ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:54:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 1.73 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 Jun19-2024 14:54:32 Nodes: 1 Procs: 1 Jun19-2024 14:54:35 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:54:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.04 2.04 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 Jun19-2024 14:54:32 Nodes: 1 Procs: 1 Jun19-2024 14:54:35 Nodes: 1 Procs: 1 0 Jun19-2024 14:54:38 Nodes: 1 Procs: 1 Jun19-2024 14:54:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:54:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.82 0.06 2.77 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 14:54:32 Nodes: 1 Procs: 1 Jun19-2024 14:54:35 Nodes: 1 Procs: 1 0 Jun19-2024 14:54:38 Nodes: 1 Procs: 1 Jun19-2024 14:54:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 14:54:43 Nodes: 1 Procs: 1 Jun19-2024 14:54:47 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:54:51 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.04 1.62 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 Jun19-2024 14:54:32 Nodes: 1 Procs: 1 Jun19-2024 14:54:35 Nodes: 1 Procs: 1 0 Jun19-2024 14:54:38 Nodes: 1 Procs: 1 Jun19-2024 14:54:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 14:54:43 Nodes: 1 Procs: 1 Jun19-2024 14:54:47 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 14:54:51 Nodes: 1 Procs: 1 Jun19-2024 14:54:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:54:56 Hydrogen (TZP) c10-26 c10-26 c10-26 c10-26 c10-26 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.07 4.44 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 Jun19-2024 14:54:32 Nodes: 1 Procs: 1 Jun19-2024 14:54:35 Nodes: 1 Procs: 1 0 Jun19-2024 14:54:38 Nodes: 1 Procs: 1 Jun19-2024 14:54:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 14:54:43 Nodes: 1 Procs: 1 Jun19-2024 14:54:47 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 14:54:51 Nodes: 1 Procs: 1 Jun19-2024 14:54:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 14:54:56 Nodes: 1 Procs: 1 Jun19-2024 14:54:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:55:07 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2712.4619000000057 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Ta ADF 2019.304 Jun19-2024 14:54:47 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 14:54:41 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun19-2024 14:54:59 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 14:54:53 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 14:54:35 1 1 Hydrogen TZP 1 1 -16.71135661 0.28974555 0.00100000 F 0.09522929 0.00066667 F 0.28974555 0.09522929 0.29936201 0.01000000 F 0.07273658 0.00666667 F Cartesian 2712.4619000000057 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53.226338 52.416088 76.501145 46.581292 175.567252 267.180458 114.562430 129.806150 86.757804 34.102520 72.932469 96.926171 412.644008 329.631230 184.689464 799.748744 75.496263 468.094512 309.289459 49.643546 34.130896 124.408442 155.886619 45.353781 125.407370 18.329487 220.701436 347.967335 189.396014 216.348787 56.828296 192.568621 54.580973 60.230496 97.305017 36.054267 20.298357 145.285220 211.644182 39.378335 1.139240 242.952907 382.154606 108.704393 30.232378 113.169976 184.568702 29.197137 37.707915 596.872355 156.538366 142.408433 23.765689 57.024433 140.687570 334.420312 572.552539 3673.543979 6553.183352 3433.991178 1935.770476 1603.623902 745.222490 533.508609 586.108916 1151.850909 1400.212277 454.885834 374.011361 850.848775 261.837183 293.800087 86.221701 811.229166 709.257085 427.899023 88.179723 479.081860 311.091398 252.339458 191.531655 104.666401 82.984449 22.872771 82.382056 43.339772 293.554204 243.267274 1437.898782 880.312795 765.944675 1.000000 298.150000 84494.9155 86202.9845 96163.3893 1 NOSYM 298.15 49.560 41.767 229.528 320.855 0.889 0.889 138.569 140.347 2.981 2.981 220.418 226.380 2712.4619000000057 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273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 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 -5.982 -5.957 -5.927 -5.902 -5.867 -5.828 -5.796 -5.740 -5.634 -5.577 -2.607 -2.486 -2.261 -2.229 -1.884 -1.834 -1.810 -1.724 -1.701 -1.632 A A A A A A A A A A A A A A A A A A A A 0.00000000062140 0.00042846039398 0.00031952139546 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 73 73 73 33 74 74 74 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 1 1 0.072374 -2.575659 2.582351 -2.575522 2.591689 0.152276 -2.623316 -2.598035 -0.087501 -0.080196 -0.058158 -0.026344 0.073098 2.439823 -2.558739 -0.129180 2.542015 2.589848 2.501014 -2.639956 0.069239 2.512946 2.564991 -0.084379 -2.695853 -0.121866 -2.516642 -2.599864 0.090686 2.583101 2.572443 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3.804396 0.223575 -3.787278 3.861849 -0.168569 -3.929051 -3.782595 0.199772 -3.869701 0.354342 -3.720132 -3.774504 -0.170698 3.850940 3.793162 0.252158 3.733710 -1.592819 -2.293684 -2.976644 -0.626872 -3.388592 -1.407941 1.228428 -1.972349 -2.412788 1 3 -3 0.072374 -2.575659 2.582351 Rho 0.3882646E+07 3,-3 2 3 -3 -2.575522 2.591689 0.152276 Rho 0.3882646E+07 3,-3 3 3 -3 -2.623316 -2.598035 -0.087501 Rho 0.3882646E+07 3,-3 4 3 -3 -0.080196 -0.058158 -0.026344 Rho 0.4276084E+05 3,-3 5 3 -3 0.073098 2.439823 -2.558739 Rho 0.4361414E+07 3,-3 6 3 -3 -0.129180 2.542015 2.589848 Rho 0.4361414E+07 3,-3 7 3 -3 2.501014 -2.639956 0.069239 Rho 0.4361415E+07 3,-3 8 3 -3 2.512946 2.564991 -0.084379 Rho 0.4361414E+07 3,-3 9 3 -3 -2.695853 -0.121866 -2.516642 Rho 0.4361415E+07 3,-3 10 3 -3 -2.599864 0.090686 2.583101 Rho 0.4361415E+07 3,-3 11 3 -3 2.572443 -0.149429 2.551128 Rho 0.4361415E+07 3,-3 12 3 -3 2.665594 0.088307 -2.520818 Rho 0.4361415E+07 3,-3 13 3 -3 0.945398 -1.025765 0.943218 Rho 0.3190119E+03 3,-3 14 3 -3 -1.120059 -0.984833 -0.974637 Rho 0.3190637E+03 3,-3 15 3 -3 0.949518 0.928989 -0.982013 Rho 0.3190154E+03 3,-3 16 3 -3 -0.988070 0.969678 1.007897 Rho 0.3189971E+03 3,-3 17 3 -3 -3.117908 -1.130339 1.256692 Rho 0.3188732E+03 3,-3 18 3 -3 3.084896 -1.128449 -1.112905 Rho 0.3188616E+03 3,-3 19 3 -3 -3.064934 1.176667 -1.169601 Rho 0.3188605E+03 3,-3 20 3 -3 2.998323 1.190069 1.143149 Rho 0.3188686E+03 3,-3 21 3 -3 1.389102 -1.239903 -3.089519 Rho 0.3187369E+03 3,-3 22 3 -3 1.162694 1.169264 2.965644 Rho 0.3188630E+03 3,-3 23 3 -3 -1.162289 1.063066 -3.015140 Rho 0.3188712E+03 3,-3 24 3 -3 -1.202407 -1.105325 3.082959 Rho 0.3188510E+03 3,-3 25 3 -3 -1.127399 3.003495 -1.218404 Rho 0.3188703E+03 3,-3 26 3 -3 -1.237591 -3.084508 1.219953 Rho 0.3188194E+03 3,-3 27 3 -3 1.129076 3.039958 1.137399 Rho 0.3188707E+03 3,-3 28 3 -3 1.277694 -3.079130 -1.185213 Rho 0.3191320E+03 3,-3 29 3 -3 3.434322 -1.459157 1.517438 Rho 0.3189742E+03 3,-3 30 3 -3 -3.579611 -1.468606 -1.528489 Rho 0.3189274E+03 3,-3 31 3 -3 3.440614 1.543053 -1.471384 Rho 0.3189429E+03 3,-3 32 3 -3 -3.446632 1.548431 1.618046 Rho 0.3189065E+03 3,-3 33 3 -3 1.556825 -1.444024 3.468872 Rho 0.3189336E+03 3,-3 34 3 -3 1.560284 1.414530 -3.407066 Rho 0.3189398E+03 3,-3 35 3 -3 -1.501264 1.548947 3.464845 Rho 0.3189434E+03 3,-3 36 3 -3 -1.856281 -1.545686 -3.576729 Rho 0.3187153E+03 3,-3 37 3 -3 -1.593682 -3.572717 -1.534728 Rho 0.3186720E+03 3,-3 38 3 -3 -1.454272 3.483312 1.574015 Rho 0.3189214E+03 3,-3 39 3 -3 1.595648 -3.449107 1.540383 Rho 0.3189050E+03 3,-3 40 3 -3 1.509865 3.359350 -1.553895 Rho 0.3189402E+03 3,-3 41 3 -3 -0.188228 -3.786871 3.868728 Rho 0.3191379E+03 3,-3 42 3 -3 3.951859 -0.133325 -3.680785 Rho 0.3192710E+03 3,-3 43 3 -3 -0.187181 3.610126 -3.828495 Rho 0.3192802E+03 3,-3 44 3 -3 0.265741 3.727427 3.809082 Rho 0.3192779E+03 3,-3 45 3 -3 3.816523 -3.768852 -0.192462 Rho 0.3192452E+03 3,-3 46 3 -3 3.700727 3.804396 0.223575 Rho 0.3192852E+03 3,-3 47 3 -3 -3.787278 3.861849 -0.168569 Rho 0.3191457E+03 3,-3 48 3 -3 -3.929051 -3.782595 0.199772 Rho 0.3191379E+03 3,-3 49 3 -3 -3.869701 0.354342 -3.720132 Rho 0.3192694E+03 3,-3 50 3 -3 -3.774504 -0.170698 3.850940 Rho 0.3192645E+03 3,-3 51 3 -3 3.793162 0.252158 3.733710 Rho 0.3192719E+03 3,-3 52 3 -3 -1.592819 -2.293684 -2.976644 Rho 0.4467772E+00 3,-3 53 3 -3 -0.626872 -3.388592 -1.407941 Rho 0.4501550E+00 3,-3 54 3 -3 1.228428 -1.972349 -2.412788 Rho 0.4281569E+00 3,-3 55 3 -1 -1.761154 0.521274 1.760100 Rho 0.4457035E-01 |GRAD(Rho)| 0.1439597E-15 GRAD(Rho)x -0.4729027E-16 GRAD(Rho)y -0.7769918E-16 GRAD(Rho)z 0.1115835E-15 Laplacian 0.1764852E+00 (-1/4)Del**2(Rho)) -0.4412131E-01 Diamond 0.7535287E-01 Metallicity 0.2187669E+01 Ellipticity 0.2486759E-01 Gb(Abramov) 0.4550134E-01 Vb(Abramov) -0.4688137E-01 Hb(Abramov) -0.1380032E-02 Ex_ueg -0.1167114E-01 Ec_ueg -0.2117017E-02 Delta_ex -0.1405550E-01 Delta_ec 0.5158156E-02 Delta_et -0.5274925E-01 Pxc 0.5513010E+01 Qxc -0.2724907E+01 3,-1 56 3 +1 -1.532120 -1.996091 -1.962015 Rho 0.1085554E-01 |GRAD(Rho)| 0.1956056E-13 GRAD(Rho)x -0.5599753E-14 GRAD(Rho)y -0.1447992E-13 GRAD(Rho)z -0.1189918E-13 Laplacian 0.4702230E-01 (-1/4)Del**2(Rho)) -0.1175558E-01 Diamond 0.1564382E-02 Metallicity 0.7799411E+00 Ellipticity -0.1314411E+01 Gb(Abramov) 0.9365160E-02 Vb(Abramov) -0.6974744E-02 Hb(Abramov) 0.2390416E-02 Ex_ueg -0.1775226E-02 Ec_ueg -0.4069980E-03 Delta_ex -0.2225518E-02 Delta_ec 0.5643516E-03 Delta_et -0.4165870E-02 Pxc 0.4361757E+01 Qxc -0.3943495E+01 3,+1 57 3 +1 -1.736926 0.592158 -0.484300 Rho 0.8853282E-02 |GRAD(Rho)| 0.6834659E-17 GRAD(Rho)x -0.3355898E-17 GRAD(Rho)y 0.5018531E-17 GRAD(Rho)z 0.3203882E-17 Laplacian 0.3359105E-01 (-1/4)Del**2(Rho)) -0.8397763E-02 Diamond 0.9317551E-03 Metallicity 0.7772548E+00 Ellipticity -0.1486648E+01 Gb(Abramov) 0.6686376E-02 Vb(Abramov) -0.4974988E-02 Hb(Abramov) 0.1711387E-02 Ex_ueg -0.1352667E-02 Ec_ueg -0.3163269E-03 Delta_ex -0.1544400E-02 Delta_ec 0.4699983E-03 Delta_et -0.3238619E-02 Pxc 0.4276168E+01 Qxc -0.3285970E+01 3,+1 58 3 +1 0.498843 1.671800 0.513005 Rho 0.8028497E-02 |GRAD(Rho)| 0.4075033E-15 GRAD(Rho)x 0.1647547E-16 GRAD(Rho)y -0.2734389E-15 GRAD(Rho)z -0.3016930E-15 Laplacian 0.3154374E-01 (-1/4)Del**2(Rho)) -0.7885934E-02 Diamond 0.7611763E-03 Metallicity 0.7032188E+00 Ellipticity -0.1400885E+01 Gb(Abramov) 0.6181545E-02 Vb(Abramov) -0.4477157E-02 Hb(Abramov) 0.1704388E-02 Ex_ueg -0.1187310E-02 Ec_ueg -0.2794825E-03 Delta_ex -0.1412551E-02 Delta_ec 0.4372660E-03 Delta_et -0.2941673E-02 Pxc 0.4248244E+01 Qxc -0.3230415E+01 3,+1 59 3 +1 -1.758868 -0.538008 0.598241 Rho 0.8547011E-02 |GRAD(Rho)| 0.1091069E-16 GRAD(Rho)x -0.9494981E-17 GRAD(Rho)y 0.2621140E-17 GRAD(Rho)z 0.4692357E-17 Laplacian 0.3189151E-01 (-1/4)Del**2(Rho)) -0.7972877E-02 Diamond 0.8321773E-03 Metallicity 0.7720200E+00 Ellipticity -0.1475439E+01 Gb(Abramov) 0.6341122E-02 Vb(Abramov) -0.4709366E-02 Hb(Abramov) 0.1631756E-02 Ex_ueg -0.1290637E-02 Ec_ueg -0.3026099E-03 Delta_ex -0.1448236E-02 Delta_ec 0.4373106E-03 Delta_et -0.2993575E-02 Pxc 0.4265019E+01 Qxc -0.3311687E+01 3,+1 60 3 +1 -0.589639 0.497612 -1.651267 Rho 0.9241305E-02 |GRAD(Rho)| 0.2498205E-13 GRAD(Rho)x 0.2702830E-14 GRAD(Rho)y -0.1187556E-13 GRAD(Rho)z -0.2181212E-13 Laplacian 0.3598631E-01 (-1/4)Del**2(Rho)) -0.8996578E-02 Diamond 0.1080931E-02 Metallicity 0.7792881E+00 Ellipticity -0.1500461E+01 Gb(Abramov) 0.7166206E-02 Vb(Abramov) -0.5335835E-02 Hb(Abramov) 0.1830372E-02 Ex_ueg -0.1432285E-02 Ec_ueg -0.3337644E-03 Delta_ex -0.1681939E-02 Delta_ec 0.5200246E-03 Delta_et -0.3609702E-02 Pxc 0.4291306E+01 Qxc -0.3234345E+01 3,+1 61 3 -1 -1.829592 -1.747212 -0.512413 Rho 0.4774767E-01 |GRAD(Rho)| 0.3644075E-16 GRAD(Rho)x 0.8419507E-17 GRAD(Rho)y 0.3413966E-16 GRAD(Rho)z -0.9566814E-17 Laplacian 0.2032875E+00 (-1/4)Del**2(Rho)) -0.5082187E-01 Diamond 0.1036578E+00 Metallicity 0.2130212E+01 Ellipticity 0.1467332E-01 Gb(Abramov) 0.5192481E-01 Vb(Abramov) -0.5302775E-01 Hb(Abramov) -0.1102940E-02 Ex_ueg -0.1279346E-01 Ec_ueg -0.2290757E-02 Delta_ex -0.1685498E-01 Delta_ec 0.6620988E-02 Delta_et -0.6911700E-01 Pxc 0.5584818E+01 Qxc -0.2545689E+01 3,-1 62 3 +1 -2.982764 -0.095651 -0.065402 Rho 0.4844226E-02 |GRAD(Rho)| 0.6030736E-17 GRAD(Rho)x 0.1005421E-18 GRAD(Rho)y 0.4653421E-17 GRAD(Rho)z -0.3834755E-17 Laplacian 0.1924442E-01 (-1/4)Del**2(Rho)) -0.4811104E-02 Diamond 0.4283058E-03 Metallicity 0.4966103E+00 Ellipticity -0.3975346E+01 Gb(Abramov) 0.3605610E-02 Vb(Abramov) -0.2400116E-02 Hb(Abramov) 0.1205494E-02 Ex_ueg -0.6053654E-03 Ec_ueg -0.1402154E-03 Delta_ex -0.9492751E-03 Delta_ec 0.6029078E-03 Delta_et -0.3244562E-02 Pxc 0.4317397E+01 Qxc -0.1574495E+01 3,+1 63 3 +3 -2.457182 0.043548 0.076791 Rho 0.4385134E-02 |GRAD(Rho)| 0.9705327E-15 GRAD(Rho)x 0.7295690E-15 GRAD(Rho)y -0.4516348E-15 GRAD(Rho)z -0.4535294E-15 Laplacian 0.1763346E-01 (-1/4)Del**2(Rho)) -0.4408364E-02 Diamond 0.1568097E-03 Metallicity 0.4591069E+00 Ellipticity -0.2179697E+00 Gb(Abramov) 0.3276228E-02 Vb(Abramov) -0.2144092E-02 Hb(Abramov) 0.1132136E-02 Ex_ueg -0.5301054E-03 Ec_ueg -0.1205493E-03 Delta_ex -0.6471481E-03 Delta_ec 0.1841295E-03 Delta_et -0.1113190E-02 Pxc 0.4397415E+01 Qxc -0.3514636E+01 3,+3 64 3 +1 1.036435 -2.215735 1.422612 Rho 0.2661535E-01 |GRAD(Rho)| 0.3988553E-13 GRAD(Rho)x -0.2056234E-13 GRAD(Rho)y -0.3076224E-13 GRAD(Rho)z -0.1489062E-13 Laplacian 0.1024448E+00 (-1/4)Del**2(Rho)) -0.2561119E-01 Diamond 0.1311619E-01 Metallicity 0.1595917E+01 Ellipticity -0.2667890E+01 Gb(Abramov) 0.2388635E-01 Vb(Abramov) -0.2216151E-01 Hb(Abramov) 0.1724841E-02 Ex_ueg -0.5868961E-02 Ec_ueg -0.1170383E-02 Delta_ex -0.6330427E-02 Delta_ec 0.1472831E-02 Delta_et -0.1325000E-01 Pxc 0.5014563E+01 Qxc -0.4298135E+01 3,+1 65 3 +1 -1.816289 -1.766199 1.810147 Rho 0.1130360E-01 |GRAD(Rho)| 0.8141778E-16 GRAD(Rho)x -0.1403301E-16 GRAD(Rho)y 0.6925634E-16 GRAD(Rho)z 0.4044117E-16 Laplacian 0.5309921E-01 (-1/4)Del**2(Rho)) -0.1327480E-01 Diamond 0.1880996E-02 Metallicity 0.7388442E+00 Ellipticity -0.1257206E+01 Gb(Abramov) 0.1048454E-01 Vb(Abramov) -0.7694270E-02 Hb(Abramov) 0.2790265E-02 Ex_ueg -0.1873587E-02 Ec_ueg -0.4275167E-03 Delta_ex -0.2544506E-02 Delta_ec 0.6449286E-03 Delta_et -0.4800582E-02 Pxc 0.4382488E+01 Qxc -0.3945407E+01 3,+1 66 3 -1 -3.152585 -0.842793 -1.980021 Rho 0.1650523E+00 |GRAD(Rho)| 0.2781039E-13 GRAD(Rho)x -0.1689724E-13 GRAD(Rho)y 0.7125214E-14 GRAD(Rho)z 0.2090771E-13 Laplacian 0.6274822E+00 (-1/4)Del**2(Rho)) -0.1568706E+00 Diamond 0.1436372E+01 Metallicity 0.5453993E+01 Ellipticity 0.2515890E-01 Gb(Abramov) 0.2471755E+00 Vb(Abramov) -0.3374805E+00 Hb(Abramov) -0.9030496E-01 Ex_ueg -0.6686733E-01 Ec_ueg -0.9413943E-02 Delta_ex -0.6908658E-01 Delta_ec 0.1569847E-01 Delta_et -0.2120201E+00 Pxc 0.7103010E+01 Qxc -0.4400847E+01 3,-1 67 3 -1 -3.113902 -1.994301 -0.848535 Rho 0.1031225E+00 |GRAD(Rho)| 0.2587528E-13 GRAD(Rho)x 0.1026411E-13 GRAD(Rho)y 0.2065040E-13 GRAD(Rho)z -0.1173622E-13 Laplacian 0.4283110E+00 (-1/4)Del**2(Rho)) -0.1070778E+00 Diamond 0.5719933E+00 Metallicity 0.3648461E+01 Ellipticity 0.1076220E-01 Gb(Abramov) 0.1364967E+00 Vb(Abramov) -0.1659156E+00 Hb(Abramov) -0.2941892E-01 Ex_ueg -0.3571547E-01 Ec_ueg -0.5514588E-02 Delta_ex -0.4235529E-01 Delta_ec 0.1242420E-01 Delta_et -0.1559931E+00 Pxc 0.6476544E+01 Qxc -0.3409095E+01 3,-1 68 3 -1 -2.863103 -0.561909 1.869857 Rho 0.1663993E+00 |GRAD(Rho)| 0.8512005E-16 GRAD(Rho)x 0.4805726E-16 GRAD(Rho)y -0.4003417E-16 GRAD(Rho)z 0.5773377E-16 Laplacian 0.6802952E+00 (-1/4)Del**2(Rho)) -0.1700738E+00 Diamond 0.1552605E+01 Metallicity 0.5099195E+01 Ellipticity 0.1092252E-01 Gb(Abramov) 0.2579224E+00 Vb(Abramov) -0.3457711E+00 Hb(Abramov) -0.8784864E-01 Ex_ueg -0.6759591E-01 Ec_ueg -0.9501441E-02 Delta_ex -0.7487989E-01 Delta_ec 0.1667578E-01 Delta_et -0.2246285E+00 Pxc 0.7114279E+01 Qxc -0.4490339E+01 3,-1 69 3 -1 -3.329697 0.134437 -3.167036 Rho 0.2374302E+00 |GRAD(Rho)| 0.8913491E-14 GRAD(Rho)x -0.6259316E-14 GRAD(Rho)y 0.6324341E-14 GRAD(Rho)z 0.5234528E-15 Laplacian 0.8791152E+00 (-1/4)Del**2(Rho)) -0.2197788E+00 Diamond 0.3057371E+01 Metallicity 0.7136094E+01 Ellipticity 0.4234480E-02 Gb(Abramov) 0.4079129E+00 Vb(Abramov) -0.5960469E+00 Hb(Abramov) -0.1881341E+00 Ex_ueg -0.1085841E+00 Ec_ueg -0.1426165E-01 Delta_ex -0.1058533E+00 Delta_ec 0.1936873E-01 Delta_et -0.2676934E+00 Pxc 0.7613713E+01 Qxc -0.5465166E+01 3,-1 70 3 +1 -1.384125 2.198500 1.102898 Rho 0.2593125E-01 |GRAD(Rho)| 0.2077947E-16 GRAD(Rho)x 0.9196898E-17 GRAD(Rho)y 0.5503515E-17 GRAD(Rho)z 0.1780210E-16 Laplacian 0.9842780E-01 (-1/4)Del**2(Rho)) -0.2460695E-01 Diamond 0.1233394E-01 Metallicity 0.1590503E+01 Ellipticity -0.2833763E+01 Gb(Abramov) 0.2292754E-01 Vb(Abramov) -0.2124813E-01 Hb(Abramov) 0.1679412E-02 Ex_ueg -0.5668694E-02 Ec_ueg -0.1135715E-02 Delta_ex -0.6057286E-02 Delta_ec 0.1447866E-02 Delta_et -0.1294080E-01 Pxc 0.4991301E+01 Qxc -0.4183596E+01 3,+1 71 3 -1 -2.824927 1.837792 -0.547381 Rho 0.1194342E+00 |GRAD(Rho)| 0.2464520E-15 GRAD(Rho)x 0.1863472E-17 GRAD(Rho)y 0.2123545E-15 GRAD(Rho)z 0.1250627E-15 Laplacian 0.5178106E+00 (-1/4)Del**2(Rho)) -0.1294526E+00 Diamond 0.8265529E+00 Metallicity 0.3854698E+01 Ellipticity 0.2172516E-01 Gb(Abramov) 0.1694686E+00 Vb(Abramov) -0.2094845E+00 Hb(Abramov) -0.4001593E-01 Ex_ueg -0.4344004E-01 Ec_ueg -0.6516660E-02 Delta_ex -0.5300907E-01 Delta_ec 0.1456674E-01 Delta_et -0.1881981E+00 Pxc 0.6665997E+01 Qxc -0.3639047E+01 3,-1 72 3 -1 -3.024463 2.030078 0.927496 Rho 0.1226278E+00 |GRAD(Rho)| 0.3154406E-15 GRAD(Rho)x -0.1921681E-15 GRAD(Rho)y 0.7193681E-16 GRAD(Rho)z 0.2395816E-15 Laplacian 0.4994767E+00 (-1/4)Del**2(Rho)) -0.1248692E+00 Diamond 0.8183700E+00 Metallicity 0.4175862E+01 Ellipticity 0.1662313E-01 Gb(Abramov) 0.1701522E+00 Vb(Abramov) -0.2154352E+00 Hb(Abramov) -0.4528301E-01 Ex_ueg -0.4499562E-01 Ec_ueg -0.6715085E-02 Delta_ex -0.5139154E-01 Delta_ec 0.1385880E-01 Delta_et -0.1797398E+00 Pxc 0.6700678E+01 Qxc -0.3708224E+01 3,-1 73 3 +1 -2.238958 -2.173106 -2.066429 Rho 0.1084194E-01 |GRAD(Rho)| 0.6359045E-17 GRAD(Rho)x -0.3668043E-17 GRAD(Rho)y 0.7581758E-18 GRAD(Rho)z -0.5138879E-17 Laplacian 0.4481632E-01 (-1/4)Del**2(Rho)) -0.1120408E-01 Diamond 0.1317032E-02 Metallicity 0.8166233E+00 Ellipticity -0.1247040E+01 Gb(Abramov) 0.8994305E-02 Vb(Abramov) -0.6784530E-02 Hb(Abramov) 0.2209774E-02 Ex_ueg -0.1772260E-02 Ec_ueg -0.4063762E-03 Delta_ex -0.2063700E-02 Delta_ec 0.4366313E-03 Delta_et -0.3310538E-02 Pxc 0.4361133E+01 Qxc -0.4726414E+01 3,+1 74 3 -1 -2.874344 -1.820220 0.623096 Rho 0.1040328E+00 |GRAD(Rho)| 0.5652902E-12 GRAD(Rho)x 0.7802193E-13 GRAD(Rho)y -0.4042620E-12 GRAD(Rho)z -0.3873473E-12 Laplacian 0.4524720E+00 (-1/4)Del**2(Rho)) -0.1131180E+00 Diamond 0.6143545E+00 Metallicity 0.3504603E+01 Ellipticity 0.2062174E-01 Gb(Abramov) 0.1414843E+00 Vb(Abramov) -0.1698506E+00 Hb(Abramov) -0.2836628E-01 Ex_ueg -0.3613646E-01 Ec_ueg -0.5569987E-02 Delta_ex -0.4489495E-01 Delta_ec 0.1320585E-01 Delta_et -0.1662331E+00 Pxc 0.6487709E+01 Qxc -0.3399627E+01 3,-1 75 3 +1 -2.322059 -1.413188 -1.034503 Rho 0.2724909E-01 |GRAD(Rho)| 0.3276387E-16 GRAD(Rho)x -0.1777974E-16 GRAD(Rho)y 0.2266370E-16 GRAD(Rho)z -0.1561118E-16 Laplacian 0.1058012E+00 (-1/4)Del**2(Rho)) -0.2645029E-01 Diamond 0.1382429E-01 Metallicity 0.1607100E+01 Ellipticity -0.2572184E+01 Gb(Abramov) 0.2471823E-01 Vb(Abramov) -0.2298618E-01 Hb(Abramov) 0.1732055E-02 Ex_ueg -0.6056026E-02 Ec_ueg -0.1202606E-02 Delta_ex -0.6563808E-02 Delta_ec 0.1491776E-02 Delta_et -0.1349762E-01 Pxc 0.5035754E+01 Qxc -0.4399997E+01 3,+1 76 3 +1 -1.774080 1.722601 -1.767777 Rho 0.1177856E-01 |GRAD(Rho)| 0.1137372E-14 GRAD(Rho)x -0.5815444E-15 GRAD(Rho)y 0.3207280E-15 GRAD(Rho)z 0.9233387E-15 Laplacian 0.5760229E-01 (-1/4)Del**2(Rho)) -0.1440057E-01 Diamond 0.2213107E-02 Metallicity 0.7294474E+00 Ellipticity -0.1258526E+01 Gb(Abramov) 0.1135113E-01 Vb(Abramov) -0.8301678E-02 Hb(Abramov) 0.3049447E-02 Ex_ueg -0.1979284E-02 Ec_ueg -0.4493564E-03 Delta_ex -0.2806631E-02 Delta_ec 0.7282000E-03 Delta_et -0.5450561E-02 Pxc 0.4404709E+01 Qxc -0.3854203E+01 3,+1 77 3 -1 -3.227200 3.274751 -0.019338 Rho 0.2158243E+00 |GRAD(Rho)| 0.7480877E-12 GRAD(Rho)x 0.5074863E-12 GRAD(Rho)y -0.5328035E-12 GRAD(Rho)z 0.1349564E-12 Laplacian 0.8097275E+00 (-1/4)Del**2(Rho)) -0.2024319E+00 Diamond 0.2513066E+01 Metallicity 0.6608579E+01 Ellipticity 0.2212569E-02 Gb(Abramov) 0.3579191E+00 Vb(Abramov) -0.5134063E+00 Hb(Abramov) -0.1554872E+00 Ex_ueg -0.9561341E-01 Ec_ueg -0.1278395E-01 Delta_ex -0.9512727E-01 Delta_ec 0.1836588E-01 Delta_et -0.2528026E+00 Pxc 0.7479177E+01 Qxc -0.5179566E+01 3,-1 78 3 -1 -2.241475 -0.885401 -3.055501 Rho 0.1391996E+00 |GRAD(Rho)| 0.2881324E-09 GRAD(Rho)x 0.1261023E-09 GRAD(Rho)y -0.2117093E-09 GRAD(Rho)z -0.1493240E-09 Laplacian 0.5246055E+00 (-1/4)Del**2(Rho)) -0.1311514E+00 Diamond 0.9902456E+00 Metallicity 0.4911079E+01 Ellipticity 0.1110516E+00 Gb(Abramov) 0.1947834E+00 Vb(Abramov) -0.2584154E+00 Hb(Abramov) -0.6363201E-01 Ex_ueg -0.5328059E-01 Ec_ueg -0.7755759E-02 Delta_ex -0.5551983E-01 Delta_ec 0.1391871E-01 Delta_et -0.1840301E+00 Pxc 0.6869810E+01 Qxc -0.3988864E+01 3,-1 79 3 +3 -1.940096 -1.968293 -1.915612 Rho 0.1020872E-01 |GRAD(Rho)| 0.6337990E-16 GRAD(Rho)x -0.4773241E-16 GRAD(Rho)y 0.3947143E-16 GRAD(Rho)z 0.1344005E-16 Laplacian 0.4347198E-01 (-1/4)Del**2(Rho)) -0.1086799E-01 Diamond 0.7363290E-03 Metallicity 0.7615338E+00 Ellipticity -0.6396885E+00 Gb(Abramov) 0.8624720E-02 Vb(Abramov) -0.6381447E-02 Hb(Abramov) 0.2243274E-02 Ex_ueg -0.1635611E-02 Ec_ueg -0.3775218E-03 Delta_ex -0.1811734E-02 Delta_ec 0.1420878E-03 Delta_et -0.1373676E-02 Pxc 0.4332495E+01 Qxc -0.1275080E+02 3,+3 80 3 -1 -1.869186 -0.538738 -1.705954 Rho 0.4955789E-01 |GRAD(Rho)| 0.3876554E-14 GRAD(Rho)x -0.2343102E-14 GRAD(Rho)y -0.2459947E-14 GRAD(Rho)z 0.1867138E-14 Laplacian 0.1990864E+00 (-1/4)Del**2(Rho)) -0.4977159E-01 Diamond 0.1000279E+00 Metallicity 0.2314335E+01 Ellipticity 0.2813764E-01 Gb(Abramov) 0.5237909E-01 Vb(Abramov) -0.5498658E-01 Hb(Abramov) -0.2607496E-02 Ex_ueg -0.1344422E-01 Ec_ueg -0.2390450E-02 Delta_ex -0.1636451E-01 Delta_ec 0.5957047E-02 Delta_et -0.6267710E-01 Pxc 0.5624135E+01 Qxc -0.2747085E+01 3,-1 81 3 +3 -1.183278 -1.145430 1.155753 Rho 0.5079299E-02 |GRAD(Rho)| 0.6726257E-17 GRAD(Rho)x -0.1370728E-17 GRAD(Rho)y 0.5056828E-17 GRAD(Rho)z 0.4218071E-17 Laplacian 0.1860852E-01 (-1/4)Del**2(Rho)) -0.4652130E-02 Diamond 0.1256563E-03 Metallicity 0.5557860E+00 Ellipticity -0.1040029E+00 Gb(Abramov) 0.3532351E-02 Vb(Abramov) -0.2412573E-02 Hb(Abramov) 0.1119778E-02 Ex_ueg -0.6448471E-03 Ec_ueg -0.1503269E-03 Delta_ex -0.6392489E-03 Delta_ec 0.7040495E-04 Delta_et -0.5922435E-03 Pxc 0.4289631E+01 Qxc -0.9079601E+01 3,+3 82 3 -1 -1.880266 0.505555 -2.766140 Rho 0.1202988E+00 |GRAD(Rho)| 0.1840310E-15 GRAD(Rho)x -0.6304636E-16 GRAD(Rho)y -0.1719138E-15 GRAD(Rho)z 0.1839078E-16 Laplacian 0.4988672E+00 (-1/4)Del**2(Rho)) -0.1247168E+00 Diamond 0.7794198E+00 Metallicity 0.4049459E+01 Ellipticity 0.8645346E-02 Gb(Abramov) 0.1673171E+00 Vb(Abramov) -0.2099174E+00 Hb(Abramov) -0.4260032E-01 Ex_ueg -0.4385981E-01 Ec_ueg -0.6570307E-02 Delta_ex -0.5083813E-01 Delta_ec 0.1344190E-01 Delta_et -0.1729999E+00 Pxc 0.6675458E+01 Qxc -0.3782063E+01 3,-1 83 3 -1 -1.850065 -0.546394 2.836394 Rho 0.1538151E+00 |GRAD(Rho)| 0.7213566E-15 GRAD(Rho)x -0.4725224E-15 GRAD(Rho)y 0.5400411E-15 GRAD(Rho)z -0.7371220E-16 Laplacian 0.6370283E+00 (-1/4)Del**2(Rho)) -0.1592571E+00 Diamond 0.1321692E+01 Metallicity 0.4776606E+01 Ellipticity 0.8328063E-02 Gb(Abramov) 0.2329561E+00 Vb(Abramov) -0.3066552E+00 Hb(Abramov) -0.7369904E-01 Ex_ueg -0.6086726E-01 Ec_ueg -0.8688182E-02 Delta_ex -0.6875062E-01 Delta_ec 0.1591094E-01 Delta_et -0.2121745E+00 Pxc 0.7005753E+01 Qxc -0.4320965E+01 3,-1 84 3 +1 -0.011315 -3.008138 -0.023781 Rho 0.4152832E-02 |GRAD(Rho)| 0.1222684E-11 GRAD(Rho)x 0.1191986E-11 GRAD(Rho)y 0.2548005E-12 GRAD(Rho)z -0.9592982E-13 Laplacian 0.1561221E-01 (-1/4)Del**2(Rho)) -0.3903052E-02 Diamond 0.2795840E-03 Metallicity 0.4735757E+00 Ellipticity -0.2948860E+01 Gb(Abramov) 0.2910100E-02 Vb(Abramov) -0.1917148E-02 Hb(Abramov) 0.9929523E-03 Ex_ueg -0.4929969E-03 Ec_ueg -0.1106399E-03 Delta_ex -0.7443872E-03 Delta_ec 0.4828558E-03 Delta_et -0.2483447E-02 Pxc 0.4455870E+01 Qxc -0.1541635E+01 3,+1 85 3 -1 -2.063207 -3.100528 -0.843476 Rho 0.1182437E+00 |GRAD(Rho)| 0.3359748E-12 GRAD(Rho)x -0.1891611E-12 GRAD(Rho)y 0.1512512E-12 GRAD(Rho)z 0.2328524E-12 Laplacian 0.4521766E+00 (-1/4)Del**2(Rho)) -0.1130442E+00 Diamond 0.7209159E+00 Metallicity 0.4341118E+01 Ellipticity 0.8783677E-01 Gb(Abramov) 0.1571524E+00 Vb(Abramov) -0.2012607E+00 Hb(Abramov) -0.4410828E-01 Ex_ueg -0.4286363E-01 Ec_ueg -0.6442869E-02 Delta_ex -0.4628730E-01 Delta_ec 0.1293935E-01 Delta_et -0.1671548E+00 Pxc 0.6652880E+01 Qxc -0.3577250E+01 3,-1 86 3 -1 -1.620442 -2.719918 -2.462229 Rho 0.2842755E-01 |GRAD(Rho)| 0.2743751E-14 GRAD(Rho)x -0.2525718E-14 GRAD(Rho)y -0.1071861E-14 GRAD(Rho)z -0.5358120E-17 Laplacian 0.8504972E-01 (-1/4)Del**2(Rho)) -0.2126243E-01 Diamond 0.2891327E-01 Metallicity 0.2145389E+01 Ellipticity 0.2801833E-01 Gb(Abramov) 0.2177765E-01 Vb(Abramov) -0.2229287E-01 Hb(Abramov) -0.5152207E-03 Ex_ueg -0.6407732E-02 Ec_ueg -0.1262787E-02 Delta_ex -0.6905907E-02 Delta_ec 0.3997843E-02 Delta_et -0.3606030E-01 Pxc 0.5074276E+01 Qxc -0.1727408E+01 3,-1 87 3 +1 -2.192424 1.402441 1.122721 Rho 0.2654826E-01 |GRAD(Rho)| 0.2112223E-16 GRAD(Rho)x 0.1867308E-16 GRAD(Rho)y 0.9282717E-17 GRAD(Rho)z 0.3360957E-17 Laplacian 0.1018632E+00 (-1/4)Del**2(Rho)) -0.2546580E-01 Diamond 0.1377522E-01 Metallicity 0.1598292E+01 Ellipticity -0.3359012E+01 Gb(Abramov) 0.2376083E-01 Vb(Abramov) -0.2205586E-01 Hb(Abramov) 0.1704970E-02 Ex_ueg -0.5849245E-02 Ec_ueg -0.1166978E-02 Delta_ex -0.6368212E-02 Delta_ec 0.1603875E-02 Delta_et -0.1438974E-01 Pxc 0.5012300E+01 Qxc -0.3970516E+01 3,+1 88 3 -1 -2.008701 0.861162 3.031165 Rho 0.1157681E+00 |GRAD(Rho)| 0.1597269E-15 GRAD(Rho)x -0.7833361E-16 GRAD(Rho)y -0.1121065E-15 GRAD(Rho)z 0.8251456E-16 Laplacian 0.4549292E+00 (-1/4)Del**2(Rho)) -0.1137323E+00 Diamond 0.6767920E+00 Metallicity 0.4165344E+01 Ellipticity 0.1750233E-01 Gb(Abramov) 0.1547772E+00 Vb(Abramov) -0.1958221E+00 Hb(Abramov) -0.4104492E-01 Ex_ueg -0.4167129E-01 Ec_ueg -0.6289752E-02 Delta_ex -0.4591279E-01 Delta_ec 0.1231955E-01 Delta_et -0.1574017E+00 Pxc 0.6625268E+01 Qxc -0.3726824E+01 3,-1 89 3 +3 -1.178743 1.112107 -1.097240 Rho 0.5277735E-02 |GRAD(Rho)| 0.6369024E-17 GRAD(Rho)x -0.2325828E-17 GRAD(Rho)y 0.1467508E-17 GRAD(Rho)z -0.5744685E-17 Laplacian 0.2016173E-01 (-1/4)Del**2(Rho)) -0.5040432E-02 Diamond 0.1476382E-03 Metallicity 0.5468036E+00 Ellipticity -0.1707749E+00 Gb(Abramov) 0.3819642E-02 Vb(Abramov) -0.2598853E-02 Hb(Abramov) 0.1220790E-02 Ex_ueg -0.6786541E-03 Ec_ueg -0.1588844E-03 Delta_ex -0.7036820E-03 Delta_ec 0.8266488E-04 Delta_et -0.6781295E-03 Pxc 0.4271371E+01 Qxc -0.8512466E+01 3,+3 90 3 +1 -0.635843 -1.700909 0.565516 Rho 0.8336680E-02 |GRAD(Rho)| 0.6864258E-15 GRAD(Rho)x -0.5964742E-15 GRAD(Rho)y -0.2911373E-15 GRAD(Rho)z -0.1750371E-15 Laplacian 0.3025724E-01 (-1/4)Del**2(Rho)) -0.7564311E-02 Diamond 0.7645489E-03 Metallicity 0.7806188E+00 Ellipticity -0.1501180E+01 Gb(Abramov) 0.6027015E-02 Vb(Abramov) -0.4489718E-02 Hb(Abramov) 0.1537296E-02 Ex_ueg -0.1248464E-02 Ec_ueg -0.2932139E-03 Delta_ex -0.1366006E-02 Delta_ec 0.4160577E-03 Delta_et -0.2829029E-02 Pxc 0.4257860E+01 Qxc -0.3283214E+01 3,+1 91 3 -1 -1.884335 -2.846457 0.606710 Rho 0.1304899E+00 |GRAD(Rho)| 0.3881914E-14 GRAD(Rho)x 0.2517816E-14 GRAD(Rho)y 0.2669807E-14 GRAD(Rho)z -0.1265698E-14 Laplacian 0.5534363E+00 (-1/4)Del**2(Rho)) -0.1383591E+00 Diamond 0.9745351E+00 Metallicity 0.4179974E+01 Ellipticity 0.2782517E-01 Gb(Abramov) 0.1886289E+00 Vb(Abramov) -0.2388988E+00 Hb(Abramov) -0.5026986E-01 Ex_ueg -0.4888259E-01 Ec_ueg -0.7206544E-02 Delta_ex -0.5776112E-01 Delta_ec 0.1508059E-01 Delta_et -0.1976202E+00 Pxc 0.6783083E+01 Qxc -0.3830163E+01 3,-1 92 3 +1 1.653802 0.490555 0.535149 Rho 0.7887814E-02 |GRAD(Rho)| 0.7059551E-14 GRAD(Rho)x -0.4944770E-14 GRAD(Rho)y -0.1967347E-14 GRAD(Rho)z -0.4638540E-14 Laplacian 0.3101647E-01 (-1/4)Del**2(Rho)) -0.7754119E-02 Diamond 0.7390287E-03 Metallicity 0.6944086E+00 Ellipticity -0.1404216E+01 Gb(Abramov) 0.6066834E-02 Vb(Abramov) -0.4379549E-02 Hb(Abramov) 0.1687285E-02 Ex_ueg -0.1159651E-02 Ec_ueg -0.2732285E-03 Delta_ex -0.1387001E-02 Delta_ec 0.4375194E-03 Delta_et -0.2923619E-02 Pxc 0.4244254E+01 Qxc -0.3170147E+01 3,+1 93 3 -1 -0.224687 -1.379233 -3.304573 Rho 0.4664387E-02 |GRAD(Rho)| 0.2781255E-16 GRAD(Rho)x -0.1967855E-16 GRAD(Rho)y -0.1236833E-16 GRAD(Rho)z 0.1527471E-16 Laplacian 0.1714399E-01 (-1/4)Del**2(Rho)) -0.4285998E-02 Diamond 0.5335720E-03 Metallicity 0.5233900E+00 Ellipticity 0.7865207E-01 Gb(Abramov) 0.3231207E-02 Vb(Abramov) -0.2176416E-02 Hb(Abramov) 0.1054791E-02 Ex_ueg -0.5755872E-03 Ec_ueg -0.1324987E-03 Delta_ex -0.1013677E-02 Delta_ec 0.8479853E-03 Delta_et -0.4384648E-02 Pxc 0.4344097E+01 Qxc -0.1195394E+01 3,-1 94 3 -1 -1.806935 2.798758 -0.571922 Rho 0.1078963E+00 |GRAD(Rho)| 0.2795196E-15 GRAD(Rho)x -0.1164298E-15 GRAD(Rho)y 0.3650712E-16 GRAD(Rho)z 0.2514807E-15 Laplacian 0.4696813E+00 (-1/4)Del**2(Rho)) -0.1174203E+00 Diamond 0.6642634E+00 Metallicity 0.3587741E+01 Ellipticity 0.1983113E-01 Gb(Abramov) 0.1484925E+00 Vb(Abramov) -0.1795647E+00 Hb(Abramov) -0.3107218E-01 Ex_ueg -0.3793680E-01 Ec_ueg -0.5805817E-02 Delta_ex -0.4696502E-01 Delta_ec 0.1354080E-01 Delta_et -0.1716208E+00 Pxc 0.6534273E+01 Qxc -0.3468409E+01 3,-1 95 3 -1 -1.973309 3.050213 0.903603 Rho 0.1162891E+00 |GRAD(Rho)| 0.1277422E-15 GRAD(Rho)x 0.1099381E-15 GRAD(Rho)y 0.6479463E-16 GRAD(Rho)z -0.5773377E-17 Laplacian 0.4805849E+00 (-1/4)Del**2(Rho)) -0.1201462E+00 Diamond 0.7390067E+00 Metallicity 0.3972600E+01 Ellipticity 0.1325961E-01 Gb(Abramov) 0.1596463E+00 Vb(Abramov) -0.1991464E+00 Hb(Abramov) -0.3950007E-01 Ex_ueg -0.4192153E-01 Ec_ueg -0.6321941E-02 Delta_ex -0.4883592E-01 Delta_ec 0.1350463E-01 Delta_et -0.1734686E+00 Pxc 0.6631117E+01 Qxc -0.3616236E+01 3,-1 96 3 +3 0.028348 -0.047531 2.324147 Rho 0.4517997E-02 |GRAD(Rho)| 0.3118939E-17 GRAD(Rho)x 0.2842308E-17 GRAD(Rho)y 0.1284021E-17 GRAD(Rho)z 0.1891258E-19 Laplacian 0.1830657E-01 (-1/4)Del**2(Rho)) -0.4576642E-02 Diamond 0.1532420E-03 Metallicity 0.4647822E+00 Ellipticity -0.3087159E+00 Gb(Abramov) 0.3405618E-02 Vb(Abramov) -0.2234595E-02 Hb(Abramov) 0.1171024E-02 Ex_ueg -0.5516281E-03 Ec_ueg -0.1262296E-03 Delta_ex -0.6595883E-03 Delta_ec 0.1602739E-03 Delta_et -0.1014227E-02 Pxc 0.4370038E+01 Qxc -0.4115382E+01 3,+3 97 3 +1 -0.273911 -0.561623 -3.066589 Rho 0.3070594E-02 |GRAD(Rho)| 0.5294618E-15 GRAD(Rho)x -0.4865745E-16 GRAD(Rho)y -0.5052109E-15 GRAD(Rho)z -0.1507455E-15 Laplacian 0.1170533E-01 (-1/4)Del**2(Rho)) -0.2926332E-02 Diamond 0.1052183E-03 Metallicity 0.3818859E+00 Ellipticity -0.1346225E+01 Gb(Abramov) 0.2137142E-02 Vb(Abramov) -0.1347952E-02 Hb(Abramov) 0.7891899E-03 Ex_ueg -0.3296211E-03 Ec_ueg -0.6485158E-04 Delta_ex -0.4663996E-03 Delta_ec 0.2522029E-03 Delta_et -0.1230542E-02 Pxc 0.5082699E+01 Qxc -0.1849303E+01 3,+1 98 3 -1 -2.879395 0.569948 -1.794863 Rho 0.1527754E+00 |GRAD(Rho)| 0.3478863E-14 GRAD(Rho)x 0.4040415E-15 GRAD(Rho)y -0.2452357E-14 GRAD(Rho)z -0.2434169E-14 Laplacian 0.6467888E+00 (-1/4)Del**2(Rho)) -0.1616972E+00 Diamond 0.1334812E+01 Metallicity 0.4651641E+01 Ellipticity 0.5057934E-02 Gb(Abramov) 0.2331577E+00 Vb(Abramov) -0.3046182E+00 Hb(Abramov) -0.7146049E-01 Ex_ueg -0.6031928E-01 Ec_ueg -0.8621413E-02 Delta_ex -0.6972368E-01 Delta_ec 0.1624746E-01 Delta_et -0.2166227E+00 Pxc 0.6996449E+01 Qxc -0.4291358E+01 3,-1 99 3 +1 0.534316 0.477984 1.653473 Rho 0.8356908E-02 |GRAD(Rho)| 0.5779583E-17 GRAD(Rho)x -0.3423103E-17 GRAD(Rho)y 0.1047356E-17 GRAD(Rho)z -0.4537509E-17 Laplacian 0.3289785E-01 (-1/4)Del**2(Rho)) -0.8224463E-02 Diamond 0.8528732E-03 Metallicity 0.7208668E+00 Ellipticity -0.1432406E+01 Gb(Abramov) 0.6471099E-02 Vb(Abramov) -0.4717735E-02 Hb(Abramov) 0.1753364E-02 Ex_ueg -0.1252504E-02 Ec_ueg -0.2941167E-03 Delta_ex -0.1494958E-02 Delta_ec 0.4681238E-03 Delta_et -0.3171821E-02 Pxc 0.4258529E+01 Qxc -0.3193509E+01 3,+1 100 3 +1 -1.362984 1.109634 2.211993 Rho 0.2748088E-01 |GRAD(Rho)| 0.3223126E-13 GRAD(Rho)x -0.2422242E-13 GRAD(Rho)y -0.1545940E-13 GRAD(Rho)z 0.1459914E-13 Laplacian 0.1082743E+00 (-1/4)Del**2(Rho)) -0.2706858E-01 Diamond 0.1598330E-01 Metallicity 0.1592717E+01 Ellipticity -0.3920518E+01 Gb(Abramov) 0.2523116E-01 Vb(Abramov) -0.2339373E-01 Hb(Abramov) 0.1837427E-02 Ex_ueg -0.6124810E-02 Ec_ueg -0.1214416E-02 Delta_ex -0.6892731E-02 Delta_ec 0.1811940E-02 Delta_et -0.1636993E-01 Pxc 0.5043420E+01 Qxc -0.3804062E+01 3,+1 101 3 +1 -0.211285 2.954456 0.172906 Rho 0.5434845E-02 |GRAD(Rho)| 0.2395264E-15 GRAD(Rho)x -0.1716963E-15 GRAD(Rho)y 0.2913541E-16 GRAD(Rho)z 0.1644519E-15 Laplacian 0.2186641E-01 (-1/4)Del**2(Rho)) -0.5466603E-02 Diamond 0.5008096E-03 Metallicity 0.5294370E+00 Ellipticity -0.2104059E+01 Gb(Abramov) 0.4126772E-02 Vb(Abramov) -0.2786942E-02 Hb(Abramov) 0.1339831E-02 Ex_ueg -0.7057236E-03 Ec_ueg -0.1656737E-03 Delta_ex -0.1047072E-02 Delta_ec 0.5852729E-03 Delta_et -0.3300397E-02 Pxc 0.4259720E+01 Qxc -0.1789033E+01 3,+1 102 3 +3 -0.091216 -2.444091 -0.133894 Rho 0.3642744E-02 |GRAD(Rho)| 0.3090359E-15 GRAD(Rho)x 0.8725741E-16 GRAD(Rho)y 0.2872818E-15 GRAD(Rho)z 0.7320188E-16 Laplacian 0.1411117E-01 (-1/4)Del**2(Rho)) -0.3527791E-02 Diamond 0.9259722E-04 Metallicity 0.4211448E+00 Ellipticity -0.2855929E+00 Gb(Abramov) 0.2599479E-02 Vb(Abramov) -0.1671167E-02 Hb(Abramov) 0.9283119E-03 Ex_ueg -0.4139584E-03 Ec_ueg -0.8898045E-04 Delta_ex -0.4875102E-03 Delta_ec 0.1346265E-03 Delta_et -0.7927019E-03 Pxc 0.4652239E+01 Qxc -0.3621206E+01 3,+3 103 3 +1 -0.548949 -0.578902 1.688929 Rho 0.8382226E-02 |GRAD(Rho)| 0.8930946E-13 GRAD(Rho)x 0.2929809E-13 GRAD(Rho)y 0.2972768E-13 GRAD(Rho)z -0.7895611E-13 Laplacian 0.3175345E-01 (-1/4)Del**2(Rho)) -0.7938362E-02 Diamond 0.8060740E-03 Metallicity 0.7506218E+00 Ellipticity -0.1446748E+01 Gb(Abramov) 0.6285359E-02 Vb(Abramov) -0.4632357E-02 Hb(Abramov) 0.1653003E-02 Ex_ueg -0.1257566E-02 Ec_ueg -0.2952469E-03 Delta_ex -0.1434482E-02 Delta_ec 0.4347493E-03 Delta_et -0.2961829E-02 Pxc 0.4259372E+01 Qxc -0.3299561E+01 3,+1 104 3 -1 1.772188 0.501125 -1.720012 Rho 0.4088413E-01 |GRAD(Rho)| 0.7893828E-16 GRAD(Rho)x 0.5658413E-16 GRAD(Rho)y -0.2206531E-16 GRAD(Rho)z -0.5042429E-16 Laplacian 0.1617824E+00 (-1/4)Del**2(Rho)) -0.4044559E-01 Diamond 0.6100367E-01 Metallicity 0.2066680E+01 Ellipticity 0.2962305E-01 Gb(Abramov) 0.4089507E-01 Vb(Abramov) -0.4134456E-01 Hb(Abramov) -0.4494848E-03 Ex_ueg -0.1040219E-01 Ec_ueg -0.1917553E-02 Delta_ex -0.1258586E-01 Delta_ec 0.4689036E-02 Delta_et -0.4685807E-01 Pxc 0.5424720E+01 Qxc -0.2684104E+01 3,-1 105 3 +1 -0.589452 1.640711 -0.524769 Rho 0.8548261E-02 |GRAD(Rho)| 0.1307985E-13 GRAD(Rho)x 0.9081179E-14 GRAD(Rho)y -0.8856879E-14 GRAD(Rho)z 0.3189107E-14 Laplacian 0.3238400E-01 (-1/4)Del**2(Rho)) -0.8095999E-02 Diamond 0.8464879E-03 Metallicity 0.7604646E+00 Ellipticity -0.1457802E+01 Gb(Abramov) 0.6423453E-02 Vb(Abramov) -0.4750907E-02 Hb(Abramov) 0.1672546E-02 Ex_ueg -0.1290889E-02 Ec_ueg -0.3026658E-03 Delta_ex -0.1471241E-02 Delta_ec 0.4451109E-03 Delta_et -0.3046211E-02 Pxc 0.4265063E+01 Qxc -0.3305336E+01 3,+1 106 3 -1 -0.861744 2.002035 3.039568 Rho 0.1569819E+00 |GRAD(Rho)| 0.3490552E-15 GRAD(Rho)x 0.2877202E-15 GRAD(Rho)y -0.1387237E-15 GRAD(Rho)z 0.1407565E-15 Laplacian 0.6144670E+00 (-1/4)Del**2(Rho)) -0.1536168E+00 Diamond 0.1314654E+01 Metallicity 0.5123075E+01 Ellipticity 0.5510170E-01 Gb(Abramov) 0.2335762E+00 Vb(Abramov) -0.3135356E+00 Hb(Abramov) -0.7995943E-01 Ex_ueg -0.6254385E-01 Ec_ueg -0.8891946E-02 Delta_ex -0.6672767E-01 Delta_ec 0.1540573E-01 Delta_et -0.2063250E+00 Pxc 0.7033764E+01 Qxc -0.4331354E+01 3,-1 107 3 +3 -0.028741 2.290202 0.007070 Rho 0.4572106E-02 |GRAD(Rho)| 0.3406485E-16 GRAD(Rho)x 0.2660825E-16 GRAD(Rho)y 0.7206289E-17 GRAD(Rho)z 0.2001212E-16 Laplacian 0.1850190E-01 (-1/4)Del**2(Rho)) -0.4625475E-02 Diamond 0.1516396E-03 Metallicity 0.4690913E+00 Ellipticity -0.3173783E+00 Gb(Abramov) 0.3445278E-02 Vb(Abramov) -0.2265082E-02 Hb(Abramov) 0.1180197E-02 Ex_ueg -0.5604543E-03 Ec_ueg -0.1285455E-03 Delta_ex -0.6626426E-03 Delta_ec 0.1512217E-03 Delta_et -0.9754277E-03 Pxc 0.4359967E+01 Qxc -0.4381928E+01 3,+3 108 3 -1 -0.602568 -1.793604 2.835829 Rho 0.1158513E+00 |GRAD(Rho)| 0.1103196E-15 GRAD(Rho)x -0.7620586E-16 GRAD(Rho)y 0.7871308E-16 GRAD(Rho)z 0.1293589E-16 Laplacian 0.4988670E+00 (-1/4)Del**2(Rho)) -0.1247168E+00 Diamond 0.7663171E+00 Metallicity 0.3803032E+01 Ellipticity 0.2027858E-01 Gb(Abramov) 0.1621948E+00 Vb(Abramov) -0.1996729E+00 Hb(Abramov) -0.3747805E-01 Ex_ueg -0.4171123E-01 Ec_ueg -0.6294892E-02 Delta_ex -0.5068630E-01 Delta_ec 0.1409740E-01 Delta_et -0.1810557E+00 Pxc 0.6626203E+01 Qxc -0.3595437E+01 3,-1 109 3 +1 -0.306599 -1.254838 -2.605015 Rho 0.3504404E-02 |GRAD(Rho)| 0.3622260E-16 GRAD(Rho)x -0.3595270E-16 GRAD(Rho)y -0.1695481E-17 GRAD(Rho)z 0.4074966E-17 Laplacian 0.1364828E-01 (-1/4)Del**2(Rho)) -0.3412070E-02 Diamond 0.1357498E-03 Metallicity 0.4082180E+00 Ellipticity -0.1325191E+01 Gb(Abramov) 0.2506858E-02 Vb(Abramov) -0.1601646E-02 Hb(Abramov) 0.9052120E-03 Ex_ueg -0.3931310E-03 Ec_ueg -0.8313011E-04 Delta_ex -0.5427115E-03 Delta_ec 0.2653786E-03 Delta_et -0.1362896E-02 Pxc 0.4729105E+01 Qxc -0.2045046E+01 3,+1 110 3 +3 0.954264 -1.175269 -1.228706 Rho 0.4249744E-02 |GRAD(Rho)| 0.1239197E-16 GRAD(Rho)x 0.1177001E-16 GRAD(Rho)y 0.5779941E-18 GRAD(Rho)z 0.3833244E-17 Laplacian 0.1654448E-01 (-1/4)Del**2(Rho)) -0.4136121E-02 Diamond 0.1334288E-03 Metallicity 0.4644061E+00 Ellipticity -0.6194603E+00 Gb(Abramov) 0.3077554E-02 Vb(Abramov) -0.2018987E-02 Hb(Abramov) 0.1058567E-02 Ex_ueg -0.5083960E-03 Ec_ueg -0.1147705E-03 Delta_ex -0.5937128E-03 Delta_ec 0.1571557E-03 Delta_et -0.9620033E-03 Pxc 0.4429675E+01 Qxc -0.3777864E+01 3,+3 111 3 +3 -0.279142 -0.605725 -2.739809 Rho 0.2992193E-02 |GRAD(Rho)| 0.1418789E-14 GRAD(Rho)x -0.1234360E-14 GRAD(Rho)y -0.4327433E-15 GRAD(Rho)z -0.5495922E-15 Laplacian 0.1169516E-01 (-1/4)Del**2(Rho)) -0.2923790E-02 Diamond 0.7815374E-04 Metallicity 0.3660914E+00 Ellipticity -0.4281716E+00 Gb(Abramov) 0.2127589E-02 Vb(Abramov) -0.1331388E-02 Hb(Abramov) 0.7962010E-03 Ex_ueg -0.3184475E-03 Ec_ueg -0.6155909E-04 Delta_ex -0.4204960E-03 Delta_ec 0.1751102E-03 Delta_et -0.8946147E-03 Pxc 0.5173037E+01 Qxc -0.2401322E+01 3,+3 112 3 -1 -0.586172 -0.503353 -0.483963 Rho 0.1913327E+00 |GRAD(Rho)| 0.7964176E-15 GRAD(Rho)x 0.4961309E-15 GRAD(Rho)y 0.3261280E-15 GRAD(Rho)z 0.5308254E-15 Laplacian 0.5243156E+00 (-1/4)Del**2(Rho)) -0.1310789E+00 Diamond 0.1428769E+01 Metallicity 0.8349663E+01 Ellipticity 0.1967325E-01 Gb(Abramov) 0.2697967E+00 Vb(Abramov) -0.4085145E+00 Hb(Abramov) -0.1387178E+00 Ex_ueg -0.8142740E-01 Ec_ueg -0.1114010E-01 Delta_ex -0.5987470E-01 Delta_ec 0.1256367E-01 Delta_et -0.1722922E+00 Pxc 0.7309395E+01 Qxc -0.4765703E+01 3,-1 113 3 -1 -0.834355 3.028736 2.036158 Rho 0.1534821E+00 |GRAD(Rho)| 0.5867032E-14 GRAD(Rho)x 0.8549747E-15 GRAD(Rho)y 0.4946469E-14 GRAD(Rho)z 0.3037026E-14 Laplacian 0.5986401E+00 (-1/4)Del**2(Rho)) -0.1496600E+00 Diamond 0.1245191E+01 Metallicity 0.5064579E+01 Ellipticity 0.2670226E-01 Gb(Abramov) 0.2261008E+00 Vb(Abramov) -0.3025417E+00 Hb(Abramov) -0.7644083E-01 Ex_ueg -0.6069159E-01 Ec_ueg -0.8666787E-02 Delta_ex -0.6463462E-01 Delta_ec 0.1507026E-01 Delta_et -0.2011709E+00 Pxc 0.7002779E+01 Qxc -0.4288886E+01 3,-1 114 3 +1 0.162245 -0.154598 2.954505 Rho 0.5289205E-02 |GRAD(Rho)| 0.3756688E-15 GRAD(Rho)x 0.2675280E-15 GRAD(Rho)y -0.2603614E-15 GRAD(Rho)z 0.4204492E-16 Laplacian 0.2127808E-01 (-1/4)Del**2(Rho)) -0.5319519E-02 Diamond 0.4959424E-03 Metallicity 0.5199938E+00 Ellipticity -0.2433610E+01 Gb(Abramov) 0.4007366E-02 Vb(Abramov) -0.2695212E-02 Hb(Abramov) 0.1312154E-02 Ex_ueg -0.6806214E-03 Ec_ueg -0.1593796E-03 Delta_ex -0.1035714E-02 Delta_ec 0.6096856E-03 Delta_et -0.3391696E-02 Pxc 0.4270442E+01 Qxc -0.1698768E+01 3,+1 115 3 +1 0.429446 -0.843054 -1.768153 Rho 0.5377621E-02 |GRAD(Rho)| 0.8646176E-17 GRAD(Rho)x 0.2124340E-17 GRAD(Rho)y 0.6851157E-17 GRAD(Rho)z 0.4827545E-17 Laplacian 0.2087842E-01 (-1/4)Del**2(Rho)) -0.5219604E-02 Diamond 0.4554460E-03 Metallicity 0.5447942E+00 Ellipticity -0.2079898E+01 Gb(Abramov) 0.3953671E-02 Vb(Abramov) -0.2687738E-02 Hb(Abramov) 0.1265933E-02 Ex_ueg -0.6958334E-03 Ec_ueg -0.1631994E-03 Delta_ex -0.9841291E-03 Delta_ec 0.5348048E-03 Delta_et -0.3017748E-02 Pxc 0.4263701E+01 Qxc -0.1840165E+01 3,+1 116 3 +1 2.170532 1.188546 -1.230652 Rho 0.2613410E-01 |GRAD(Rho)| 0.4410718E-16 GRAD(Rho)x 0.3560155E-16 GRAD(Rho)y 0.1842740E-16 GRAD(Rho)z -0.1839575E-16 Laplacian 0.1042933E+00 (-1/4)Del**2(Rho)) -0.2607332E-01 Diamond 0.1567426E-01 Metallicity 0.1520674E+01 Ellipticity -0.6649745E+01 Gb(Abramov) 0.2399038E-01 Vb(Abramov) -0.2190745E-01 Hb(Abramov) 0.2082935E-02 Ex_ueg -0.5727897E-02 Ec_ueg -0.1145982E-02 Delta_ex -0.6684153E-02 Delta_ec 0.1984465E-02 Delta_et -0.1766477E-01 Pxc 0.4998242E+01 Qxc -0.3368240E+01 3,+1 117 3 -1 -0.515470 0.436982 0.472148 Rho 0.1779790E+00 |GRAD(Rho)| 0.2430099E-15 GRAD(Rho)x -0.8326673E-16 GRAD(Rho)y 0.1838807E-15 GRAD(Rho)z -0.1353084E-15 Laplacian 0.4687880E+00 (-1/4)Del**2(Rho)) -0.1171970E+00 Diamond 0.1188394E+01 Metallicity 0.8277858E+01 Ellipticity 0.7392914E-02 Gb(Abramov) 0.2398214E+00 Vb(Abramov) -0.3624457E+00 Hb(Abramov) -0.1226244E+00 Ex_ueg -0.7393954E-01 Ec_ueg -0.1025803E-01 Delta_ex -0.5270258E-01 Delta_ec 0.1169478E-01 Delta_et -0.1599139E+00 Pxc 0.7207967E+01 Qxc -0.4506504E+01 3,-1 118 3 +1 1.060107 -1.394164 2.188362 Rho 0.2495340E-01 |GRAD(Rho)| 0.4837956E-13 GRAD(Rho)x -0.2626608E-13 GRAD(Rho)y -0.3582534E-13 GRAD(Rho)z 0.1916297E-13 Laplacian 0.9420656E-01 (-1/4)Del**2(Rho)) -0.2355164E-01 Diamond 0.1140969E-01 Metallicity 0.1558649E+01 Ellipticity -0.2924112E+01 Gb(Abramov) 0.2181922E-01 Vb(Abramov) -0.2008679E-01 Hb(Abramov) 0.1732424E-02 Ex_ueg -0.5385484E-02 Ec_ueg -0.1086368E-02 Delta_ex -0.5760421E-02 Delta_ec 0.1427575E-02 Delta_et -0.1263562E-01 Pxc 0.4957328E+01 Qxc -0.4035109E+01 3,+1 119 3 -1 0.041634 -3.275343 -1.327374 Rho 0.2437334E-01 |GRAD(Rho)| 0.3180078E-16 GRAD(Rho)x -0.3095133E-16 GRAD(Rho)y -0.2426750E-17 GRAD(Rho)z 0.6885903E-17 Laplacian 0.8104906E-01 (-1/4)Del**2(Rho)) -0.2026226E-01 Diamond 0.2376786E-01 Metallicity 0.1742035E+01 Ellipticity 0.3395046E-02 Gb(Abramov) 0.1939110E-01 Vb(Abramov) -0.1851995E-01 Hb(Abramov) 0.8711595E-03 Ex_ueg -0.5219213E-02 Ec_ueg -0.1057215E-02 Delta_ex -0.6526972E-02 Delta_ec 0.4089515E-02 Delta_et -0.3519755E-01 Pxc 0.4936758E+01 Qxc -0.1596026E+01 3,-1 120 3 -1 -0.623591 -2.836307 1.855222 Rho 0.1334634E+00 |GRAD(Rho)| 0.2112460E-11 GRAD(Rho)x -0.1412843E-11 GRAD(Rho)y -0.5251006E-12 GRAD(Rho)z -0.1480078E-11 Laplacian 0.5670832E+00 (-1/4)Del**2(Rho)) -0.1417708E+00 Diamond 0.1022283E+01 Metallicity 0.4235488E+01 Ellipticity 0.1431622E-01 Gb(Abramov) 0.1945920E+00 Vb(Abramov) -0.2474131E+00 Hb(Abramov) -0.5282116E-01 Ex_ueg -0.5037342E-01 Ec_ueg -0.7393494E-02 Delta_ex -0.5946289E-01 Delta_ec 0.1529398E-01 Delta_et -0.2010328E+00 Pxc 0.6813208E+01 Qxc -0.3887993E+01 3,-1 121 3 -1 -0.587397 1.702629 -2.785712 Rho 0.1531935E+00 |GRAD(Rho)| 0.3312655E-15 GRAD(Rho)x 0.1825254E-15 GRAD(Rho)y 0.1919580E-15 GRAD(Rho)z 0.1989308E-15 Laplacian 0.6411540E+00 (-1/4)Del**2(Rho)) -0.1602885E+00 Diamond 0.1321381E+01 Metallicity 0.4713945E+01 Ellipticity 0.1800323E-01 Gb(Abramov) 0.2327909E+00 Vb(Abramov) -0.3052932E+00 Hb(Abramov) -0.7250237E-01 Ex_ueg -0.6053948E-01 Ec_ueg -0.8648254E-02 Delta_ex -0.6910329E-01 Delta_ec 0.1598851E-01 Delta_et -0.2129941E+00 Pxc 0.7000197E+01 Qxc -0.4322059E+01 3,-1 122 3 -1 -0.548036 1.720486 1.761367 Rho 0.4727136E-01 |GRAD(Rho)| 0.3251862E-15 GRAD(Rho)x -0.1714458E-15 GRAD(Rho)y -0.1042994E-15 GRAD(Rho)z 0.2558789E-15 Laplacian 0.1906491E+00 (-1/4)Del**2(Rho)) -0.4766227E-01 Diamond 0.8877499E-01 Metallicity 0.2233788E+01 Ellipticity 0.1590402E-01 Gb(Abramov) 0.4951941E-01 Vb(Abramov) -0.5137656E-01 Hb(Abramov) -0.1857142E-02 Ex_ueg -0.1262358E-01 Ec_ueg -0.2264609E-02 Delta_ex -0.1543724E-01 Delta_ec 0.5618984E-02 Delta_et -0.5837022E-01 Pxc 0.5574286E+01 Qxc -0.2747336E+01 3,-1 123 3 +1 -0.139980 -2.265845 -1.127309 Rho 0.6479420E-02 |GRAD(Rho)| 0.2505231E-14 GRAD(Rho)x -0.8234681E-15 GRAD(Rho)y -0.2307896E-14 GRAD(Rho)z -0.5212433E-15 Laplacian 0.2492356E-01 (-1/4)Del**2(Rho)) -0.6230891E-02 Diamond 0.6516108E-03 Metallicity 0.6226299E+00 Ellipticity -0.1975316E+01 Gb(Abramov) 0.4800517E-02 Vb(Abramov) -0.3370143E-02 Hb(Abramov) 0.1430374E-02 Ex_ueg -0.8921405E-03 Ec_ueg -0.2111235E-03 Delta_ex -0.1190860E-02 Delta_ec 0.5828337E-03 Delta_et -0.3499383E-02 Pxc 0.4225681E+01 Qxc -0.2043225E+01 3,+1 124 3 -1 0.129826 -1.990081 -1.035117 Rho 0.6767565E-02 |GRAD(Rho)| 0.1879760E-16 GRAD(Rho)x -0.1105908E-16 GRAD(Rho)y 0.1512284E-16 GRAD(Rho)z 0.1531711E-17 Laplacian 0.2553597E-01 (-1/4)Del**2(Rho)) -0.6383992E-02 Diamond 0.1005552E-02 Metallicity 0.6534036E+00 Ellipticity 0.9837729E+00 Gb(Abramov) 0.4951216E-02 Vb(Abramov) -0.3518439E-02 Hb(Abramov) 0.1432777E-02 Ex_ueg -0.9454276E-03 Ec_ueg -0.2237538E-03 Delta_ex -0.1416387E-02 Delta_ec 0.9266048E-03 Delta_et -0.5462314E-02 Pxc 0.4225303E+01 Qxc -0.1528577E+01 3,-1 125 3 +1 0.340758 -1.552440 -1.633346 Rho 0.5116721E-02 |GRAD(Rho)| 0.2083378E-17 GRAD(Rho)x -0.1146549E-18 GRAD(Rho)y -0.3056001E-18 GRAD(Rho)z 0.2057651E-17 Laplacian 0.2003392E-01 (-1/4)Del**2(Rho)) -0.5008480E-02 Diamond 0.3907646E-03 Metallicity 0.5225967E+00 Ellipticity -0.1787511E+01 Gb(Abramov) 0.3775223E-02 Vb(Abramov) -0.2541965E-02 Hb(Abramov) 0.1233258E-02 Ex_ueg -0.6511894E-03 Ec_ueg -0.1519392E-03 Delta_ex -0.9184457E-03 Delta_ec 0.4843192E-03 Delta_et -0.2707635E-02 Pxc 0.4285855E+01 Qxc -0.1896364E+01 3,+1 126 3 +1 0.366842 -1.789898 -0.754654 Rho 0.6481577E-02 |GRAD(Rho)| 0.5928152E-17 GRAD(Rho)x 0.4017532E-17 GRAD(Rho)y -0.3400859E-17 GRAD(Rho)z 0.2727009E-17 Laplacian 0.2447641E-01 (-1/4)Del**2(Rho)) -0.6119102E-02 Diamond 0.6339959E-03 Metallicity 0.6343564E+00 Ellipticity -0.2071506E+01 Gb(Abramov) 0.4726350E-02 Vb(Abramov) -0.3333598E-02 Hb(Abramov) 0.1392752E-02 Ex_ueg -0.8925365E-03 Ec_ueg -0.2112179E-03 Delta_ex -0.1165499E-02 Delta_ec 0.5650910E-03 Delta_et -0.3396996E-02 Pxc 0.4225667E+01 Qxc -0.2062499E+01 3,+1 127 3 -1 0.083457 3.182483 3.248501 Rho 0.2384631E+00 |GRAD(Rho)| 0.1113200E-10 GRAD(Rho)x 0.2518460E-11 GRAD(Rho)y 0.7559773E-11 GRAD(Rho)z 0.7773582E-11 Laplacian 0.8771612E+00 (-1/4)Del**2(Rho)) -0.2192903E+00 Diamond 0.3070731E+01 Metallicity 0.7203921E+01 Ellipticity 0.3512437E-02 Gb(Abramov) 0.4094852E+00 Vb(Abramov) -0.5996801E+00 Hb(Abramov) -0.1901949E+00 Ex_ueg -0.1092144E+00 Ec_ueg -0.1433293E-01 Delta_ex -0.1057603E+00 Delta_ec 0.1934087E-01 Delta_et -0.2675239E+00 Pxc 0.7619821E+01 Qxc -0.5468226E+01 3,-1 128 3 -1 -0.066112 3.072043 -3.244802 Rho 0.2381288E+00 |GRAD(Rho)| 0.1014158E-14 GRAD(Rho)x 0.1830540E-15 GRAD(Rho)y -0.9372928E-15 GRAD(Rho)z 0.3413068E-15 Laplacian 0.8814548E+00 (-1/4)Del**2(Rho)) -0.2203637E+00 Diamond 0.3075695E+01 Metallicity 0.7152092E+01 Ellipticity 0.1913562E-02 Gb(Abramov) 0.4095860E+00 Vb(Abramov) -0.5988083E+00 Hb(Abramov) -0.1892223E+00 Ex_ueg -0.1090103E+00 Ec_ueg -0.1430986E-01 Delta_ex -0.1062129E+00 Delta_ec 0.1939692E-01 Delta_et -0.2680814E+00 Pxc 0.7617848E+01 Qxc -0.5475759E+01 3,-1 129 3 +3 1.081342 1.089549 1.070157 Rho 0.4767077E-02 |GRAD(Rho)| 0.1616027E-11 GRAD(Rho)x -0.1054169E-11 GRAD(Rho)y 0.5468138E-12 GRAD(Rho)z -0.1096022E-11 Laplacian 0.1881006E-01 (-1/4)Del**2(Rho)) -0.4702516E-02 Diamond 0.1299017E-03 Metallicity 0.4946636E+00 Ellipticity -0.2268697E+00 Gb(Abramov) 0.3522704E-02 Vb(Abramov) -0.2342893E-02 Hb(Abramov) 0.1179811E-02 Ex_ueg -0.5925450E-03 Ec_ueg -0.1369030E-03 Delta_ex -0.6481168E-03 Delta_ec 0.9496296E-04 Delta_et -0.7104692E-03 Pxc 0.4328210E+01 Qxc -0.6824943E+01 3,+3 130 3 -1 0.500912 1.648352 -1.734510 Rho 0.5224614E-01 |GRAD(Rho)| 0.3743651E-16 GRAD(Rho)x -0.1829083E-16 GRAD(Rho)y -0.3265481E-16 GRAD(Rho)z 0.7750351E-18 Laplacian 0.2091518E+00 (-1/4)Del**2(Rho)) -0.5228794E-01 Diamond 0.1118712E+00 Metallicity 0.2405703E+01 Ellipticity 0.1220554E-01 Gb(Abramov) 0.5582350E-01 Vb(Abramov) -0.5935907E-01 Hb(Abramov) -0.3535564E-02 Ex_ueg -0.1442527E-01 Ec_ueg -0.2539404E-02 Delta_ex -0.1737999E-01 Delta_ec 0.6180457E-02 Delta_et -0.6590514E-01 Pxc 0.5680575E+01 Qxc -0.2812089E+01 3,-1 131 3 -1 0.414219 0.417298 -0.486542 Rho 0.1783871E+00 |GRAD(Rho)| 0.1286037E-15 GRAD(Rho)x -0.2428613E-16 GRAD(Rho)y -0.7632783E-16 GRAD(Rho)z 0.1006140E-15 Laplacian 0.4685802E+00 (-1/4)Del**2(Rho)) -0.1171451E+00 Diamond 0.1196891E+01 Metallicity 0.8313201E+01 Ellipticity 0.4176133E-02 Gb(Abramov) 0.2404051E+00 Vb(Abramov) -0.3636651E+00 Hb(Abramov) -0.1232600E+00 Ex_ueg -0.7416568E-01 Ec_ueg -0.1028484E-01 Delta_ex -0.5275488E-01 Delta_ec 0.1176387E-01 Delta_et -0.1611340E+00 Pxc 0.7211168E+01 Qxc -0.4484485E+01 3,-1 132 3 +1 1.685470 -0.546415 -0.525521 Rho 0.8147683E-02 |GRAD(Rho)| 0.6429970E-16 GRAD(Rho)x -0.4219607E-16 GRAD(Rho)y 0.3047287E-16 GRAD(Rho)z 0.3775378E-16 Laplacian 0.3232385E-01 (-1/4)Del**2(Rho)) -0.8080963E-02 Diamond 0.7960921E-03 Metallicity 0.7033103E+00 Ellipticity -0.1395969E+01 Gb(Abramov) 0.6334546E-02 Vb(Abramov) -0.4588129E-02 Hb(Abramov) 0.1746417E-02 Ex_ueg -0.1210869E-02 Ec_ueg -0.2847879E-03 Delta_ex -0.1453013E-02 Delta_ec 0.4483205E-03 Delta_et -0.3027291E-02 Pxc 0.4251829E+01 Qxc -0.3241013E+01 3,+1 133 3 -1 0.875944 -3.023773 2.022800 Rho 0.1095502E+00 |GRAD(Rho)| 0.1829543E-12 GRAD(Rho)x 0.1367052E-12 GRAD(Rho)y -0.7616574E-13 GRAD(Rho)z -0.9477735E-13 Laplacian 0.4509919E+00 (-1/4)Del**2(Rho)) -0.1127480E+00 Diamond 0.6463849E+00 Metallicity 0.3832358E+01 Ellipticity 0.1323851E-01 Gb(Abramov) 0.1471804E+00 Vb(Abramov) -0.1816129E+00 Hb(Abramov) -0.3443245E-01 Ex_ueg -0.3871409E-01 Ec_ueg -0.5907111E-02 Delta_ex -0.4520695E-01 Delta_ec 0.1287061E-01 Delta_et -0.1634957E+00 Pxc 0.6553811E+01 Qxc -0.3512417E+01 3,-1 134 3 -1 0.861162 1.885891 -2.989754 Rho 0.1254858E+00 |GRAD(Rho)| 0.7924099E-13 GRAD(Rho)x -0.7580583E-13 GRAD(Rho)y -0.2287715E-13 GRAD(Rho)z 0.3040963E-14 Laplacian 0.4954482E+00 (-1/4)Del**2(Rho)) -0.1238621E+00 Diamond 0.8090077E+00 Metallicity 0.4374610E+01 Ellipticity 0.3673886E-01 Gb(Abramov) 0.1728827E+00 Vb(Abramov) -0.2219034E+00 Hb(Abramov) -0.4902068E-01 Ex_ueg -0.4639929E-01 Ec_ueg -0.6893258E-02 Delta_ex -0.5093358E-01 Delta_ec 0.1309725E-01 Delta_et -0.1695813E+00 Pxc 0.6731111E+01 Qxc -0.3888876E+01 3,-1 135 3 -1 0.560351 1.808007 2.772816 Rho 0.1463544E+00 |GRAD(Rho)| 0.1647096E-11 GRAD(Rho)x 0.1110820E-11 GRAD(Rho)y -0.1182818E-11 GRAD(Rho)z 0.2827470E-12 Laplacian 0.6195126E+00 (-1/4)Del**2(Rho)) -0.1548782E+00 Diamond 0.1213749E+01 Metallicity 0.4521048E+01 Ellipticity 0.1681885E-01 Gb(Abramov) 0.2199540E+00 Vb(Abramov) -0.2850299E+00 Hb(Abramov) -0.6507589E-01 Ex_ueg -0.5696297E-01 Ec_ueg -0.8210551E-02 Delta_ex -0.6607645E-01 Delta_ec 0.1572013E-01 Delta_et -0.2083301E+00 Pxc 0.6937777E+01 Qxc -0.4203303E+01 3,-1 136 3 -1 0.835710 2.909890 -2.014921 Rho 0.1307871E+00 |GRAD(Rho)| 0.2487637E-15 GRAD(Rho)x 0.2669848E-16 GRAD(Rho)y 0.1580360E-15 GRAD(Rho)z -0.1902504E-15 Laplacian 0.5117641E+00 (-1/4)Del**2(Rho)) -0.1279410E+00 Diamond 0.8819477E+00 Metallicity 0.4537517E+01 Ellipticity 0.3316272E-01 Gb(Abramov) 0.1820498E+00 Vb(Abramov) -0.2361586E+00 Hb(Abramov) -0.5410876E-01 Ex_ueg -0.4903111E-01 Ec_ueg -0.7225206E-02 Delta_ex -0.5318175E-01 Delta_ec 0.1347482E-01 Delta_et -0.1758074E+00 Pxc 0.6786119E+01 Qxc -0.3946750E+01 3,-1 137 3 +1 1.372264 1.032858 -2.157911 Rho 0.2859084E-01 |GRAD(Rho)| 0.3642390E-16 GRAD(Rho)x -0.8458321E-17 GRAD(Rho)y -0.5707373E-17 GRAD(Rho)z 0.3496546E-16 Laplacian 0.1150406E+00 (-1/4)Del**2(Rho)) -0.2876016E-01 Diamond 0.1879655E-01 Metallicity 0.1601302E+01 Ellipticity -0.5376487E+01 Gb(Abramov) 0.2684905E-01 Vb(Abramov) -0.2493795E-01 Hb(Abramov) 0.1911101E-02 Ex_ueg -0.6456852E-02 Ec_ueg -0.1271153E-02 Delta_ex -0.7480336E-02 Delta_ec 0.2064916E-02 Delta_et -0.1881405E-01 Pxc 0.5079526E+01 Qxc -0.3622587E+01 3,+1 138 3 -1 0.538058 2.790375 1.816294 Rho 0.1252343E+00 |GRAD(Rho)| 0.1980979E-09 GRAD(Rho)x 0.1256721E-09 GRAD(Rho)y 0.4658696E-10 GRAD(Rho)z -0.1458731E-09 Laplacian 0.5195207E+00 (-1/4)Del**2(Rho)) -0.1298802E+00 Diamond 0.8517982E+00 Metallicity 0.4157978E+01 Ellipticity 0.1136945E-01 Gb(Abramov) 0.1765933E+00 Vb(Abramov) -0.2233064E+00 Hb(Abramov) -0.4671310E-01 Ex_ueg -0.4627530E-01 Ec_ueg -0.6877553E-02 Delta_ex -0.5345262E-01 Delta_ec 0.1386516E-01 Delta_et -0.1796844E+00 Pxc 0.6728455E+01 Qxc -0.3855174E+01 3,-1 139 3 -1 0.493599 -1.761641 1.723253 Rho 0.4360763E-01 |GRAD(Rho)| 0.1591951E-15 GRAD(Rho)x 0.1497554E-16 GRAD(Rho)y -0.6461506E-16 GRAD(Rho)z 0.1447194E-15 Laplacian 0.1851739E+00 (-1/4)Del**2(Rho)) -0.4629347E-01 Diamond 0.8348328E-01 Metallicity 0.2010501E+01 Ellipticity 0.1329115E-01 Gb(Abramov) 0.4637450E-01 Vb(Abramov) -0.4645552E-01 Hb(Abramov) -0.8102005E-04 Ex_ueg -0.1133622E-01 Ec_ueg -0.2064700E-02 Delta_ex -0.1501532E-01 Delta_ec 0.6034822E-02 Delta_et -0.6147013E-01 Pxc 0.5490495E+01 Qxc -0.2488114E+01 3,-1 140 3 -1 0.855699 -1.970793 3.036272 Rho 0.1027006E+00 |GRAD(Rho)| 0.7747798E-14 GRAD(Rho)x 0.3223828E-14 GRAD(Rho)y 0.6328149E-14 GRAD(Rho)z -0.3096746E-14 Laplacian 0.4282478E+00 (-1/4)Del**2(Rho)) -0.1070620E+00 Diamond 0.5688182E+00 Metallicity 0.3624154E+01 Ellipticity 0.3635132E-02 Gb(Abramov) 0.1360428E+00 Vb(Abramov) -0.1650236E+00 Hb(Abramov) -0.2898084E-01 Ex_ueg -0.3552079E-01 Ec_ueg -0.5488936E-02 Delta_ex -0.4230447E-01 Delta_ec 0.1242550E-01 Delta_et -0.1558703E+00 Pxc 0.6471344E+01 Qxc -0.3404650E+01 3,-1 141 3 -1 0.257507 -1.118126 -1.888680 Rho 0.5526240E-02 |GRAD(Rho)| 0.9980651E-17 GRAD(Rho)x 0.8111403E-17 GRAD(Rho)y -0.8934579E-18 GRAD(Rho)z -0.5746327E-17 Laplacian 0.2164084E-01 (-1/4)Del**2(Rho)) -0.5410209E-02 Diamond 0.6746345E-03 Metallicity 0.5500329E+00 Ellipticity 0.3909910E+00 Gb(Abramov) 0.4102772E-02 Vb(Abramov) -0.2795334E-02 Hb(Abramov) 0.1307438E-02 Ex_ueg -0.7215914E-03 Ec_ueg -0.1696289E-03 Delta_ex -0.1176141E-02 Delta_ec 0.8225811E-03 Delta_et -0.4547098E-02 Pxc 0.4253942E+01 Qxc -0.1429817E+01 3,-1 142 3 -1 0.413245 -0.524579 0.440095 Rho 0.1807189E+00 |GRAD(Rho)| 0.1293620E-12 GRAD(Rho)x -0.8613943E-13 GRAD(Rho)y 0.9062195E-13 GRAD(Rho)z 0.3319914E-13 Laplacian 0.4782054E+00 (-1/4)Del**2(Rho)) -0.1195513E+00 Diamond 0.1237662E+01 Metallicity 0.8324115E+01 Ellipticity 0.4400759E-02 Gb(Abramov) 0.2455608E+00 Vb(Abramov) -0.3715702E+00 Hb(Abramov) -0.1260094E+00 Ex_ueg -0.7546112E-01 Ec_ueg -0.1043818E-01 Delta_ex -0.5399019E-01 Delta_ec 0.1192340E-01 Delta_et -0.1634433E+00 Pxc 0.7229333E+01 Qxc -0.4528087E+01 3,-1 143 3 -1 1.695294 1.713444 -0.524045 Rho 0.4284071E-01 |GRAD(Rho)| 0.5053940E-16 GRAD(Rho)x 0.1075732E-16 GRAD(Rho)y 0.3970043E-16 GRAD(Rho)z 0.2936642E-16 Laplacian 0.1695705E+00 (-1/4)Del**2(Rho)) -0.4239262E-01 Diamond 0.6850742E-01 Metallicity 0.2131526E+01 Ellipticity 0.2125901E-01 Gb(Abramov) 0.4332191E-01 Vb(Abramov) -0.4425120E-01 Hb(Abramov) -0.9292901E-03 Ex_ueg -0.1107118E-01 Ec_ueg -0.2023134E-02 Delta_ex -0.1336639E-01 Delta_ec 0.4948095E-02 Delta_et -0.5007150E-01 Pxc 0.5472291E+01 Qxc -0.2701321E+01 3,-1 144 3 +3 1.954287 1.889356 -1.939841 Rho 0.1235540E-01 |GRAD(Rho)| 0.4272308E-14 GRAD(Rho)x -0.1660312E-14 GRAD(Rho)y -0.3573024E-14 GRAD(Rho)z 0.1652113E-14 Laplacian 0.5834493E-01 (-1/4)Del**2(Rho)) -0.1458623E-01 Diamond 0.1569873E-02 Metallicity 0.7798979E+00 Ellipticity -0.9095113E+00 Gb(Abramov) 0.1162012E-01 Vb(Abramov) -0.8654002E-02 Hb(Abramov) 0.2966116E-02 Ex_ueg -0.2109570E-02 Ec_ueg -0.4760001E-03 Delta_ex -0.2650089E-02 Delta_ec 0.3287973E-03 Delta_et -0.2807168E-02 Pxc 0.4431869E+01 Qxc -0.8059948E+01 3,+3 145 3 +1 1.302048 2.122929 -1.141105 Rho 0.2856451E-01 |GRAD(Rho)| 0.1227206E-14 GRAD(Rho)x 0.8069808E-15 GRAD(Rho)y 0.8366723E-15 GRAD(Rho)z 0.3934411E-15 Laplacian 0.1146085E+00 (-1/4)Del**2(Rho)) -0.2865214E-01 Diamond 0.1870607E-01 Metallicity 0.1604873E+01 Ellipticity -0.5528867E+01 Gb(Abramov) 0.2676527E-01 Vb(Abramov) -0.2487840E-01 Hb(Abramov) 0.1886870E-02 Ex_ueg -0.6448926E-02 Ec_ueg -0.1269803E-02 Delta_ex -0.7450757E-02 Delta_ec 0.2057784E-02 Delta_et -0.1874479E-01 Pxc 0.5078681E+01 Qxc -0.3620767E+01 3,+1 146 3 +1 2.012512 1.948770 -2.000539 Rho 0.1236968E-01 |GRAD(Rho)| 0.1236442E-13 GRAD(Rho)x -0.6788486E-14 GRAD(Rho)y -0.7910060E-14 GRAD(Rho)z 0.6650283E-14 Laplacian 0.5881384E-01 (-1/4)Del**2(Rho)) -0.1470346E-01 Diamond 0.1861186E-02 Metallicity 0.7751718E+00 Ellipticity -0.1071070E+01 Gb(Abramov) 0.1170192E-01 Vb(Abramov) -0.8700389E-02 Hb(Abramov) 0.3001535E-02 Ex_ueg -0.2112823E-02 Ec_ueg -0.4766617E-03 Delta_ex -0.2748913E-02 Delta_ec 0.4682659E-03 Delta_et -0.3760404E-02 Pxc 0.4432543E+01 Qxc -0.5870411E+01 3,+1 147 3 -1 1.260960 -2.326501 -2.003706 Rho 0.5101128E-01 |GRAD(Rho)| 0.7087498E-13 GRAD(Rho)x 0.4482711E-13 GRAD(Rho)y 0.2356070E-13 GRAD(Rho)z -0.4958514E-13 Laplacian 0.1310560E+00 (-1/4)Del**2(Rho)) -0.3276401E-01 Diamond 0.1085778E+00 Metallicity 0.3689208E+01 Ellipticity 0.6443178E-02 Gb(Abramov) 0.4198821E-01 Vb(Abramov) -0.5121242E-01 Hb(Abramov) -0.9224205E-02 Ex_ueg -0.1397247E-01 Ec_ueg -0.2470849E-02 Delta_ex -0.1253365E-01 Delta_ec 0.6924449E-02 Delta_et -0.7431079E-01 Pxc 0.5654927E+01 Qxc -0.1810057E+01 3,-1 148 3 +1 1.945526 -1.799438 -1.722093 Rho 0.1497836E-01 |GRAD(Rho)| 0.3302348E-16 GRAD(Rho)x 0.2611132E-16 GRAD(Rho)y 0.8940377E-17 GRAD(Rho)z 0.1813335E-16 Laplacian 0.7104776E-01 (-1/4)Del**2(Rho)) -0.1776194E-01 Diamond 0.3881815E-02 Metallicity 0.8827475E+00 Ellipticity -0.1406574E+01 Gb(Abramov) 0.1445451E-01 Vb(Abramov) -0.1114708E-01 Hb(Abramov) 0.3307429E-02 Ex_ueg -0.2726909E-02 Ec_ueg -0.5987488E-03 Delta_ex -0.3709062E-02 Delta_ec 0.9304079E-03 Delta_et -0.7355221E-02 Pxc 0.4554346E+01 Qxc -0.3986490E+01 3,+1 149 3 +1 2.166999 -1.366495 1.087214 Rho 0.2637315E-01 |GRAD(Rho)| 0.6951518E-15 GRAD(Rho)x 0.3480114E-15 GRAD(Rho)y -0.5319341E-15 GRAD(Rho)z -0.2813720E-15 Laplacian 0.1036494E+00 (-1/4)Del**2(Rho)) -0.2591234E-01 Diamond 0.1463182E-01 Metallicity 0.1553519E+01 Ellipticity -0.3923013E+01 Gb(Abramov) 0.2398411E-01 Vb(Abramov) -0.2205588E-01 Hb(Abramov) 0.1928230E-02 Ex_ueg -0.5797860E-02 Ec_ueg -0.1158096E-02 Delta_ex -0.6543352E-02 Delta_ec 0.1766054E-02 Delta_et -0.1579223E-01 Pxc 0.5006374E+01 Qxc -0.3705069E+01 3,+1 150 3 +1 2.970718 0.170159 -0.129140 Rho 0.5715430E-02 |GRAD(Rho)| 0.1062667E-16 GRAD(Rho)x 0.4592872E-17 GRAD(Rho)y -0.6684702E-17 GRAD(Rho)z -0.6866320E-17 Laplacian 0.2360400E-01 (-1/4)Del**2(Rho)) -0.5901001E-02 Diamond 0.6690666E-03 Metallicity 0.5333868E+00 Ellipticity -0.4172275E+01 Gb(Abramov) 0.4458587E-02 Vb(Abramov) -0.3016172E-02 Hb(Abramov) 0.1442414E-02 Ex_ueg -0.7547160E-03 Ec_ueg -0.1778294E-03 Delta_ex -0.1212448E-02 Delta_ec 0.7573643E-03 Delta_et -0.4275836E-02 Pxc 0.4244045E+01 Qxc -0.1600878E+01 3,+1 151 3 -1 1.265675 -1.807346 -2.563412 Rho 0.3048989E+00 |GRAD(Rho)| 0.1406327E-14 GRAD(Rho)x -0.1191843E-14 GRAD(Rho)y 0.7462894E-15 GRAD(Rho)z 0.1782602E-16 Laplacian -0.1501181E+01 (-1/4)Del**2(Rho)) 0.3752953E+00 Diamond 0.5087610E+01 Metallicity -0.6340251E+01 Ellipticity 0.4617249E-02 Gb(Abramov) 0.1463808E+00 Vb(Abramov) -0.6680570E+00 Hb(Abramov) -0.5216761E+00 Ex_ueg -0.1515629E+00 Ec_ueg -0.1904086E-01 Delta_ex 0.1461455E+00 Delta_ec 0.5332924E-01 Delta_et -0.1237638E+01 Pxc 0.7959874E+01 Qxc 0.2740439E+01 3,-1 152 3 -1 1.689463 -1.795906 0.496411 Rho 0.4557467E-01 |GRAD(Rho)| 0.1183364E-15 GRAD(Rho)x 0.5712051E-16 GRAD(Rho)y -0.8730199E-16 GRAD(Rho)z -0.5584912E-16 Laplacian 0.1819257E+00 (-1/4)Del**2(Rho)) -0.4548143E-01 Diamond 0.8082011E-01 Metallicity 0.2202546E+01 Ellipticity 0.1851315E-01 Gb(Abramov) 0.4701678E-01 Vb(Abramov) -0.4855212E-01 Hb(Abramov) -0.1535347E-02 Ex_ueg -0.1202310E-01 Ec_ueg -0.2171759E-02 Delta_ex -0.1460682E-01 Delta_ec 0.5381998E-02 Delta_et -0.5537687E-01 Pxc 0.5536112E+01 Qxc -0.2714014E+01 3,-1 153 3 -1 1.772052 2.800950 0.569618 Rho 0.1526857E+00 |GRAD(Rho)| 0.2460626E-15 GRAD(Rho)x 0.2264085E-15 GRAD(Rho)y -0.2500441E-17 GRAD(Rho)z -0.9633136E-16 Laplacian 0.6421168E+00 (-1/4)Del**2(Rho)) -0.1605292E+00 Diamond 0.1322645E+01 Metallicity 0.4680905E+01 Ellipticity 0.1877864E-01 Gb(Abramov) 0.2322564E+00 Vb(Abramov) -0.3039837E+00 Hb(Abramov) -0.7172724E-01 Ex_ueg -0.6027209E-01 Ec_ueg -0.8615659E-02 Delta_ex -0.6919454E-01 Delta_ec 0.1610484E-01 Delta_et -0.2146385E+00 Pxc 0.6995644E+01 Qxc -0.4296505E+01 3,-1 154 3 +1 1.740415 1.784415 1.730048 Rho 0.1255532E-01 |GRAD(Rho)| 0.1301219E-16 GRAD(Rho)x -0.8539887E-17 GRAD(Rho)y 0.2469583E-17 GRAD(Rho)z 0.9502034E-17 Laplacian 0.6294970E-01 (-1/4)Del**2(Rho)) -0.1573742E-01 Diamond 0.2646270E-02 Metallicity 0.7424474E+00 Ellipticity -0.1257335E+01 Gb(Abramov) 0.1243898E-01 Vb(Abramov) -0.9140545E-02 Hb(Abramov) 0.3298440E-02 Ex_ueg -0.2155206E-02 Ec_ueg -0.4852647E-03 Delta_ex -0.3121226E-02 Delta_ec 0.7988048E-03 Delta_et -0.6069899E-02 Pxc 0.4441298E+01 Qxc -0.3907370E+01 3,+1 155 3 -1 1.987187 -0.625770 -2.798901 Rho 0.1512964E+00 |GRAD(Rho)| 0.1387521E-13 GRAD(Rho)x -0.1207998E-13 GRAD(Rho)y -0.1426444E-14 GRAD(Rho)z 0.6675392E-14 Laplacian 0.5713333E+00 (-1/4)Del**2(Rho)) -0.1428333E+00 Diamond 0.1190905E+01 Metallicity 0.5181289E+01 Ellipticity 0.1122706E+00 Gb(Abramov) 0.2185657E+00 Vb(Abramov) -0.2942980E+00 Hb(Abramov) -0.7573235E-01 Ex_ueg -0.5954195E-01 Ec_ueg -0.8526552E-02 Delta_ex -0.6169330E-01 Delta_ec 0.1483549E-01 Delta_et -0.1985902E+00 Pxc 0.6983122E+01 Qxc -0.4158493E+01 3,-1 156 3 -1 1.723174 -0.577207 1.712682 Rho 0.4122632E-01 |GRAD(Rho)| 0.2695182E-13 GRAD(Rho)x 0.1576899E-13 GRAD(Rho)y 0.5538699E-14 GRAD(Rho)z 0.2114385E-13 Laplacian 0.1636342E+00 (-1/4)Del**2(Rho)) -0.4090855E-01 Diamond 0.6244693E-01 Metallicity 0.2071874E+01 Ellipticity 0.2295996E-01 Gb(Abramov) 0.4139859E-01 Vb(Abramov) -0.4188864E-01 Hb(Abramov) -0.4900465E-03 Ex_ueg -0.1051844E-01 Ec_ueg -0.1935970E-02 Delta_ex -0.1275875E-01 Delta_ec 0.4746564E-02 Delta_et -0.4753911E-01 Pxc 0.5433161E+01 Qxc -0.2687997E+01 3,-1 157 3 -1 2.018624 -0.840076 3.027602 Rho 0.1664745E+00 |GRAD(Rho)| 0.7399491E-12 GRAD(Rho)x 0.4580834E-12 GRAD(Rho)y 0.4946466E-12 GRAD(Rho)z -0.3049737E-12 Laplacian 0.6467927E+00 (-1/4)Del**2(Rho)) -0.1616982E+00 Diamond 0.1483916E+01 Metallicity 0.5367364E+01 Ellipticity 0.3407750E-01 Gb(Abramov) 0.2524476E+00 Vb(Abramov) -0.3431971E+00 Hb(Abramov) -0.9074943E-01 Ex_ueg -0.6763666E-01 Ec_ueg -0.9506331E-02 Delta_ex -0.7126074E-01 Delta_ec 0.1596059E-01 Delta_et -0.2152975E+00 Pxc 0.7114906E+01 Qxc -0.4464793E+01 3,-1 158 3 +3 2.280883 -0.017444 0.032948 Rho 0.4519281E-02 |GRAD(Rho)| 0.1492411E-14 GRAD(Rho)x -0.9910658E-15 GRAD(Rho)y 0.7273701E-15 GRAD(Rho)z -0.8461747E-15 Laplacian 0.1857218E-01 (-1/4)Del**2(Rho)) -0.4643046E-02 Diamond 0.1465186E-03 Metallicity 0.4583520E+00 Ellipticity -0.3170206E+00 Gb(Abramov) 0.3450056E-02 Vb(Abramov) -0.2257065E-02 Hb(Abramov) 0.1192990E-02 Ex_ueg -0.5518371E-03 Ec_ueg -0.1262845E-03 Delta_ex -0.6596373E-03 Delta_ec 0.1455127E-03 Delta_et -0.9459708E-03 Pxc 0.4369792E+01 Qxc -0.4533194E+01 3,+3 159 3 +1 2.990221 -0.155402 0.198281 Rho 0.5632385E-02 |GRAD(Rho)| 0.3238276E-17 GRAD(Rho)x -0.6269798E-18 GRAD(Rho)y 0.2107057E-17 GRAD(Rho)z 0.2377738E-17 Laplacian 0.2322442E-01 (-1/4)Del**2(Rho)) -0.5806106E-02 Diamond 0.5830629E-03 Metallicity 0.5290403E+00 Ellipticity -0.2277436E+01 Gb(Abramov) 0.4382681E-02 Vb(Abramov) -0.2959257E-02 Hb(Abramov) 0.1423425E-02 Ex_ueg -0.7401303E-03 Ec_ueg -0.1742276E-03 Delta_ex -0.1140102E-02 Delta_ec 0.6569102E-03 Delta_et -0.3726950E-02 Pxc 0.4248066E+01 Qxc -0.1735552E+01 3,+1 160 3 -1 2.781625 0.561356 1.801609 Rho 0.1234505E+00 |GRAD(Rho)| 0.7417062E-13 GRAD(Rho)x -0.7365036E-14 GRAD(Rho)y -0.5096056E-13 GRAD(Rho)z 0.5338594E-13 Laplacian 0.5181324E+00 (-1/4)Del**2(Rho)) -0.1295331E+00 Diamond 0.8334733E+00 Metallicity 0.4070621E+01 Ellipticity 0.1173844E-01 Gb(Abramov) 0.1742354E+00 Vb(Abramov) -0.2189378E+00 Hb(Abramov) -0.4470233E-01 Ex_ueg -0.4539859E-01 Ec_ueg -0.6766319E-02 Delta_ex -0.5310741E-01 Delta_ec 0.1383967E-01 Delta_et -0.1788559E+00 Pxc 0.6709496E+01 Qxc -0.3837333E+01 3,-1 161 3 -1 1.968445 2.969301 -0.865132 Rho 0.1413056E+00 |GRAD(Rho)| 0.2112743E-15 GRAD(Rho)x -0.1340616E-15 GRAD(Rho)y 0.8371396E-16 GRAD(Rho)z -0.1402009E-15 Laplacian 0.5556822E+00 (-1/4)Del**2(Rho)) -0.1389206E+00 Diamond 0.1047273E+01 Metallicity 0.4753922E+01 Ellipticity 0.4275418E-01 Gb(Abramov) 0.2026833E+00 Vb(Abramov) -0.2664460E+00 Hb(Abramov) -0.6376273E-01 Ex_ueg -0.5435807E-01 Ec_ueg -0.7889289E-02 Delta_ex -0.5879947E-01 Delta_ec 0.1429086E-01 Delta_et -0.1885732E+00 Pxc 0.6890111E+01 Qxc -0.4114480E+01 3,-1 162 3 -1 2.870133 -0.564748 -1.768351 Rho 0.1527813E+00 |GRAD(Rho)| 0.9029626E-13 GRAD(Rho)x -0.9632621E-14 GRAD(Rho)y 0.5963939E-13 GRAD(Rho)z -0.6711014E-13 Laplacian 0.6313926E+00 (-1/4)Del**2(Rho)) -0.1578481E+00 Diamond 0.1301241E+01 Metallicity 0.4765380E+01 Ellipticity 0.1831084E-01 Gb(Abramov) 0.2305998E+00 Vb(Abramov) -0.3033515E+00 Hb(Abramov) -0.7275167E-01 Ex_ueg -0.6032242E-01 Ec_ueg -0.8621796E-02 Delta_ex -0.6804656E-01 Delta_ec 0.1582830E-01 Delta_et -0.2109584E+00 Pxc 0.6996503E+01 Qxc -0.4299044E+01 3,-1 163 3 -1 2.066004 0.792781 -2.975414 Rho 0.1443027E+00 |GRAD(Rho)| 0.1113899E-11 GRAD(Rho)x -0.6478850E-12 GRAD(Rho)y 0.7622869E-12 GRAD(Rho)z -0.4898312E-12 Laplacian 0.5646713E+00 (-1/4)Del**2(Rho)) -0.1411678E+00 Diamond 0.1096728E+01 Metallicity 0.4844788E+01 Ellipticity 0.3441201E-01 Gb(Abramov) 0.2080999E+00 Vb(Abramov) -0.2750320E+00 Hb(Abramov) -0.6693208E-01 Ex_ueg -0.5590074E-01 Ec_ueg -0.8079806E-02 Delta_ex -0.6011379E-01 Delta_ec 0.1454758E-01 Delta_et -0.1927726E+00 Pxc 0.6918574E+01 Qxc -0.4132219E+01 3,-1 164 3 -1 2.974530 0.073565 -0.031327 Rho 0.5724544E-02 |GRAD(Rho)| 0.2267750E-17 GRAD(Rho)x 0.1027773E-17 GRAD(Rho)y 0.1553933E-17 GRAD(Rho)z 0.1292929E-17 Laplacian 0.2308614E-01 (-1/4)Del**2(Rho)) -0.5771536E-02 Diamond 0.7384123E-03 Metallicity 0.5468018E+00 Ellipticity 0.3814630E+01 Gb(Abramov) 0.4373672E-02 Vb(Abramov) -0.2975807E-02 Hb(Abramov) 0.1397864E-02 Ex_ueg -0.7563212E-03 Ec_ueg -0.1782249E-03 Delta_ex -0.1250269E-02 Delta_ec 0.8551084E-03 Delta_et -0.4785387E-02 Pxc 0.4243633E+01 Qxc -0.1462118E+01 3,-1 165 3 -1 1.820900 0.550291 2.755105 Rho 0.1285006E+00 |GRAD(Rho)| 0.2875859E-15 GRAD(Rho)x 0.1072140E-15 GRAD(Rho)y -0.2651416E-15 GRAD(Rho)z 0.3017809E-16 Laplacian 0.5382884E+00 (-1/4)Del**2(Rho)) -0.1345721E+00 Diamond 0.9085945E+00 Metallicity 0.4188966E+01 Ellipticity 0.1528316E-01 Gb(Abramov) 0.1836677E+00 Vb(Abramov) -0.2327634E+00 Hb(Abramov) -0.4909563E-01 Ex_ueg -0.4789153E-01 Ec_ueg -0.7081803E-02 Delta_ex -0.5570581E-01 Delta_ec 0.1424141E-01 Delta_et -0.1852896E+00 Pxc 0.6762618E+01 Qxc -0.3911538E+01 3,-1 166 3 -1 3.211449 -3.249839 -0.071708 Rho 0.2339988E+00 |GRAD(Rho)| 0.1980404E-12 GRAD(Rho)x -0.1480371E-12 GRAD(Rho)y 0.1278230E-12 GRAD(Rho)z 0.3108535E-13 Laplacian 0.8605849E+00 (-1/4)Del**2(Rho)) -0.2151462E+00 Diamond 0.2947757E+01 Metallicity 0.7115011E+01 Ellipticity 0.9641756E-02 Gb(Abramov) 0.3985588E+00 Vb(Abramov) -0.5819714E+00 Hb(Abramov) -0.1834126E+00 Ex_ueg -0.1064968E+00 Ec_ueg -0.1402526E-01 Delta_ex -0.1032668E+00 Delta_ec 0.1910896E-01 Delta_et -0.2642515E+00 Pxc 0.7593217E+01 Qxc -0.5404104E+01 3,-1 167 3 -1 3.232135 0.066911 3.190226 Rho 0.2381917E+00 |GRAD(Rho)| 0.1680496E-13 GRAD(Rho)x -0.1094274E-13 GRAD(Rho)y -0.1254205E-13 GRAD(Rho)z 0.2315151E-14 Laplacian 0.8678885E+00 (-1/4)Del**2(Rho)) -0.2169721E+00 Diamond 0.3041183E+01 Metallicity 0.7267087E+01 Ellipticity 0.1220563E-02 Gb(Abramov) 0.4074406E+00 Vb(Abramov) -0.5979091E+00 Hb(Abramov) -0.1904685E+00 Ex_ueg -0.1090487E+00 Ec_ueg -0.1431420E-01 Delta_ex -0.1046492E+00 Delta_ec 0.1921077E-01 Delta_et -0.2660121E+00 Pxc 0.7618219E+01 Qxc -0.5447422E+01 3,-1 168 3 -1 3.060463 0.860730 -1.952475 Rho 0.1383877E+00 |GRAD(Rho)| 0.1210386E-12 GRAD(Rho)x -0.2865666E-13 GRAD(Rho)y -0.8884850E-13 GRAD(Rho)z -0.7703956E-13 Laplacian 0.5599883E+00 (-1/4)Del**2(Rho)) -0.1399971E+00 Diamond 0.1028328E+01 Metallicity 0.4556138E+01 Ellipticity 0.3765186E-01 Gb(Abramov) 0.1996390E+00 Vb(Abramov) -0.2592810E+00 Hb(Abramov) -0.5964196E-01 Ex_ueg -0.5286665E-01 Ec_ueg -0.7704357E-02 Delta_ex -0.5894436E-01 Delta_ec 0.1445648E-01 Delta_et -0.1901222E+00 Pxc 0.6861916E+01 Qxc -0.4077366E+01 3,-1 169 3 -1 2.796474 -1.835312 -0.554966 Rho 0.1191775E+00 |GRAD(Rho)| 0.6267710E-12 GRAD(Rho)x -0.1297068E-12 GRAD(Rho)y -0.5014247E-12 GRAD(Rho)z 0.3529748E-12 Laplacian 0.4906119E+00 (-1/4)Del**2(Rho)) -0.1226530E+00 Diamond 0.7579052E+00 Metallicity 0.4053832E+01 Ellipticity 0.1690198E-01 Gb(Abramov) 0.1646377E+00 Vb(Abramov) -0.2066225E+00 Hb(Abramov) -0.4198476E-01 Ex_ueg -0.4331559E-01 Ec_ueg -0.6500740E-02 Delta_ex -0.4988508E-01 Delta_ec 0.1324748E-01 Delta_et -0.1702158E+00 Pxc 0.6663177E+01 Qxc -0.3765627E+01 3,-1 170 3 -1 2.977004 -2.006506 0.831352 Rho 0.9963119E-01 |GRAD(Rho)| 0.4560195E-14 GRAD(Rho)x -0.1711179E-14 GRAD(Rho)y -0.2938618E-14 GRAD(Rho)z -0.3038382E-14 Laplacian 0.3946810E+00 (-1/4)Del**2(Rho)) -0.9867026E-01 Diamond 0.4865231E+00 Metallicity 0.3738457E+01 Ellipticity 0.2055122E-02 Gb(Abramov) 0.1272593E+00 Vb(Abramov) -0.1558483E+00 Hb(Abramov) -0.2858901E-01 Ex_ueg -0.3411239E-01 Ec_ueg -0.5302716E-02 Delta_ex -0.3839240E-01 Delta_ec 0.1094811E-01 Delta_et -0.1358171E+00 Pxc 0.6433003E+01 Qxc -0.3506761E+01 3,-1 171 3 -1 3.155008 3.234810 0.081326 Rho 0.2396329E+00 |GRAD(Rho)| 0.1138729E-10 GRAD(Rho)x 0.7755130E-11 GRAD(Rho)y 0.8095423E-11 GRAD(Rho)z 0.1998095E-11 Laplacian 0.8741839E+00 (-1/4)Del**2(Rho)) -0.2185460E+00 Diamond 0.3084336E+01 Metallicity 0.7287653E+01 Ellipticity 0.1571444E-02 Gb(Abramov) 0.4111452E+00 Vb(Abramov) -0.6037444E+00 Hb(Abramov) -0.1925992E+00 Ex_ueg -0.1099293E+00 Ec_ueg -0.1441374E-01 Delta_ex -0.1055678E+00 Delta_ec 0.1930392E-01 Delta_et -0.2673072E+00 Pxc 0.7626705E+01 Qxc -0.5468724E+01 3,-1 172 3 -1 3.017679 -0.849213 1.987522 Rho 0.1689691E+00 |GRAD(Rho)| 0.8218587E-13 GRAD(Rho)x -0.3154451E-13 GRAD(Rho)y 0.5638700E-13 GRAD(Rho)z 0.5079338E-13 Laplacian 0.6591378E+00 (-1/4)Del**2(Rho)) -0.1647845E+00 Diamond 0.1538431E+01 Metallicity 0.5399030E+01 Ellipticity 0.5183320E-01 Gb(Abramov) 0.2581357E+00 Vb(Abramov) -0.3514869E+00 Hb(Abramov) -0.9335123E-01 Ex_ueg -0.6899137E-01 Ec_ueg -0.9668671E-02 Delta_ex -0.7288183E-01 Delta_ec 0.1618697E-01 Delta_et -0.2186923E+00 Pxc 0.7135559E+01 Qxc -0.4502498E+01 3,-1 173 3 -1 3.360698 -0.031197 -3.147871 Rho 0.2383908E+00 |GRAD(Rho)| 0.4081524E-15 GRAD(Rho)x -0.1273938E-15 GRAD(Rho)y -0.3362382E-16 GRAD(Rho)z -0.3863012E-15 Laplacian 0.8664715E+00 (-1/4)Del**2(Rho)) -0.2166179E+00 Diamond 0.3039692E+01 Metallicity 0.7289113E+01 Ellipticity 0.2517169E-02 Gb(Abramov) 0.4075706E+00 Vb(Abramov) -0.5985234E+00 Hb(Abramov) -0.1909527E+00 Ex_ueg -0.1091703E+00 Ec_ueg -0.1432794E-01 Delta_ex -0.1045033E+00 Delta_ec 0.1917870E-01 Delta_et -0.2655937E+00 Pxc 0.7619395E+01 Qxc -0.5448926E+01 3,-1 174 3 -1 -3.234463 -0.049595 3.268270 Rho 0.2372119E+00 |GRAD(Rho)| 0.8810548E-15 GRAD(Rho)x 0.7376912E-15 GRAD(Rho)y 0.4591596E-16 GRAD(Rho)z -0.4795426E-15 Laplacian 0.8676309E+00 (-1/4)Del**2(Rho)) -0.2169077E+00 Diamond 0.3021528E+01 Metallicity 0.7219474E+01 Ellipticity 0.2530394E-02 Gb(Abramov) 0.4055984E+00 Vb(Abramov) -0.5942891E+00 Hb(Abramov) -0.1886907E+00 Ex_ueg -0.1084510E+00 Ec_ueg -0.1424659E-01 Delta_ex -0.1044856E+00 Delta_ec 0.1919268E-01 Delta_et -0.2655660E+00 Pxc 0.7612419E+01 Qxc -0.5444034E+01 3,-1 175 3 -1 -3.032704 0.867545 2.059712 Rho 0.1437766E+00 |GRAD(Rho)| 0.2399487E-15 GRAD(Rho)x -0.4351716E-16 GRAD(Rho)y 0.2027323E-15 GRAD(Rho)z -0.1207530E-15 Laplacian 0.5635659E+00 (-1/4)Del**2(Rho)) -0.1408915E+00 Diamond 0.1082542E+01 Metallicity 0.4824829E+01 Ellipticity 0.2376110E-01 Gb(Abramov) 0.2072239E+00 Vb(Abramov) -0.2735563E+00 Hb(Abramov) -0.6633239E-01 Ex_ueg -0.5562916E-01 Ec_ueg -0.8046322E-02 Delta_ex -0.5986624E-01 Delta_ec 0.1439571E-01 Delta_et -0.1903636E+00 Pxc 0.6913614E+01 Qxc -0.4158616E+01 3,-1 176 3 -1 -3.325560 -3.235048 0.065520 Rho 0.2147757E+00 |GRAD(Rho)| 0.5996101E-08 GRAD(Rho)x -0.4383744E-08 GRAD(Rho)y -0.3977180E-08 GRAD(Rho)z 0.9581492E-09 Laplacian 0.8117398E+00 (-1/4)Del**2(Rho)) -0.2029350E+00 Diamond 0.2503195E+01 Metallicity 0.6538904E+01 Ellipticity 0.2732436E-02 Gb(Abramov) 0.3564520E+00 Vb(Abramov) -0.5099691E+00 Hb(Abramov) -0.1535171E+00 Ex_ueg -0.9499454E-01 Ec_ueg -0.1271289E-01 Delta_ex -0.9523523E-01 Delta_ec 0.1842145E-01 Delta_et -0.2534340E+00 Pxc 0.7472303E+01 Qxc -0.5169800E+01 3,-1 177 3 -1 -1.743838 1.740349 0.565086 Rho 0.4301245E-01 |GRAD(Rho)| 0.9120592E-16 GRAD(Rho)x 0.2459657E-16 GRAD(Rho)y -0.6585512E-16 GRAD(Rho)z 0.5810879E-16 Laplacian 0.1825685E+00 (-1/4)Del**2(Rho)) -0.4564211E-01 Diamond 0.8035338E-01 Metallicity 0.1993017E+01 Ellipticity 0.1425052E-01 Gb(Abramov) 0.4558899E-01 Vb(Abramov) -0.4553587E-01 Hb(Abramov) 0.5311976E-04 Ex_ueg -0.1113040E-01 Ec_ueg -0.2032433E-02 Delta_ex -0.1473158E-01 Delta_ec 0.5909645E-02 Delta_et -0.5996392E-01 Pxc 0.5476389E+01 Qxc -0.2492802E+01 3,-1 178 3 -1 -1.652032 -2.123620 -3.110754 Rho 0.3212467E+00 |GRAD(Rho)| 0.4131052E-13 GRAD(Rho)x -0.9184569E-14 GRAD(Rho)y 0.3312872E-13 GRAD(Rho)z 0.2290613E-13 Laplacian -0.1617265E+01 (-1/4)Del**2(Rho)) 0.4043163E+00 Diamond 0.5657206E+01 Metallicity -0.6420415E+01 Ellipticity 0.2327022E-02 Gb(Abramov) 0.1631022E+00 Vb(Abramov) -0.7305206E+00 Hb(Abramov) -0.5674184E+00 Ex_ueg -0.1624937E+00 Ec_ueg -0.2023672E-01 Delta_ex 0.1613749E+00 Delta_ec 0.5628748E-01 Delta_et -0.1338781E+01 Pxc 0.8029647E+01 Qxc 0.2866977E+01 3,-1 179 3 -1 -0.846067 -3.428608 -1.435426 Rho 0.3245323E+00 |GRAD(Rho)| 0.5862557E-15 GRAD(Rho)x 0.1412343E-15 GRAD(Rho)y 0.4827029E-15 GRAD(Rho)z 0.3012417E-15 Laplacian -0.1645412E+01 (-1/4)Del**2(Rho)) 0.4113530E+00 Diamond 0.5738161E+01 Metallicity -0.6418524E+01 Ellipticity 0.1090312E-02 Gb(Abramov) 0.1658112E+00 Vb(Abramov) -0.7429753E+00 Hb(Abramov) -0.5771642E+00 Ex_ueg -0.1647134E+00 Ec_ueg -0.2047887E-01 Delta_ex 0.1651541E+00 Delta_ec 0.5670675E-01 Delta_et -0.1356466E+01 Pxc 0.8043091E+01 Qxc 0.2912424E+01 3,-1 180 3 -1 -0.567268 2.728025 -1.837819 Rho 0.1621381E+00 |GRAD(Rho)| 0.5065880E-15 GRAD(Rho)x -0.2817028E-15 GRAD(Rho)y 0.2267744E-15 GRAD(Rho)z 0.3547510E-15 Laplacian 0.6686476E+00 (-1/4)Del**2(Rho)) -0.1671619E+00 Diamond 0.1476251E+01 Metallicity 0.4968490E+01 Ellipticity 0.6776052E-02 Gb(Abramov) 0.2498650E+00 Vb(Abramov) -0.3325680E+00 Hb(Abramov) -0.8270307E-01 Ex_ueg -0.6529780E-01 Ec_ueg -0.9225002E-02 Delta_ex -0.7309708E-01 Delta_ec 0.1645218E-01 Delta_et -0.2208010E+00 Pxc 0.7078350E+01 Qxc -0.4443004E+01 3,-1 181 3 -1 -0.066831 -3.227065 3.274054 Rho 0.2150448E+00 |GRAD(Rho)| 0.1865562E-15 GRAD(Rho)x -0.1612073E-15 GRAD(Rho)y 0.8998878E-17 GRAD(Rho)z 0.9345823E-16 Laplacian 0.8065984E+00 (-1/4)Del**2(Rho)) -0.2016496E+00 Diamond 0.2493504E+01 Metallicity 0.6594332E+01 Ellipticity 0.2967532E-02 Gb(Abramov) 0.3560571E+00 Vb(Abramov) -0.5104646E+00 Hb(Abramov) -0.1544075E+00 Ex_ueg -0.9515327E-01 Ec_ueg -0.1273112E-01 Delta_ex -0.9467749E-01 Delta_ec 0.1832487E-01 Delta_et -0.2522266E+00 Pxc 0.7474070E+01 Qxc -0.5166613E+01 3,-1 182 3 -1 1.840629 -2.868261 -0.604826 Rho 0.2036710E+00 |GRAD(Rho)| 0.5535542E-14 GRAD(Rho)x 0.3763591E-14 GRAD(Rho)y 0.1506418E-14 GRAD(Rho)z 0.3769391E-14 Laplacian 0.7845260E+00 (-1/4)Del**2(Rho)) -0.1961315E+00 Diamond 0.2266637E+01 Metallicity 0.6192809E+01 Ellipticity 0.1172160E-01 Gb(Abramov) 0.3331885E+00 Vb(Abramov) -0.4702455E+00 Hb(Abramov) -0.1370570E+00 Ex_ueg -0.8850284E-01 Ec_ueg -0.1196405E-01 Delta_ex -0.9077396E-01 Delta_ec 0.1803451E-01 Delta_et -0.2471043E+00 Pxc 0.7397396E+01 Qxc -0.5033348E+01 3,-1 183 3 -1 2.989264 2.010447 -0.820965 Rho 0.1381748E+00 |GRAD(Rho)| 0.2476564E-12 GRAD(Rho)x 0.1185308E-12 GRAD(Rho)y -0.1293000E-12 GRAD(Rho)z -0.1748303E-12 Laplacian 0.5459136E+00 (-1/4)Del**2(Rho)) -0.1364784E+00 Diamond 0.1005802E+01 Metallicity 0.4661624E+01 Ellipticity 0.2731102E-01 Gb(Abramov) 0.1970208E+00 Vb(Abramov) -0.2575631E+00 Hb(Abramov) -0.6054237E-01 Ex_ueg -0.5275822E-01 Ec_ueg -0.7690882E-02 Delta_ex -0.5749882E-01 Delta_ec 0.1420105E-01 Delta_et -0.1869296E+00 Pxc 0.6859840E+01 Qxc -0.4048912E+01 3,-1 184 3 -1 2.755776 1.827261 0.570429 Rho 0.1530701E+00 |GRAD(Rho)| 0.1442258E-11 GRAD(Rho)x 0.3409907E-12 GRAD(Rho)y -0.1049077E-11 GRAD(Rho)z 0.9291245E-12 Laplacian 0.6386357E+00 (-1/4)Del**2(Rho)) -0.1596589E+00 Diamond 0.1320948E+01 Metallicity 0.4726182E+01 Ellipticity 0.1161030E-01 Gb(Abramov) 0.2322022E+00 Vb(Abramov) -0.3047454E+00 Hb(Abramov) -0.7254323E-01 Ex_ueg -0.6047448E-01 Ec_ueg -0.8640332E-02 Delta_ex -0.6887663E-01 Delta_ec 0.1603332E-01 Delta_et -0.2138192E+00 Pxc 0.6999092E+01 Qxc -0.4295842E+01 3,-1 185 3 -1 2.010024 -3.054793 0.855872 Rho 0.1570225E+00 |GRAD(Rho)| 0.1030499E-14 GRAD(Rho)x 0.3918442E-15 GRAD(Rho)y -0.4060337E-16 GRAD(Rho)z -0.9522277E-15 Laplacian 0.6044342E+00 (-1/4)Del**2(Rho)) -0.1511086E+00 Diamond 0.1299327E+01 Metallicity 0.5210355E+01 Ellipticity 0.2983706E-01 Gb(Abramov) 0.2319606E+00 Vb(Abramov) -0.3128126E+00 Hb(Abramov) -0.8085202E-01 Ex_ueg -0.6256541E-01 Ec_ueg -0.8894561E-02 Delta_ex -0.6569612E-01 Delta_ec 0.1524920E-01 Delta_et -0.2044722E+00 Pxc 0.7034120E+01 Qxc -0.4308169E+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 80 139 108 120 140 133 181 142 112 131 117 130 121 180 134 136 128 122 135 138 106 113 127 152 169 182 170 185 166 143 184 153 183 161 171 177 71 94 72 95 77 61 74 91 67 85 176 80 98 82 66 78 69 55 68 83 175 88 174 156 160 165 172 157 167 104 162 155 168 163 173 141 124 164 93 151 119 147 178 86 179 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 18 21 21 28 28 36 37 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 20 36 54 53 54 52 52 53 2.418905 2.009366 1.957311 2.066424 2.041807 1.785977 1.711185 1.685022 1.716996 1.717655 2.353039 1.905241 1.885582 1.995647 1.979783 1.746320 2.390085 1.922136 1.985135 1.906415 1.916722 1.745765 2.406116 2.005751 1.806387 2.088692 1.907532 1.753128 2.434452 1.905997 1.906156 1.956708 1.948500 1.744071 2.425492 1.997291 2.036028 1.998925 2.018300 1.784545 2.376808 2.050758 1.966297 2.065564 2.025985 1.786240 2.367619 1.907074 2.001095 1.889758 1.963652 1.747308 2.419044 1.875802 1.906092 1.942516 2.027540 1.748003 2.449614 1.989481 1.974378 1.877961 1.884067 1.746405 2.453484 1.907492 1.927951 1.954035 1.940622 1.746174 3.291455 3.190555 3.236170 3.295965 1.010078 1.942356 1.653582 0.994492 1.927446 0.992320 2.420894 2.009647 1.957496 2.066767 2.042140 1.785980 1.711202 1.685063 1.717009 1.717664 2.354575 1.905666 1.885852 1.996284 1.980356 1.746330 2.391981 1.922610 1.985508 1.906950 1.917245 1.745777 2.407937 2.006103 1.806504 2.089207 1.908008 1.753150 2.436083 1.906430 1.906632 1.957265 1.949120 1.744078 2.427365 1.997521 2.036224 1.999295 2.018707 1.784551 2.379342 2.050938 1.966486 2.065909 2.026585 1.786247 2.369696 1.907382 2.001450 1.890167 1.964651 1.747318 2.420443 1.876075 1.906413 1.943090 2.028066 1.748010 2.451339 1.989908 1.974776 1.878436 1.884484 1.746417 2.454955 1.908053 1.928944 1.954601 1.941211 1.746180 3.326812 3.197156 3.242836 3.297836 1.010154 1.942611 1.656129 0.994577 1.934071 0.992413 31 28 26 30 27 22 23 23 23 22 30 27 25 27 29 25 31 27 26 26 27 27 30 26 25 27 24 24 30 26 30 25 27 23 27 26 29 25 29 23 27 24 29 25 24 24 27 28 25 24 24 22 27 24 25 24 27 22 32 26 26 24 26 24 31 27 27 29 26 22 35 35 35 35 20 27 26 18 27 19 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 Ta As W W W W Ta Ta W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.2404 2.5037 2.4736 2.4728 2.3989 2.4745 2.2534 2.2282 2.4746 2.4512 2.4587 2.4451 -1.1160 -1.0298 -1.1233 -1.1181 -0.9699 -0.9741 -0.9785 -0.9657 -0.7893 -0.9690 -0.9662 -0.9814 -0.9691 -1.0197 -0.9629 -0.9131 -0.9718 -0.9962 -0.9815 -1.0055 -0.9858 -0.9841 -0.9788 -0.8200 -0.8956 -0.9943 -1.0036 -0.9809 -0.9236 -0.8181 -0.8163 -0.8173 -0.8369 -0.8132 -0.9184 -0.9235 -0.8216 -0.8284 -0.8215 0.2870 0.3260 0.2950 2.1036 0.8332 2.0945 2.0922 2.1195 2.0887 2.0980 2.1185 2.1103 2.1044 2.0964 2.1009 1.9359 1.9451 1.9347 1.9327 1.9315 1.9304 1.9291 1.9311 1.8768 1.9302 1.9322 1.9290 1.9311 1.9241 1.9312 1.9562 1.9417 1.9386 1.9398 1.9369 1.9395 1.9404 1.9405 1.8764 1.8749 1.9383 1.9380 1.9402 1.9443 1.9599 1.9619 1.9610 1.9581 1.9622 1.9448 1.9440 1.9602 1.9611 1.9608 0.5737 0.5401 0.5364 6.0746 1.1174 6.0906 6.0871 6.1064 6.0880 6.0677 6.0859 6.0945 6.0980 6.0906 6.1034 5.1435 5.0477 5.1512 5.1492 5.0103 5.0143 5.0220 5.0053 4.8807 5.0100 5.0052 5.0251 5.0100 5.0708 5.0020 4.9245 4.9999 5.0279 5.0106 5.0403 5.0166 5.0143 5.0074 4.9135 4.9917 5.0267 5.0368 5.0102 4.9519 4.8241 4.8203 4.8220 4.8458 4.8164 4.9459 4.9522 4.8277 4.8335 4.8266 0.1393 0.1338 0.1687 2.5472 10.5457 3.3118 3.3183 3.3464 3.3192 2.5467 2.5336 3.2910 3.3169 3.3250 3.3215 0.0366 0.0369 0.0374 0.0363 0.0281 0.0294 0.0274 0.0294 0.0318 0.0288 0.0288 0.0273 0.0280 0.0248 0.0297 0.0324 0.0302 0.0297 0.0311 0.0284 0.0297 0.0294 0.0308 0.0301 0.0290 0.0293 0.0289 0.0305 0.0275 0.0341 0.0341 0.0342 0.0330 0.0345 0.0277 0.0273 0.0337 0.0338 0.0341 0.0000 0.0000 0.0000 14.0341 0.0000 14.0294 14.0296 14.0287 14.0296 14.0342 14.0339 14.0295 14.0294 14.0293 14.0292 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Ta As W W W W Ta Ta W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.366944 2.315634 2.507257 2.509376 2.480775 2.508005 2.369666 2.379842 2.524086 2.499335 2.503165 2.504675 -1.096429 -1.038633 -1.093945 -1.103641 -0.992384 -0.973425 -0.996594 -0.973049 -0.643119 -0.977662 -0.969624 -1.000596 -0.986180 -1.034726 -0.973133 -0.794670 -0.967337 -0.979665 -0.967438 -0.997305 -0.981703 -0.963311 -0.966957 -0.640749 -0.631718 -0.987454 -0.992885 -0.965587 -1.001134 -0.864420 -0.856699 -0.858142 -0.885700 -0.852143 -0.994235 -1.000280 -0.862946 -0.870245 -0.862849 0.045230 0.046949 0.037772 1.844154 1.719751 1.931971 1.936286 1.912071 1.929635 1.847685 1.862321 1.950705 1.931290 1.934475 1.937127 -0.738465 -0.708163 -0.733893 -0.744809 -0.766215 -0.740707 -0.754143 -0.734123 -0.776142 -0.726657 -0.716373 -0.765485 -0.761425 -0.790438 -0.735561 -0.676155 -0.809742 -0.830267 -0.789669 -0.835453 -0.827345 -0.784163 -0.805909 -0.815141 -0.873291 -0.830067 -0.833567 -0.800085 -0.932875 -0.762663 -0.765559 -0.766367 -0.794632 -0.760527 -0.922847 -0.919365 -0.762333 -0.780103 -0.770569 0.333962 0.295356 0.274502 1.957183 1.671564 2.037435 2.041985 2.009866 2.037173 1.959145 1.988458 2.081684 2.041023 2.039025 2.040455 -0.793352 -0.801250 -0.791565 -0.809662 -0.841673 -0.823414 -0.838465 -0.812304 -0.810860 -0.813120 -0.800365 -0.839832 -0.836667 -0.905368 -0.811473 -0.754077 -0.838826 -0.867946 -0.835105 -0.874741 -0.852989 -0.830212 -0.836075 -0.850217 -0.897784 -0.858422 -0.873907 -0.838748 -0.907516 -0.742289 -0.732298 -0.733678 -0.764885 -0.726442 -0.900056 -0.911356 -0.761133 -0.744840 -0.739719 0.434662 0.326851 0.336123 7.84444432 2.08940569 -6.42237087 10.35122072 -18.95319425 -1.12174461 -1.23503253 0.05589079 32.85099563 18.89730347 -379.3524 419.9455 -34.3733 -416.7775 -57.8513 -468.4089 Jun19-2024 14:54:32 Nodes: 1 Procs: 1 Jun19-2024 14:54:35 Nodes: 1 Procs: 1 0 Jun19-2024 14:54:38 Nodes: 1 Procs: 1 Jun19-2024 14:54:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 14:54:43 Nodes: 1 Procs: 1 Jun19-2024 14:54:47 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 14:54:51 Nodes: 1 Procs: 1 Jun19-2024 14:54:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 14:54:56 Nodes: 1 Procs: 1 Jun19-2024 14:54:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 14:55:07 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -16.71135661 -17.06084107 -16.97132605 -16.91100120 -17.07917403 -17.17000640 -17.19268026 -17.19633954 -17.19965967 -17.20148486 -17.20253847 -17.20530858 -17.20807371 -17.21010689 -17.21007673 -17.21217385 -17.21214779 -17.21326818 -17.21344123 -17.21354830 -17.21360433 -17.21366350 -17.21369213 -17.21371094 GEOMETRY CONVERGED