175 95 80 96 83 97 68 59 176 135 63 90 60 56 76 101 65 85 73 72 71 98 78 92 74 164 167 153 173 163 182 154 174 165 181 166 183 127 77 69 150 113 130 133 102 1 1 1 1 1 1 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 14 14 17 21 21 25 28 37 13 24 26 33 39 41 13 14 15 16 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 42 21 28 19 28 36 27 52 52 2.393494 2.016565 1.870567 2.005250 1.894810 1.735154 1.708157 1.688968 1.717237 1.727713 2.345073 1.945771 1.931705 1.938129 1.937009 1.742418 2.414188 1.898754 1.880692 2.020264 1.930394 1.745291 2.388990 1.916492 1.759911 2.178704 2.057164 1.745367 2.471589 1.904423 2.016260 1.839735 1.974672 1.744401 2.386172 1.821534 1.958298 1.960376 2.011639 1.748887 2.366600 1.907607 2.064839 1.890209 1.956230 1.732429 2.345199 2.199271 1.944796 2.043115 1.745693 1.746698 2.387045 1.992064 1.887465 1.957714 1.900822 1.742988 2.483297 1.990645 2.012414 1.846018 1.919019 1.735754 2.450247 1.983235 1.741691 2.189947 1.989500 1.745692 3.285002 3.201096 3.182852 3.033118 3.250218 3.215782 1.923634 0.994202 2.395340 2.017118 1.871336 2.006077 1.895486 1.735174 1.708169 1.689020 1.717259 1.727721 2.346782 1.946194 1.932208 1.938768 1.937616 1.742428 2.415848 1.899220 1.881057 2.020789 1.930992 1.745298 2.390815 1.917095 1.760061 2.179510 2.057848 1.745398 2.473240 1.904909 2.016639 1.840071 1.975266 1.744412 2.387648 1.821860 1.958623 1.960944 2.012225 1.748903 2.368879 1.908370 2.065415 1.890922 1.957720 1.732460 2.347582 2.199777 1.945300 2.043801 1.745743 1.746733 2.388740 1.992527 1.888009 1.958352 1.901337 1.742995 2.484947 1.991288 2.013260 1.846544 1.919696 1.735776 2.451920 1.983831 1.741762 2.190697 1.990274 1.745735 3.331934 3.205888 3.193765 3.042736 3.253655 3.220056 1.926182 0.994327 30 27 26 27 26 23 24 21 23 22 30 27 25 27 28 23 30 28 29 28 28 22 29 25 24 25 27 23 31 25 28 23 27 23 30 24 26 26 30 24 29 25 27 26 26 23 30 28 27 27 24 24 30 27 29 28 29 24 31 25 27 22 26 22 29 25 24 25 26 23 35 35 35 33 35 35 27 23 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 Mo As W W Mo W W Mo Mo W 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 H 2.3113 2.4319 2.4524 2.4750 2.2272 2.4410 2.4586 2.3024 2.2343 2.4588 2.2791 2.2145 -1.1161 -1.0292 -1.1189 -1.1222 -0.9184 -0.9451 -0.9147 -0.9414 -0.6907 -0.9362 -0.9506 -0.9291 -0.9653 -0.9018 -0.9592 -0.7561 -0.8866 -0.9166 -0.9354 -0.9781 -0.9108 -0.9527 -0.9705 -0.7183 -0.7669 -0.9854 -0.9121 -0.9721 -0.7313 -0.7598 -0.7988 -0.8161 -0.7561 -0.8126 -0.8239 -0.7190 -0.7503 -0.8051 -0.7379 0.3249 1.9290 0.8326 2.0967 2.0871 1.9700 2.0941 2.0903 1.9697 1.9902 2.0889 1.9553 1.9885 1.9399 1.9506 1.9370 1.9317 1.9377 1.9398 1.9440 1.9333 1.9816 1.9347 1.9343 1.9357 1.9310 1.9427 1.9335 1.9795 1.9544 1.9468 1.9474 1.9412 1.9461 1.9428 1.9422 1.9715 1.8803 1.9410 1.9488 1.9411 1.9731 1.9696 1.9640 1.9618 1.9699 1.9623 1.9605 1.9745 1.9688 1.9630 1.9727 0.5402 6.0914 1.1848 6.0996 6.0856 6.1069 6.0960 6.0885 6.0883 6.0974 6.0901 6.0992 6.1051 5.1392 5.0419 5.1453 5.1538 4.9533 4.9800 4.9411 4.9806 4.6758 4.9744 4.9896 4.9653 5.0048 4.9324 4.9956 4.7459 4.9054 4.9421 4.9585 5.0057 4.9375 4.9809 4.9963 4.7158 4.8577 5.0147 4.9359 4.9995 4.7258 4.7595 4.7998 4.8200 4.7553 4.8157 4.8297 4.7118 4.7508 4.8073 4.7328 0.1349 3.6684 10.5507 3.3218 3.3227 3.6959 3.3398 3.3331 3.6396 3.6781 3.3328 3.6664 3.6920 0.0369 0.0367 0.0366 0.0368 0.0274 0.0253 0.0296 0.0275 0.0334 0.0272 0.0267 0.0282 0.0295 0.0266 0.0301 0.0307 0.0268 0.0277 0.0294 0.0312 0.0272 0.0289 0.0320 0.0310 0.0289 0.0297 0.0274 0.0315 0.0324 0.0307 0.0349 0.0343 0.0308 0.0346 0.0337 0.0328 0.0306 0.0348 0.0323 0.0000 0.0000 0.0000 14.0295 14.0296 0.0000 14.0291 14.0295 0.0000 0.0000 14.0295 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 Mo As W W Mo W W Mo Mo W 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 H 3.171194 2.310740 2.514016 2.504058 3.138648 2.498982 2.496011 3.179768 3.155974 2.505585 3.169255 3.132220 -1.204947 -1.119507 -1.127476 -1.098115 -1.085698 -1.213418 -1.017035 -1.075831 -0.980638 -1.072902 -1.089709 -1.059921 -0.973252 -1.174079 -0.967195 -0.961576 -1.145881 -1.161711 -1.017813 -0.961389 -1.172236 -1.065863 -0.955497 -0.990299 -0.713729 -0.970974 -1.163734 -0.957337 -1.002484 -1.037597 -0.834665 -0.855497 -1.031645 -0.851125 -0.866043 -0.987194 -1.023567 -0.841994 -1.011636 0.064758 2.370762 1.707553 1.945937 1.937089 2.345907 1.943257 1.926393 2.362673 2.349885 1.944779 2.364114 2.340838 -0.895494 -0.832181 -0.790623 -0.742538 -0.822092 -0.934755 -0.814066 -0.826820 -0.772282 -0.827586 -0.821420 -0.820944 -0.728391 -0.915791 -0.735467 -0.755667 -0.948117 -0.934875 -0.866794 -0.787027 -0.954184 -0.872746 -0.788624 -0.781263 -0.860926 -0.807902 -0.947388 -0.786901 -0.773489 -0.825083 -0.734178 -0.758270 -0.807211 -0.749049 -0.770468 -0.745095 -0.816227 -0.740193 -0.786382 0.339321 2.458076 1.680186 2.052150 2.039353 2.415098 2.042437 2.025619 2.493864 2.443374 2.045962 2.452012 2.414560 -0.902430 -0.883591 -0.832304 -0.798860 -0.913886 -1.016906 -0.867448 -0.918234 -0.779862 -0.907838 -0.928061 -0.892572 -0.809843 -1.039144 -0.812638 -0.822859 -0.976197 -0.980734 -0.887849 -0.826038 -0.990526 -0.924847 -0.812477 -0.769981 -0.913770 -0.846168 -0.999373 -0.820674 -0.730644 -0.798179 -0.697289 -0.726119 -0.766228 -0.716467 -0.737608 -0.730327 -0.801576 -0.708051 -0.748822 0.473732 0.07909363 -5.05673980 -0.72121673 5.10852491 -15.38631859 3.72649782 -0.43304910 9.73451391 7.98451708 5.65180468 -347.4546 408.3492 -95.4990 -367.9635 -42.6798 -445.2478 Jun10-2024 16:31:06 Nodes: 1 Procs: 1 Jun10-2024 16:31:08 Nodes: 1 Procs: 1 0 Jun10-2024 16:31:10 Nodes: 1 Procs: 1 Jun10-2024 16:31:12 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 16:31:15 Nodes: 1 Procs: 1 Jun10-2024 16:31:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 16:31:19 Nodes: 1 Procs: 1 Jun10-2024 16:31:21 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 16:31:23 Nodes: 1 Procs: 1 Jun10-2024 16:31:25 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 16:31:31 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -15.77201028 -16.17217162 -16.01469053 -16.10825736 -16.25831386 -16.29355102 -16.33372462 -16.33796944 -16.33973468 -16.34318664 -16.34754048 -16.35125837 -16.35416287 -16.35540950 -16.35841841 -16.35980605 -16.36101960 -16.36145731 -16.36180945 -16.36196869 -16.36213573 -16.36221809 -16.36233477 -16.36238617 -16.36243361 -16.36246665 -16.36249815 -16.36252143 -16.36253877 -16.36254836 -16.36255436 GEOMETRY CONVERGED