ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:20:00 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.05 4.30 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 14:20:00 Nodes: 1 Procs: 1 Jun19-2024 14:20:04 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:20:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.06 2.23 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 14:20:00 Nodes: 1 Procs: 1 Jun19-2024 14:20:04 Nodes: 1 Procs: 1 0 Jun19-2024 14:20:08 Nodes: 1 Procs: 1 Jun19-2024 14:20:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:20:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.45 0.07 3.03 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 14:20:00 Nodes: 1 Procs: 1 Jun19-2024 14:20:04 Nodes: 1 Procs: 1 0 Jun19-2024 14:20:08 Nodes: 1 Procs: 1 Jun19-2024 14:20:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 14:20:14 Nodes: 1 Procs: 1 Jun19-2024 14:20:17 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:20:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.04 1.60 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 14:20:00 Nodes: 1 Procs: 1 Jun19-2024 14:20:04 Nodes: 1 Procs: 1 0 Jun19-2024 14:20:08 Nodes: 1 Procs: 1 Jun19-2024 14:20:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 14:20:14 Nodes: 1 Procs: 1 Jun19-2024 14:20:17 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 14:20:21 Nodes: 1 Procs: 1 Jun19-2024 14:20:23 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:20:25 Hydrogen (TZP) c1-10 c1-10 c1-10 c1-10 c1-10 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.45 0.06 3.44 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 14:20:00 Nodes: 1 Procs: 1 Jun19-2024 14:20:04 Nodes: 1 Procs: 1 0 Jun19-2024 14:20:08 Nodes: 1 Procs: 1 Jun19-2024 14:20:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 14:20:14 Nodes: 1 Procs: 1 Jun19-2024 14:20:17 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 14:20:21 Nodes: 1 Procs: 1 Jun19-2024 14:20:23 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 14:20:25 Nodes: 1 Procs: 1 Jun19-2024 14:20:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 14:20:33 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.W ADF 2019.304 Jun19-2024 14:20:28 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun19-2024 14:20:11 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun19-2024 14:20:17 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun19-2024 14:20:23 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 14:20:04 1 1 Hydrogen TZP 1 1 -16.68226523 0.29631197 0.00100000 F 0.09402051 0.00066667 F 0.29631197 0.09402051 0.26079778 0.01000000 F 0.06666157 0.00666667 F Cartesian 2712.4619000000057 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-1.082732 -1.017501 -1.018493 Rho 0.3190709E+03 3,-3 15 3 -3 0.948174 0.921011 -0.989301 Rho 0.3190236E+03 3,-3 16 3 -3 -0.993180 0.962892 1.002337 Rho 0.3189988E+03 3,-3 17 3 -3 -3.031643 -1.112358 1.152814 Rho 0.3188782E+03 3,-3 18 3 -3 3.145185 -1.222731 -1.149314 Rho 0.3188295E+03 3,-3 19 3 -3 -2.982886 1.110924 -1.048543 Rho 0.3189570E+03 3,-3 20 3 -3 3.094101 1.228201 1.173289 Rho 0.3188508E+03 3,-3 21 3 -3 1.387219 -1.319033 -3.201419 Rho 0.3186505E+03 3,-3 22 3 -3 1.181920 1.198023 3.081085 Rho 0.3188249E+03 3,-3 23 3 -3 -1.187886 1.137750 -2.991715 Rho 0.3188241E+03 3,-3 24 3 -3 -1.194993 -1.144783 3.032562 Rho 0.3188665E+03 3,-3 25 3 -3 -1.156975 3.003302 -1.140375 Rho 0.3188532E+03 3,-3 26 3 -3 -1.217647 -2.970687 1.205333 Rho 0.3188573E+03 3,-3 27 3 -3 1.187437 3.073199 1.115698 Rho 0.3188469E+03 3,-3 28 3 -3 1.170785 -3.067003 -1.091362 Rho 0.3191134E+03 3,-3 29 3 -3 3.369160 -1.593242 1.527696 Rho 0.3188967E+03 3,-3 30 3 -3 -3.468598 -1.578907 -1.539452 Rho 0.3189075E+03 3,-3 31 3 -3 3.437841 1.572119 -1.482390 Rho 0.3189119E+03 3,-3 32 3 -3 -3.458439 1.506668 1.571098 Rho 0.3189243E+03 3,-3 33 3 -3 1.421934 -1.557302 3.498947 Rho 0.3189115E+03 3,-3 34 3 -3 1.474508 1.509705 -3.462489 Rho 0.3189039E+03 3,-3 35 3 -3 -1.579845 1.513872 3.499493 Rho 0.3189223E+03 3,-3 36 3 -3 -1.879244 -1.395345 -3.784341 Rho 0.3192414E+03 3,-3 37 3 -3 -1.568314 -3.649078 -1.290146 Rho 0.3187118E+03 3,-3 38 3 -3 -1.586658 3.428284 1.495579 Rho 0.3189113E+03 3,-3 39 3 -3 1.457427 -3.461378 1.567559 Rho 0.3189438E+03 3,-3 40 3 -3 1.491159 3.392332 -1.531418 Rho 0.3189264E+03 3,-3 41 3 -3 -0.280187 -3.790672 3.764113 Rho 0.3192517E+03 3,-3 42 3 -3 3.943802 -0.082045 -3.829540 Rho 0.3191180E+03 3,-3 43 3 -3 -0.244220 3.728535 -3.739586 Rho 0.3192587E+03 3,-3 44 3 -3 0.196494 3.879296 3.797784 Rho 0.3191077E+03 3,-3 45 3 -3 3.721098 -3.866120 -0.197981 Rho 0.3192063E+03 3,-3 46 3 -3 3.764411 3.823752 0.193634 Rho 0.3192419E+03 3,-3 47 3 -3 -3.816549 3.698027 -0.256117 Rho 0.3192261E+03 3,-3 48 3 -3 -3.877794 -3.658338 0.274867 Rho 0.3192631E+03 3,-3 49 3 -3 -3.934923 0.391108 -3.567350 Rho 0.3192095E+03 3,-3 50 3 -3 -3.785003 -0.230773 3.787958 Rho 0.3192537E+03 3,-3 51 3 -3 3.829352 0.133603 3.842513 Rho 0.3191115E+03 3,-3 52 3 -3 1.075731 -1.934698 -2.482675 Rho 0.4421811E+00 3,-3 53 3 -3 -0.596697 -3.402332 -1.250361 Rho 0.4345982E+00 3,-3 54 3 +1 -2.253071 -1.172818 -1.367094 Rho 0.3092968E-01 |GRAD(Rho)| 0.2926675E-14 GRAD(Rho)x -0.1559060E-14 GRAD(Rho)y 0.1103413E-14 GRAD(Rho)z -0.2217486E-14 Laplacian 0.1281788E+00 (-1/4)Del**2(Rho)) -0.3204471E-01 Diamond 0.2324911E-01 Metallicity 0.1638410E+01 Ellipticity -0.5063784E+01 Gb(Abramov) 0.3011353E-01 Vb(Abramov) -0.2818236E-01 Hb(Abramov) 0.1931174E-02 Ex_ueg -0.7170548E-02 Ec_ueg -0.1391660E-02 Delta_ex -0.8504723E-02 Delta_ec 0.2287822E-02 Delta_et -0.2124668E-01 Pxc 0.5152513E+01 Qxc -0.3717389E+01 3,+1 55 3 +3 -1.145020 -1.099647 1.165482 Rho 0.5471099E-02 |GRAD(Rho)| 0.1077444E-15 GRAD(Rho)x -0.6642776E-16 GRAD(Rho)y 0.6235776E-16 GRAD(Rho)z -0.5751280E-16 Laplacian 0.2141712E-01 (-1/4)Del**2(Rho)) -0.5354280E-02 Diamond 0.1657652E-03 Metallicity 0.5465665E+00 Ellipticity -0.6633166E-01 Gb(Abramov) 0.4057265E-02 Vb(Abramov) -0.2760250E-02 Hb(Abramov) 0.1297015E-02 Ex_ueg -0.7120074E-03 Ec_ueg -0.1672421E-03 Delta_ex -0.7558922E-03 Delta_ec 0.8927002E-04 Delta_et -0.7320633E-03 Pxc 0.4257345E+01 Qxc -0.8467481E+01 3,+3 56 3 +1 0.508830 1.683923 0.524771 Rho 0.7507154E-02 |GRAD(Rho)| 0.6662764E-13 GRAD(Rho)x 0.4987675E-14 GRAD(Rho)y 0.4202980E-13 GRAD(Rho)z 0.5145737E-13 Laplacian 0.2885287E-01 (-1/4)Del**2(Rho)) -0.7213217E-02 Diamond 0.6418243E-03 Metallicity 0.6874109E+00 Ellipticity -0.1408746E+01 Gb(Abramov) 0.5635219E-02 Vb(Abramov) -0.4057220E-02 Hb(Abramov) 0.1577998E-02 Ex_ueg -0.1085639E-02 Ec_ueg -0.2563517E-03 Delta_ex -0.1273875E-02 Delta_ec 0.4061266E-03 Delta_et -0.2680015E-02 Pxc 0.4234960E+01 Qxc -0.3136645E+01 3,+1 57 3 -1 -1.815319 2.757563 -0.560713 Rho 0.1398155E+00 |GRAD(Rho)| 0.1143147E-11 GRAD(Rho)x 0.4121246E-12 GRAD(Rho)y -0.7584767E-12 GRAD(Rho)z -0.7494335E-12 Laplacian 0.5755265E+00 (-1/4)Del**2(Rho)) -0.1438816E+00 Diamond 0.1074410E+01 Metallicity 0.4509619E+01 Ellipticity 0.1287803E-01 Gb(Abramov) 0.2040630E+00 Vb(Abramov) -0.2642443E+00 Hb(Abramov) -0.6018135E-01 Ex_ueg -0.5359513E-01 Ec_ueg -0.7794779E-02 Delta_ex -0.6078002E-01 Delta_ec 0.1490719E-01 Delta_et -0.1965347E+00 Pxc 0.6875773E+01 Qxc -0.4077229E+01 3,-1 58 3 +1 -2.924320 -0.322012 -0.293604 Rho 0.6422153E-02 |GRAD(Rho)| 0.9629485E-17 GRAD(Rho)x 0.2550529E-17 GRAD(Rho)y -0.9088345E-17 GRAD(Rho)z 0.1903617E-17 Laplacian 0.2698485E-01 (-1/4)Del**2(Rho)) -0.6746212E-02 Diamond 0.6098358E-03 Metallicity 0.5666232E+00 Ellipticity -0.1429939E+01 Gb(Abramov) 0.5134568E-02 Vb(Abramov) -0.3522924E-02 Hb(Abramov) 0.1611644E-02 Ex_ueg -0.8816427E-03 Ec_ueg -0.2086180E-03 Delta_ex -0.1228807E-02 Delta_ec 0.5274226E-03 Delta_et -0.3212989E-02 Pxc 0.4226110E+01 Qxc -0.2329833E+01 3,+1 59 3 +3 -1.118105 1.110185 -1.131377 Rho 0.5499656E-02 |GRAD(Rho)| 0.2229088E-11 GRAD(Rho)x -0.2226863E-11 GRAD(Rho)y -0.6617406E-14 GRAD(Rho)z 0.9934749E-13 Laplacian 0.2144801E-01 (-1/4)Del**2(Rho)) -0.5362004E-02 Diamond 0.1657723E-03 Metallicity 0.5505355E+00 Ellipticity -0.2363737E+00 Gb(Abramov) 0.4066665E-02 Vb(Abramov) -0.2771326E-02 Hb(Abramov) 0.1295339E-02 Ex_ueg -0.7169669E-03 Ec_ueg -0.1684780E-03 Delta_ex -0.7569244E-03 Delta_ec 0.8732073E-04 Delta_et -0.7229501E-03 Pxc 0.4255552E+01 Qxc -0.8668324E+01 3,+3 60 3 -1 -3.243117 3.151169 -0.092615 Rho 0.2313973E+00 |GRAD(Rho)| 0.1138947E-13 GRAD(Rho)x 0.6353750E-14 GRAD(Rho)y -0.9451641E-14 GRAD(Rho)z 0.1281256E-15 Laplacian 0.8540228E+00 (-1/4)Del**2(Rho)) -0.2135057E+00 Diamond 0.2884421E+01 Metallicity 0.7037326E+01 Ellipticity 0.9731996E-02 Gb(Abramov) 0.3927553E+00 Vb(Abramov) -0.5720049E+00 Hb(Abramov) -0.1792496E+00 Ex_ueg -0.1049211E+00 Ec_ueg -0.1384646E-01 Delta_ex -0.1021716E+00 Delta_ec 0.1900773E-01 Delta_et -0.2626558E+00 Pxc 0.7577466E+01 Qxc -0.5375267E+01 3,-1 61 3 -1 -2.945591 0.009916 0.063818 Rho 0.6964574E-02 |GRAD(Rho)| 0.5515201E-15 GRAD(Rho)x 0.4412451E-15 GRAD(Rho)y -0.2141816E-15 GRAD(Rho)z -0.2521971E-15 Laplacian 0.2765225E-01 (-1/4)Del**2(Rho)) -0.6913063E-02 Diamond 0.1188769E-02 Metallicity 0.6329561E+00 Ellipticity 0.7499112E+00 Gb(Abramov) 0.5337986E-02 Vb(Abramov) -0.3762909E-02 Hb(Abramov) 0.1575077E-02 Ex_ueg -0.9823008E-03 Ec_ueg -0.2324120E-03 Delta_ex -0.1576291E-02 Delta_ec 0.1064156E-02 Delta_et -0.6307683E-02 Pxc 0.4226549E+01 Qxc -0.1481260E+01 3,-1 62 3 +1 -2.942636 0.251660 0.317891 Rho 0.6727073E-02 |GRAD(Rho)| 0.1007040E-16 GRAD(Rho)x 0.1525806E-17 GRAD(Rho)y 0.5945836E-18 GRAD(Rho)z 0.9936361E-17 Laplacian 0.2875373E-01 (-1/4)Del**2(Rho)) -0.7188432E-02 Diamond 0.7949486E-03 Metallicity 0.5745078E+00 Ellipticity -0.1749394E+01 Gb(Abramov) 0.5480590E-02 Vb(Abramov) -0.3772747E-02 Hb(Abramov) 0.1707842E-02 Ex_ueg -0.9378929E-03 Ec_ueg -0.2219765E-03 Delta_ex -0.1387842E-02 Delta_ec 0.6770229E-03 Delta_et -0.4106584E-02 Pxc 0.4225190E+01 Qxc -0.2049919E+01 3,+1 63 3 +3 -2.285230 -0.014263 0.055070 Rho 0.5605705E-02 |GRAD(Rho)| 0.3001204E-16 GRAD(Rho)x 0.2487946E-16 GRAD(Rho)y -0.1342442E-16 GRAD(Rho)z -0.1007572E-16 Laplacian 0.2323558E-01 (-1/4)Del**2(Rho)) -0.5808894E-02 Diamond 0.2408627E-03 Metallicity 0.5246184E+00 Ellipticity -0.4090749E+00 Gb(Abramov) 0.4380505E-02 Vb(Abramov) -0.2952116E-02 Hb(Abramov) 0.1428389E-02 Ex_ueg -0.7354595E-03 Ec_ueg -0.1730712E-03 Delta_ex -0.8694670E-03 Delta_ec 0.1750205E-03 Delta_et -0.1205511E-02 Pxc 0.4249462E+01 Qxc -0.4967800E+01 3,+3 64 3 -1 -3.213664 -0.056647 3.247081 Rho 0.2351104E+00 |GRAD(Rho)| 0.1575950E-14 GRAD(Rho)x 0.9907439E-15 GRAD(Rho)y 0.2451652E-15 GRAD(Rho)z -0.1200808E-14 Laplacian 0.8690665E+00 (-1/4)Del**2(Rho)) -0.2172666E+00 Diamond 0.2991281E+01 Metallicity 0.7101441E+01 Ellipticity 0.1177203E-02 Gb(Abramov) 0.4019954E+00 Vb(Abramov) -0.5867243E+00 Hb(Abramov) -0.1847288E+00 Ex_ueg -0.1071719E+00 Ec_ueg -0.1410176E-01 Delta_ex -0.1043994E+00 Delta_ec 0.1924551E-01 Delta_et -0.2660816E+00 Pxc 0.7599891E+01 Qxc -0.5424613E+01 3,-1 65 3 -1 -3.298160 0.112429 -3.147882 Rho 0.2279091E+00 |GRAD(Rho)| 0.7013989E-15 GRAD(Rho)x -0.5158634E-15 GRAD(Rho)y 0.3441258E-15 GRAD(Rho)z -0.3277543E-15 Laplacian 0.8448463E+00 (-1/4)Del**2(Rho)) -0.2112116E+00 Diamond 0.2807779E+01 Metallicity 0.6935935E+01 Ellipticity 0.2127101E-01 Gb(Abramov) 0.3849660E+00 Vb(Abramov) -0.5587204E+00 Hb(Abramov) -0.1737544E+00 Ex_ueg -0.1028176E+00 Ec_ueg -0.1360731E-01 Delta_ex -0.1007098E+00 Delta_ec 0.1894813E-01 Delta_et -0.2619107E+00 Pxc 0.7556054E+01 Qxc -0.5315024E+01 3,-1 66 3 -1 -1.781321 -0.597815 -1.796026 Rho 0.5239918E-01 |GRAD(Rho)| 0.1945069E-15 GRAD(Rho)x 0.7448723E-16 GRAD(Rho)y -0.6622612E-16 GRAD(Rho)z 0.1670290E-15 Laplacian 0.2097779E+00 (-1/4)Del**2(Rho)) -0.5244448E-01 Diamond 0.1149900E+00 Metallicity 0.2410243E+01 Ellipticity 0.1497479E-01 Gb(Abramov) 0.5603031E-01 Vb(Abramov) -0.5961614E-01 Hb(Abramov) -0.3585832E-02 Ex_ueg -0.1448164E-01 Ec_ueg -0.2547915E-02 Delta_ex -0.1753954E-01 Delta_ec 0.6367745E-02 Delta_et -0.6800912E-01 Pxc 0.5683722E+01 Qxc -0.2754436E+01 3,-1 67 3 +1 -1.675963 0.497462 -0.497276 Rho 0.1041490E-01 |GRAD(Rho)| 0.1843948E-16 GRAD(Rho)x 0.1463665E-16 GRAD(Rho)y 0.1750202E-17 GRAD(Rho)z 0.1107789E-16 Laplacian 0.4002283E-01 (-1/4)Del**2(Rho)) -0.1000571E-01 Diamond 0.1405854E-02 Metallicity 0.8551920E+00 Ellipticity -0.1570080E+01 Gb(Abramov) 0.8096604E-02 Vb(Abramov) -0.6187502E-02 Hb(Abramov) 0.1909102E-02 Ex_ueg -0.1679803E-02 Ec_ueg -0.3868986E-03 Delta_ex -0.1925219E-02 Delta_ec 0.5724918E-03 Delta_et -0.4102038E-02 Pxc 0.4341714E+01 Qxc -0.3362876E+01 3,+1 68 3 -1 -3.013216 0.868420 2.045822 Rho 0.1433986E+00 |GRAD(Rho)| 0.2377840E-15 GRAD(Rho)x 0.1867403E-15 GRAD(Rho)y -0.7420009E-16 GRAD(Rho)z 0.1271363E-15 Laplacian 0.5627416E+00 (-1/4)Del**2(Rho)) -0.1406854E+00 Diamond 0.1077927E+01 Metallicity 0.4810747E+01 Ellipticity 0.5112783E-01 Gb(Abramov) 0.2065906E+00 Vb(Abramov) -0.2724958E+00 Hb(Abramov) -0.6590518E-01 Ex_ueg -0.5543428E-01 Ec_ueg -0.8022280E-02 Delta_ex -0.5974424E-01 Delta_ec 0.1439115E-01 Delta_et -0.1902460E+00 Pxc 0.6910041E+01 Qxc -0.4151457E+01 3,-1 69 3 +1 -2.204386 1.273380 1.207964 Rho 0.2796101E-01 |GRAD(Rho)| 0.9550618E-10 GRAD(Rho)x 0.2395961E-10 GRAD(Rho)y -0.6959787E-10 GRAD(Rho)z 0.6085642E-10 Laplacian 0.1109784E+00 (-1/4)Del**2(Rho)) -0.2774460E-01 Diamond 0.1740116E-01 Metallicity 0.1599421E+01 Ellipticity -0.5075293E+01 Gb(Abramov) 0.2589228E-01 Vb(Abramov) -0.2403996E-01 Hb(Abramov) 0.1852320E-02 Ex_ueg -0.6267901E-02 Ec_ueg -0.1238921E-02 Delta_ex -0.7156191E-02 Delta_ec 0.1961236E-02 Delta_et -0.1777665E-01 Pxc 0.5059160E+01 Qxc -0.3648817E+01 3,+1 70 3 -1 0.240404 -1.348555 -1.901390 Rho 0.5916563E-02 |GRAD(Rho)| 0.2593436E-14 GRAD(Rho)x -0.2160207E-14 GRAD(Rho)y -0.5193295E-15 GRAD(Rho)z 0.1337802E-14 Laplacian 0.2329865E-01 (-1/4)Del**2(Rho)) -0.5824663E-02 Diamond 0.8055731E-03 Metallicity 0.5724420E+00 Ellipticity 0.1401396E+01 Gb(Abramov) 0.4438823E-02 Vb(Abramov) -0.3052982E-02 Hb(Abramov) 0.1385841E-02 Ex_ueg -0.7903347E-03 Ec_ueg -0.1865670E-03 Delta_ex -0.1289263E-02 Delta_ec 0.8981784E-03 Delta_et -0.5065281E-02 Pxc 0.4236197E+01 Qxc -0.1435419E+01 3,-1 71 3 +1 1.393244 2.124113 -1.045364 Rho 0.2620416E-01 |GRAD(Rho)| 0.1128325E-14 GRAD(Rho)x 0.8452103E-15 GRAD(Rho)y 0.1897753E-15 GRAD(Rho)z 0.7229950E-15 Laplacian 0.1007693E+00 (-1/4)Del**2(Rho)) -0.2519232E-01 Diamond 0.1308518E-01 Metallicity 0.1580891E+01 Ellipticity -0.2998455E+01 Gb(Abramov) 0.2343260E-01 Vb(Abramov) -0.2167288E-01 Hb(Abramov) 0.1759720E-02 Ex_ueg -0.5748378E-02 Ec_ueg -0.1149531E-02 Delta_ex -0.6247089E-02 Delta_ec 0.1532188E-02 Delta_et -0.1371600E-01 Pxc 0.5000630E+01 Qxc -0.4077235E+01 3,+1 72 3 -1 -3.292489 -3.130698 0.108545 Rho 0.2355007E+00 |GRAD(Rho)| 0.3288840E-13 GRAD(Rho)x 0.1692158E-13 GRAD(Rho)y 0.2814882E-13 GRAD(Rho)z 0.1718000E-14 Laplacian 0.8818409E+00 (-1/4)Del**2(Rho)) -0.2204602E+00 Diamond 0.3034255E+01 Metallicity 0.7017943E+01 Ellipticity 0.1140749E-02 Gb(Abramov) 0.4048364E+00 Vb(Abramov) -0.5892125E+00 Hb(Abramov) -0.1843761E+00 Ex_ueg -0.1074091E+00 Ec_ueg -0.1412864E-01 Delta_ex -0.1059413E+00 Delta_ec 0.1945007E-01 Delta_et -0.2686289E+00 Pxc 0.7602227E+01 Qxc -0.5446835E+01 3,-1 73 3 +1 3.042795 -0.051553 0.067301 Rho 0.4600274E-02 |GRAD(Rho)| 0.1658169E-16 GRAD(Rho)x 0.6305501E-18 GRAD(Rho)y 0.1322662E-16 GRAD(Rho)z 0.9980559E-17 Laplacian 0.1794682E-01 (-1/4)Del**2(Rho)) -0.4486704E-02 Diamond 0.4076290E-03 Metallicity 0.4885758E+00 Ellipticity -0.1101666E+02 Gb(Abramov) 0.3356485E-02 Vb(Abramov) -0.2226267E-02 Hb(Abramov) 0.1130219E-02 Ex_ueg -0.5650628E-03 Ec_ueg -0.1297517E-03 Delta_ex -0.9128629E-03 Delta_ec 0.6270930E-03 Delta_et -0.3296150E-02 Pxc 0.4354953E+01 Qxc -0.1455706E+01 3,+1 74 3 -1 -2.776695 1.756582 -0.516326 Rho 0.1755712E+00 |GRAD(Rho)| 0.7884845E-15 GRAD(Rho)x -0.2792498E-16 GRAD(Rho)y -0.3380813E-15 GRAD(Rho)z -0.7117787E-15 Laplacian 0.7285542E+00 (-1/4)Del**2(Rho)) -0.1821385E+00 Diamond 0.1755348E+01 Metallicity 0.5206828E+01 Ellipticity 0.1264141E-01 Gb(Abramov) 0.2794864E+00 Vb(Abramov) -0.3768342E+00 Hb(Abramov) -0.9734784E-01 Ex_ueg -0.7260881E-01 Ec_ueg -0.1010007E-01 Delta_ex -0.8113062E-01 Delta_ec 0.1735110E-01 Delta_et -0.2343880E+00 Pxc 0.7188943E+01 Qxc -0.4675820E+01 3,-1 75 3 -1 -1.747449 1.702568 0.541370 Rho 0.4787583E-01 |GRAD(Rho)| 0.8960901E-16 GRAD(Rho)x -0.8711353E-16 GRAD(Rho)y 0.2085480E-16 GRAD(Rho)z -0.2466772E-17 Laplacian 0.1923821E+00 (-1/4)Del**2(Rho)) -0.4809552E-01 Diamond 0.9083132E-01 Metallicity 0.2261045E+01 Ellipticity 0.3725061E-01 Gb(Abramov) 0.5018803E-01 Vb(Abramov) -0.5228054E-01 Hb(Abramov) -0.2092512E-02 Ex_ueg -0.1283926E-01 Ec_ueg -0.2297798E-02 Delta_ex -0.1561317E-01 Delta_ec 0.5644106E-02 Delta_et -0.5882055E-01 Pxc 0.5587638E+01 Qxc -0.2766280E+01 3,-1 76 3 -1 -3.023611 1.969620 0.878657 Rho 0.1268385E+00 |GRAD(Rho)| 0.1161433E-15 GRAD(Rho)x -0.9206909E-16 GRAD(Rho)y -0.4164014E-16 GRAD(Rho)z 0.5725943E-16 Laplacian 0.4900680E+00 (-1/4)Del**2(Rho)) -0.1225170E+00 Diamond 0.8161135E+00 Metallicity 0.4502377E+01 Ellipticity 0.3001064E-01 Gb(Abramov) 0.1736143E+00 Vb(Abramov) -0.2247116E+00 Hb(Abramov) -0.5109729E-01 Ex_ueg -0.4706735E-01 Ec_ueg -0.6977778E-02 Delta_ex -0.5057908E-01 Delta_ec 0.1304475E-01 Delta_et -0.1694237E+00 Pxc 0.6745321E+01 Qxc -0.3877353E+01 3,-1 77 3 +1 -1.801606 -1.714858 1.782874 Rho 0.1265306E-01 |GRAD(Rho)| 0.1174390E-13 GRAD(Rho)x -0.6626359E-14 GRAD(Rho)y -0.6329646E-14 GRAD(Rho)z 0.7344809E-14 Laplacian 0.6359701E-01 (-1/4)Del**2(Rho)) -0.1589925E-01 Diamond 0.2685409E-02 Metallicity 0.7444505E+00 Ellipticity -0.1245508E+01 Gb(Abramov) 0.1257220E-01 Vb(Abramov) -0.9245153E-02 Hb(Abramov) 0.3327050E-02 Ex_ueg -0.2177606E-02 Ec_ueg -0.4897999E-03 Delta_ex -0.3155330E-02 Delta_ec 0.7989950E-03 Delta_et -0.6088852E-02 Pxc 0.4445908E+01 Qxc -0.3949124E+01 3,+1 78 3 -1 -3.045796 -2.004950 -0.860578 Rho 0.1468683E+00 |GRAD(Rho)| 0.4310983E-09 GRAD(Rho)x -0.1847257E-09 GRAD(Rho)y 0.2125941E-09 GRAD(Rho)z -0.3263831E-09 Laplacian 0.5773169E+00 (-1/4)Del**2(Rho)) -0.1443292E+00 Diamond 0.1142178E+01 Metallicity 0.4879916E+01 Ellipticity 0.6822770E-01 Gb(Abramov) 0.2136052E+00 Vb(Abramov) -0.2828812E+00 Hb(Abramov) -0.6927600E-01 Ex_ueg -0.5722983E-01 Ec_ueg -0.8243342E-02 Delta_ex -0.6169371E-01 Delta_ec 0.1475243E-01 Delta_et -0.1958631E+00 Pxc 0.6942552E+01 Qxc -0.4181936E+01 3,-1 79 3 +1 -0.234154 -0.490666 -3.073199 Rho 0.2885895E-02 |GRAD(Rho)| 0.4273106E-13 GRAD(Rho)x -0.3935698E-13 GRAD(Rho)y 0.1634531E-13 GRAD(Rho)z -0.3130904E-14 Laplacian 0.1097915E-01 (-1/4)Del**2(Rho)) -0.2744787E-02 Diamond 0.1016270E-03 Metallicity 0.3671516E+00 Ellipticity -0.1416756E+01 Gb(Abramov) 0.1997817E-02 Vb(Abramov) -0.1250847E-02 Hb(Abramov) 0.7469702E-03 Ex_ueg -0.3034537E-03 Ec_ueg -0.5710050E-04 Delta_ex -0.4529168E-03 Delta_ec 0.2739007E-03 Delta_et -0.1289799E-02 Pxc 0.5314380E+01 Qxc -0.1653580E+01 3,+1 80 3 +1 -0.598118 0.505194 -1.660647 Rho 0.9058915E-02 |GRAD(Rho)| 0.1056826E-13 GRAD(Rho)x 0.8407145E-14 GRAD(Rho)y -0.4109572E-14 GRAD(Rho)z -0.4911153E-14 Laplacian 0.3521030E-01 (-1/4)Del**2(Rho)) -0.8802576E-02 Diamond 0.1032659E-02 Metallicity 0.7704368E+00 Ellipticity -0.1497181E+01 Gb(Abramov) 0.6998689E-02 Vb(Abramov) -0.5194802E-02 Hb(Abramov) 0.1803887E-02 Ex_ueg -0.1394719E-02 Ec_ueg -0.3255597E-03 Delta_ex -0.1638806E-02 Delta_ec 0.5113607E-03 Delta_et -0.3529380E-02 Pxc 0.4284064E+01 Qxc -0.3204795E+01 3,+1 81 3 +1 -1.700848 -0.523565 0.553669 Rho 0.9597414E-02 |GRAD(Rho)| 0.2109886E-16 GRAD(Rho)x 0.1373824E-16 GRAD(Rho)y 0.1264269E-16 GRAD(Rho)z -0.9827759E-17 Laplacian 0.3682835E-01 (-1/4)Del**2(Rho)) -0.9207088E-02 Diamond 0.1149063E-02 Metallicity 0.8110008E+00 Ellipticity -0.1519761E+01 Gb(Abramov) 0.7382552E-02 Vb(Abramov) -0.5558015E-02 Hb(Abramov) 0.1824537E-02 Ex_ueg -0.1506344E-02 Ec_ueg -0.3498252E-03 Delta_ex -0.1731793E-02 Delta_ec 0.5212716E-03 Delta_et -0.3662065E-02 Pxc 0.4305989E+01 Qxc -0.3322247E+01 3,+1 82 3 -1 -2.186263 -0.851570 -3.263599 Rho 0.2264945E+00 |GRAD(Rho)| 0.5843209E-15 GRAD(Rho)x 0.1823357E-15 GRAD(Rho)y -0.2982640E-15 GRAD(Rho)z -0.4682127E-15 Laplacian 0.8826823E+00 (-1/4)Del**2(Rho)) -0.2206706E+00 Diamond 0.2867831E+01 Metallicity 0.6570091E+01 Ellipticity 0.1502874E-01 Gb(Abramov) 0.3887514E+00 Vb(Abramov) -0.5568321E+00 Hb(Abramov) -0.1680808E+00 Ex_ueg -0.1019675E+00 Ec_ueg -0.1351051E-01 Delta_ex -0.1047983E+00 Delta_ec 0.1938270E-01 Delta_et -0.2659930E+00 Pxc 0.7547272E+01 Qxc -0.5406793E+01 3,-1 83 3 -1 -2.786188 -0.521249 1.835694 Rho 0.1245883E+00 |GRAD(Rho)| 0.6869749E-14 GRAD(Rho)x 0.1082766E-14 GRAD(Rho)y 0.4319041E-14 GRAD(Rho)z 0.5231343E-14 Laplacian 0.5183587E+00 (-1/4)Del**2(Rho)) -0.1295897E+00 Diamond 0.8421625E+00 Metallicity 0.4131535E+01 Ellipticity 0.6887471E-02 Gb(Abramov) 0.1756272E+00 Vb(Abramov) -0.2216647E+00 Hb(Abramov) -0.4603750E-01 Ex_ueg -0.4595732E-01 Ec_ueg -0.6837245E-02 Delta_ex -0.5323563E-01 Delta_ec 0.1379488E-01 Delta_et -0.1785194E+00 Pxc 0.6721614E+01 Qxc -0.3859086E+01 3,-1 84 3 +1 -0.349771 -1.183041 -2.731466 Rho 0.3272564E-02 |GRAD(Rho)| 0.3033365E-16 GRAD(Rho)x -0.1935451E-16 GRAD(Rho)y -0.1109974E-17 GRAD(Rho)z -0.2333026E-16 Laplacian 0.1271661E-01 (-1/4)Del**2(Rho)) -0.3179152E-02 Diamond 0.1184622E-03 Metallicity 0.3908907E+00 Ellipticity -0.1332142E+01 Gb(Abramov) 0.2326552E-02 Vb(Abramov) -0.1473951E-02 Hb(Abramov) 0.8526006E-03 Ex_ueg -0.3588414E-03 Ec_ueg -0.7334883E-04 Delta_ex -0.5034336E-03 Delta_ec 0.2563134E-03 Delta_et -0.1284714E-02 Pxc 0.4892258E+01 Qxc -0.1964133E+01 3,+1 85 3 -1 -2.018930 0.876975 3.070989 Rho 0.1626033E+00 |GRAD(Rho)| 0.2029904E-12 GRAD(Rho)x -0.1162909E-12 GRAD(Rho)y -0.1481795E-12 GRAD(Rho)z -0.7565953E-13 Laplacian 0.6329941E+00 (-1/4)Del**2(Rho)) -0.1582485E+00 Diamond 0.1407334E+01 Metallicity 0.5273463E+01 Ellipticity 0.4292492E-01 Gb(Abramov) 0.2445853E+00 Vb(Abramov) -0.3309221E+00 Hb(Abramov) -0.8633679E-01 Ex_ueg -0.6554773E-01 Ec_ueg -0.9255131E-02 Delta_ex -0.6929336E-01 Delta_ec 0.1564308E-01 Delta_et -0.2102241E+00 Pxc 0.7082313E+01 Qxc -0.4429649E+01 3,-1 86 3 -1 -2.765084 0.482340 -1.805365 Rho 0.8781962E-01 |GRAD(Rho)| 0.6901881E-16 GRAD(Rho)x -0.2146127E-16 GRAD(Rho)y -0.4465558E-17 GRAD(Rho)z -0.6544515E-16 Laplacian 0.3711056E+00 (-1/4)Del**2(Rho)) -0.9277639E-01 Diamond 0.3945209E+00 Metallicity 0.3221822E+01 Ellipticity 0.7652062E-03 Gb(Abramov) 0.1116691E+00 Vb(Abramov) -0.1305618E+00 Hb(Abramov) -0.1889271E-01 Ex_ueg -0.2882972E-01 Ec_ueg -0.4593318E-02 Delta_ex -0.3509675E-01 Delta_ec 0.1064247E-01 Delta_et -0.1287055E+00 Pxc 0.6276447E+01 Qxc -0.3297802E+01 3,-1 87 3 +3 1.117893 1.081818 1.099434 Rho 0.4345838E-02 |GRAD(Rho)| 0.3054741E-12 GRAD(Rho)x 0.3044268E-12 GRAD(Rho)y 0.2150860E-13 GRAD(Rho)z 0.1327090E-13 Laplacian 0.1618109E-01 (-1/4)Del**2(Rho)) -0.4045274E-02 Diamond 0.9607753E-04 Metallicity 0.4928648E+00 Ellipticity -0.1558260E+00 Gb(Abramov) 0.3029145E-02 Vb(Abramov) -0.2013015E-02 Hb(Abramov) 0.1016129E-02 Ex_ueg -0.5237810E-03 Ec_ueg -0.1188711E-03 Delta_ex -0.5409372E-03 Delta_ec 0.7687966E-04 Delta_et -0.5774827E-03 Pxc 0.4406295E+01 Qxc -0.7036156E+01 3,+3 88 3 -1 -1.821669 -0.544225 2.818158 Rho 0.1501779E+00 |GRAD(Rho)| 0.3006271E-13 GRAD(Rho)x 0.2574677E-13 GRAD(Rho)y -0.7361733E-15 GRAD(Rho)z -0.1550254E-13 Laplacian 0.6297155E+00 (-1/4)Del**2(Rho)) -0.1574289E+00 Diamond 0.1268196E+01 Metallicity 0.4643145E+01 Ellipticity 0.2058635E-01 Gb(Abramov) 0.2267801E+00 Vb(Abramov) -0.2961313E+00 Hb(Abramov) -0.6935121E-01 Ex_ueg -0.5895579E-01 Ec_ueg -0.8454904E-02 Delta_ex -0.6754834E-01 Delta_ec 0.1579967E-01 Delta_et -0.2099599E+00 Pxc 0.6972970E+01 Qxc -0.4275300E+01 3,-1 89 3 -1 -1.823984 0.504309 -2.819148 Rho 0.1368675E+00 |GRAD(Rho)| 0.1743167E-15 GRAD(Rho)x 0.1685934E-15 GRAD(Rho)y 0.3114371E-16 GRAD(Rho)z -0.3150624E-16 Laplacian 0.5672322E+00 (-1/4)Del**2(Rho)) -0.1418081E+00 Diamond 0.1038144E+01 Metallicity 0.4415901E+01 Ellipticity 0.1581164E-01 Gb(Abramov) 0.1989071E+00 Vb(Abramov) -0.2560061E+00 Hb(Abramov) -0.5709904E-01 Ex_ueg -0.5209372E-01 Ec_ueg -0.7608219E-02 Delta_ex -0.5966204E-01 Delta_ec 0.1488870E-01 Delta_et -0.1958919E+00 Pxc 0.6847032E+01 Qxc -0.4007204E+01 3,-1 90 3 +1 0.288365 -1.552343 -1.752277 Rho 0.5849780E-02 |GRAD(Rho)| 0.1350303E-14 GRAD(Rho)x -0.6139424E-15 GRAD(Rho)y -0.1072665E-14 GRAD(Rho)z 0.5438596E-15 Laplacian 0.2281732E-01 (-1/4)Del**2(Rho)) -0.5704330E-02 Diamond 0.6065535E-03 Metallicity 0.5735630E+00 Ellipticity -0.2762677E+01 Gb(Abramov) 0.4348185E-02 Vb(Abramov) -0.2992041E-02 Hb(Abramov) 0.1356144E-02 Ex_ueg -0.7784627E-03 Ec_ueg -0.1836636E-03 Delta_ex -0.1131626E-02 Delta_ec 0.6504240E-03 Delta_et -0.3729521E-02 Pxc 0.4238524E+01 Qxc -0.1739829E+01 3,+1 91 3 +1 -0.561279 -0.566500 1.674132 Rho 0.8642351E-02 |GRAD(Rho)| 0.5390615E-16 GRAD(Rho)x 0.4396973E-16 GRAD(Rho)y -0.2318792E-16 GRAD(Rho)z -0.2085320E-16 Laplacian 0.3389361E-01 (-1/4)Del**2(Rho)) -0.8473403E-02 Diamond 0.9027173E-03 Metallicity 0.7399718E+00 Ellipticity -0.1427179E+01 Gb(Abramov) 0.6693949E-02 Vb(Abramov) -0.4914494E-02 Hb(Abramov) 0.1779455E-02 Ex_ueg -0.1309868E-02 Ec_ueg -0.3068754E-03 Delta_ex -0.1545658E-02 Delta_ec 0.4686163E-03 Delta_et -0.3213770E-02 Pxc 0.4268404E+01 Qxc -0.3298346E+01 3,+1 92 3 -1 -1.734991 0.542066 1.769281 Rho 0.4875781E-01 |GRAD(Rho)| 0.1112983E-15 GRAD(Rho)x 0.1047017E-15 GRAD(Rho)y 0.3603384E-16 GRAD(Rho)z 0.1124352E-16 Laplacian 0.1956798E+00 (-1/4)Del**2(Rho)) -0.4891995E-01 Diamond 0.9499638E-01 Metallicity 0.2291610E+01 Ellipticity 0.1311899E-01 Gb(Abramov) 0.5129755E-01 Vb(Abramov) -0.5367514E-01 Hb(Abramov) -0.2377592E-02 Ex_ueg -0.1315560E-01 Ec_ueg -0.2346326E-02 Delta_ex -0.1596677E-01 Delta_ec 0.5762834E-02 Delta_et -0.6035118E-01 Pxc 0.5606893E+01 Qxc -0.2770646E+01 3,-1 93 3 +1 -0.569990 1.631487 -0.535612 Rho 0.8715021E-02 |GRAD(Rho)| 0.8117737E-17 GRAD(Rho)x 0.3040521E-17 GRAD(Rho)y -0.7386405E-17 GRAD(Rho)z -0.1447033E-17 Laplacian 0.3359549E-01 (-1/4)Del**2(Rho)) -0.8398874E-02 Diamond 0.9006915E-03 Metallicity 0.7570296E+00 Ellipticity -0.1444286E+01 Gb(Abramov) 0.6658948E-02 Vb(Abramov) -0.4919023E-02 Hb(Abramov) 0.1739925E-02 Ex_ueg -0.1324574E-02 Ec_ueg -0.3101294E-03 Delta_ex -0.1533397E-02 Delta_ec 0.4610491E-03 Delta_et -0.3171491E-02 Pxc 0.4271037E+01 Qxc -0.3325886E+01 3,+1 94 3 -1 -2.033815 -3.099647 -0.715671 Rho 0.1418043E+00 |GRAD(Rho)| 0.9210391E-16 GRAD(Rho)x -0.4180955E-16 GRAD(Rho)y -0.5723232E-16 GRAD(Rho)z -0.5881797E-16 Laplacian 0.5258708E+00 (-1/4)Del**2(Rho)) -0.1314677E+00 Diamond 0.1017228E+01 Metallicity 0.5053003E+01 Ellipticity 0.1124253E+00 Gb(Abramov) 0.1983629E+00 Vb(Abramov) -0.2652581E+00 Hb(Abramov) -0.6689521E-01 Ex_ueg -0.5461401E-01 Ec_ueg -0.7920950E-02 Delta_ex -0.5592834E-01 Delta_ec 0.1393304E-01 Delta_et -0.1848420E+00 Pxc 0.6894881E+01 Qxc -0.4014081E+01 3,-1 95 3 -1 -1.863317 -2.739447 0.600876 Rho 0.1375352E+00 |GRAD(Rho)| 0.3592689E-15 GRAD(Rho)x -0.2881403E-15 GRAD(Rho)y 0.1495996E-15 GRAD(Rho)z -0.1538483E-15 Laplacian 0.5705186E+00 (-1/4)Del**2(Rho)) -0.1426296E+00 Diamond 0.1043355E+01 Metallicity 0.4426220E+01 Ellipticity 0.1835106E-01 Gb(Abramov) 0.2003048E+00 Vb(Abramov) -0.2579799E+00 Hb(Abramov) -0.5767515E-01 Ex_ueg -0.5243285E-01 Ec_ueg -0.7650425E-02 Delta_ex -0.6000106E-01 Delta_ec 0.1481912E-01 Delta_et -0.1948476E+00 Pxc 0.6853586E+01 Qxc -0.4048894E+01 3,-1 96 3 +1 -1.760837 1.717444 -1.721991 Rho 0.1199411E-01 |GRAD(Rho)| 0.6481819E-17 GRAD(Rho)x -0.2802752E-18 GRAD(Rho)y -0.3606253E-17 GRAD(Rho)z -0.5378695E-17 Laplacian 0.5915878E-01 (-1/4)Del**2(Rho)) -0.1478970E-01 Diamond 0.2346446E-02 Metallicity 0.7320495E+00 Ellipticity -0.1266526E+01 Gb(Abramov) 0.1166426E-01 Vb(Abramov) -0.8538828E-02 Hb(Abramov) 0.3125433E-02 Ex_ueg -0.2027724E-02 Ec_ueg -0.4592970E-03 Delta_ex -0.2901043E-02 Delta_ec 0.7562847E-03 Delta_et -0.5679107E-02 Pxc 0.4414844E+01 Qxc -0.3835915E+01 3,+1 97 3 -1 -1.806303 -1.723870 -0.536366 Rho 0.5510135E-01 |GRAD(Rho)| 0.4241965E-14 GRAD(Rho)x -0.3662389E-14 GRAD(Rho)y -0.2065724E-14 GRAD(Rho)z 0.5603186E-15 Laplacian 0.2189336E+00 (-1/4)Del**2(Rho)) -0.5473341E-01 Diamond 0.1262052E+00 Metallicity 0.2511333E+01 Ellipticity 0.1844643E-01 Gb(Abramov) 0.5939791E-01 Vb(Abramov) -0.6406242E-01 Hb(Abramov) -0.4664504E-02 Ex_ueg -0.1548584E-01 Ec_ueg -0.2698739E-02 Delta_ex -0.1845185E-01 Delta_ec 0.6488248E-02 Delta_et -0.7014968E-01 Pxc 0.5738175E+01 Qxc -0.2843888E+01 3,-1 98 3 +1 -0.628001 -1.652730 0.540937 Rho 0.9250676E-02 |GRAD(Rho)| 0.2690160E-16 GRAD(Rho)x 0.2217135E-16 GRAD(Rho)y 0.1514601E-16 GRAD(Rho)z -0.1651125E-17 Laplacian 0.3516994E-01 (-1/4)Del**2(Rho)) -0.8792486E-02 Diamond 0.1048328E-02 Metallicity 0.7987251E+00 Ellipticity -0.1520100E+01 Gb(Abramov) 0.7032120E-02 Vb(Abramov) -0.5271755E-02 Hb(Abramov) 0.1760365E-02 Ex_ueg -0.1434222E-02 Ec_ueg -0.3341864E-03 Delta_ex -0.1640305E-02 Delta_ec 0.5012620E-03 Delta_et -0.3485752E-02 Pxc 0.4291683E+01 Qxc -0.3272350E+01 3,+1 99 3 -1 -2.035941 2.983158 0.841917 Rho 0.1448314E+00 |GRAD(Rho)| 0.2937391E-15 GRAD(Rho)x 0.2176942E-15 GRAD(Rho)y 0.6219255E-16 GRAD(Rho)z 0.1871468E-15 Laplacian 0.5722091E+00 (-1/4)Del**2(Rho)) -0.1430523E+00 Diamond 0.1103575E+01 Metallicity 0.4810196E+01 Ellipticity 0.2596943E-01 Gb(Abramov) 0.2100531E+00 Vb(Abramov) -0.2770539E+00 Hb(Abramov) -0.6700082E-01 Ex_ueg -0.5617398E-01 Ec_ueg -0.8113472E-02 Delta_ex -0.6083828E-01 Delta_ec 0.1449215E-01 Delta_et -0.1916261E+00 Pxc 0.6923544E+01 Qxc -0.4198017E+01 3,-1 100 3 +3 1.021392 -1.122929 -1.280299 Rho 0.4181582E-02 |GRAD(Rho)| 0.2827706E-13 GRAD(Rho)x -0.1955522E-13 GRAD(Rho)y 0.1962373E-13 GRAD(Rho)z -0.5665207E-14 Laplacian 0.1573694E-01 (-1/4)Del**2(Rho)) -0.3934234E-02 Diamond 0.1106965E-03 Metallicity 0.4752557E+00 Ellipticity -0.5544380E+00 Gb(Abramov) 0.2934451E-02 Vb(Abramov) -0.1934667E-02 Hb(Abramov) 0.9997835E-03 Ex_ueg -0.4975528E-03 Ec_ueg -0.1118648E-03 Delta_ex -0.5465604E-03 Delta_ec 0.1211472E-03 Delta_et -0.7772453E-03 Pxc 0.4447807E+01 Qxc -0.4511538E+01 3,+3 101 3 -1 0.033756 2.972554 -0.032732 Rho 0.5628021E-02 |GRAD(Rho)| 0.7621603E-12 GRAD(Rho)x -0.7497787E-12 GRAD(Rho)y 0.1013809E-12 GRAD(Rho)z -0.9188137E-13 Laplacian 0.2223816E-01 (-1/4)Del**2(Rho)) -0.5559541E-02 Diamond 0.6952913E-03 Metallicity 0.5517898E+00 Ellipticity 0.2807000E+01 Gb(Abramov) 0.4217644E-02 Vb(Abramov) -0.2875746E-02 Hb(Abramov) 0.1341897E-02 Ex_ueg -0.7393657E-03 Ec_ueg -0.1740384E-03 Delta_ex -0.1200614E-02 Delta_ec 0.8238022E-03 Delta_et -0.4586362E-02 Pxc 0.4248290E+01 Qxc -0.1457405E+01 3,-1 102 3 +1 -1.050650 1.434726 2.219491 Rho 0.2488656E-01 |GRAD(Rho)| 0.1962421E-16 GRAD(Rho)x -0.1462315E-16 GRAD(Rho)y -0.1287734E-16 GRAD(Rho)z -0.2333872E-17 Laplacian 0.9447081E-01 (-1/4)Del**2(Rho)) -0.2361770E-01 Diamond 0.1048421E-01 Metallicity 0.1547357E+01 Ellipticity -0.2295683E+01 Gb(Abramov) 0.2183597E-01 Vb(Abramov) -0.2005424E-01 Hb(Abramov) 0.1781733E-02 Ex_ueg -0.5366259E-02 Ec_ueg -0.1083004E-02 Delta_ex -0.5672373E-02 Delta_ec 0.1253036E-02 Delta_et -0.1113079E-01 Pxc 0.4954974E+01 Qxc -0.4526903E+01 3,+1 103 3 +1 0.533100 0.504058 1.706410 Rho 0.7488650E-02 |GRAD(Rho)| 0.3639935E-15 GRAD(Rho)x -0.3216787E-15 GRAD(Rho)y 0.8088198E-16 GRAD(Rho)z -0.1499072E-15 Laplacian 0.2821083E-01 (-1/4)Del**2(Rho)) -0.7052707E-02 Diamond 0.6128223E-03 Metallicity 0.7001695E+00 Ellipticity -0.1407775E+01 Gb(Abramov) 0.5524820E-02 Vb(Abramov) -0.3996933E-02 Hb(Abramov) 0.1527887E-02 Ex_ueg -0.1082073E-02 Ec_ueg -0.2555330E-03 Delta_ex -0.1237924E-02 Delta_ec 0.3848829E-03 Delta_et -0.2548502E-02 Pxc 0.4234571E+01 Qxc -0.3216365E+01 3,+1 104 3 +1 -0.233504 -2.314456 -1.080788 Rho 0.8217625E-02 |GRAD(Rho)| 0.3275745E-16 GRAD(Rho)x -0.1284805E-16 GRAD(Rho)y -0.2979753E-16 GRAD(Rho)z -0.4481665E-17 Laplacian 0.3269754E-01 (-1/4)Del**2(Rho)) -0.8174385E-02 Diamond 0.1100821E-02 Metallicity 0.7052481E+00 Ellipticity -0.1890536E+01 Gb(Abramov) 0.6410418E-02 Vb(Abramov) -0.4646451E-02 Hb(Abramov) 0.1763967E-02 Ex_ueg -0.1224748E-02 Ec_ueg -0.2879042E-03 Delta_ex -0.1609956E-02 Delta_ec 0.6980477E-03 Delta_et -0.4519637E-02 Pxc 0.4254013E+01 Qxc -0.2306370E+01 3,+1 105 3 +3 -0.099450 -2.349223 -0.065941 Rho 0.4451508E-02 |GRAD(Rho)| 0.5611246E-17 GRAD(Rho)x -0.2428378E-17 GRAD(Rho)y -0.5055169E-17 GRAD(Rho)z 0.1852484E-18 Laplacian 0.1803626E-01 (-1/4)Del**2(Rho)) -0.4509066E-02 Diamond 0.1446320E-03 Metallicity 0.4602337E+00 Ellipticity -0.3416979E+00 Gb(Abramov) 0.3351915E-02 Vb(Abramov) -0.2194763E-02 Hb(Abramov) 0.1157151E-02 Ex_ueg -0.5408306E-03 Ec_ueg -0.1233858E-03 Delta_ex -0.6437592E-03 Delta_ec 0.1514450E-03 Delta_et -0.9645042E-03 Pxc 0.4383247E+01 Qxc -0.4250779E+01 3,+3 106 3 +1 0.091716 -2.955020 0.176948 Rho 0.5301696E-02 |GRAD(Rho)| 0.1801495E-14 GRAD(Rho)x 0.1338884E-14 GRAD(Rho)y -0.2156540E-15 GRAD(Rho)z 0.1185861E-14 Laplacian 0.2150201E-01 (-1/4)Del**2(Rho)) -0.5375502E-02 Diamond 0.5079836E-03 Metallicity 0.5166052E+00 Ellipticity -0.2546261E+01 Gb(Abramov) 0.4046504E-02 Vb(Abramov) -0.2717505E-02 Hb(Abramov) 0.1328999E-02 Ex_ueg -0.6827653E-03 Ec_ueg -0.1599190E-03 Delta_ex -0.1051601E-02 Delta_ec 0.6241189E-03 Delta_et -0.3470884E-02 Pxc 0.4269444E+01 Qxc -0.1684936E+01 3,+1 107 3 -1 0.001574 -3.289928 -1.191056 Rho 0.3429728E-01 |GRAD(Rho)| 0.1580403E-13 GRAD(Rho)x 0.1554063E-13 GRAD(Rho)y 0.2324463E-14 GRAD(Rho)z -0.1689131E-14 Laplacian 0.1021069E+00 (-1/4)Del**2(Rho)) -0.2552673E-01 Diamond 0.4821386E-01 Metallicity 0.2443379E+01 Ellipticity 0.6802660E-02 Gb(Abramov) 0.2741307E-01 Vb(Abramov) -0.2929940E-01 Hb(Abramov) -0.1886338E-02 Ex_ueg -0.8229966E-02 Ec_ueg -0.1567322E-02 Delta_ex -0.8879816E-02 Delta_ec 0.5239140E-02 Delta_et -0.4997685E-01 Pxc 0.5250972E+01 Qxc -0.1694900E+01 3,-1 108 3 -1 -0.594178 -2.768000 1.840175 Rho 0.1373665E+00 |GRAD(Rho)| 0.3161395E-15 GRAD(Rho)x 0.2390259E-15 GRAD(Rho)y -0.1209224E-16 GRAD(Rho)z 0.2065541E-15 Laplacian 0.5795864E+00 (-1/4)Del**2(Rho)) -0.1448966E+00 Diamond 0.1054964E+01 Metallicity 0.4348068E+01 Ellipticity 0.1651600E-01 Gb(Abramov) 0.2016011E+00 Vb(Abramov) -0.2583056E+00 Hb(Abramov) -0.5670451E-01 Ex_ueg -0.5234712E-01 Ec_ueg -0.7639759E-02 Delta_ex -0.6089832E-01 Delta_ec 0.1499087E-01 Delta_et -0.1969306E+00 Pxc 0.6851933E+01 Qxc -0.4062359E+01 3,-1 109 3 +1 1.962170 -2.033966 2.050219 Rho 0.1202238E-01 |GRAD(Rho)| 0.1399207E-16 GRAD(Rho)x 0.1127585E-16 GRAD(Rho)y 0.5491724E-17 GRAD(Rho)z -0.6202751E-17 Laplacian 0.5382764E-01 (-1/4)Del**2(Rho)) -0.1345691E-01 Diamond 0.1634679E-02 Metallicity 0.8077157E+00 Ellipticity -0.1106049E+01 Gb(Abramov) 0.1078283E-01 Vb(Abramov) -0.8108755E-02 Hb(Abramov) 0.2674077E-02 Ex_ueg -0.2034100E-02 Ec_ueg -0.4606022E-03 Delta_ex -0.2495045E-02 Delta_ec 0.4270836E-03 Delta_et -0.3412384E-02 Pxc 0.4416175E+01 Qxc -0.5842053E+01 3,+1 110 3 +1 2.017697 1.972778 -2.031860 Rho 0.1181456E-01 |GRAD(Rho)| 0.1059003E-13 GRAD(Rho)x -0.6540270E-14 GRAD(Rho)y -0.5746180E-14 GRAD(Rho)z 0.6029515E-14 Laplacian 0.5349576E-01 (-1/4)Del**2(Rho)) -0.1337394E-01 Diamond 0.1600948E-02 Metallicity 0.7894476E+00 Ellipticity -0.1105567E+01 Gb(Abramov) 0.1067563E-01 Vb(Abramov) -0.7977322E-02 Hb(Abramov) 0.2698309E-02 Ex_ueg -0.1987355E-02 Ec_ueg -0.4510154E-03 Delta_ex -0.2472042E-02 Delta_ec 0.4323891E-03 Delta_et -0.3432846E-02 Pxc 0.4406400E+01 Qxc -0.5717170E+01 3,+1 111 3 +1 -1.047060 2.170740 1.443830 Rho 0.2633434E-01 |GRAD(Rho)| 0.4423618E-16 GRAD(Rho)x -0.2234966E-17 GRAD(Rho)y -0.4417596E-16 GRAD(Rho)z 0.5736398E-18 Laplacian 0.1007177E+00 (-1/4)Del**2(Rho)) -0.2517942E-01 Diamond 0.1252077E-01 Metallicity 0.1594820E+01 Ellipticity -0.2571973E+01 Gb(Abramov) 0.2347905E-01 Vb(Abramov) -0.2177868E-01 Hb(Abramov) 0.1700367E-02 Ex_ueg -0.5786487E-02 Ec_ueg -0.1156128E-02 Delta_ex -0.6186707E-02 Delta_ec 0.1414260E-02 Delta_et -0.1270030E-01 Pxc 0.5005057E+01 Qxc -0.4374518E+01 3,+1 112 3 -1 -0.875710 2.016866 3.051683 Rho 0.1047854E+00 |GRAD(Rho)| 0.3681366E-13 GRAD(Rho)x 0.2823855E-13 GRAD(Rho)y 0.2100424E-13 GRAD(Rho)z -0.1080054E-13 Laplacian 0.4336910E+00 (-1/4)Del**2(Rho)) -0.1084227E+00 Diamond 0.5913017E+00 Metallicity 0.3700559E+01 Ellipticity 0.5653480E-02 Gb(Abramov) 0.1391526E+00 Vb(Abramov) -0.1698825E+00 Hb(Abramov) -0.3072987E-01 Ex_ueg -0.3648542E-01 Ec_ueg -0.5615834E-02 Delta_ex -0.4305995E-01 Delta_ec 0.1256059E-01 Delta_et -0.1582441E+00 Pxc 0.6496883E+01 Qxc -0.3428180E+01 3,-1 113 3 +1 -0.198507 2.973610 0.205710 Rho 0.5525778E-02 |GRAD(Rho)| 0.2283261E-14 GRAD(Rho)x -0.1629231E-14 GRAD(Rho)y 0.2083966E-15 GRAD(Rho)z 0.1586019E-14 Laplacian 0.2226604E-01 (-1/4)Del**2(Rho)) -0.5566511E-02 Diamond 0.5274930E-03 Metallicity 0.5345141E+00 Ellipticity -0.2187982E+01 Gb(Abramov) 0.4206904E-02 Vb(Abramov) -0.2847297E-02 Hb(Abramov) 0.1359607E-02 Ex_ueg -0.7215111E-03 Ec_ueg -0.1696089E-03 Delta_ex -0.1074748E-02 Delta_ec 0.6046846E-03 Delta_et -0.3422459E-02 Pxc 0.4253970E+01 Qxc -0.1777369E+01 3,+1 114 3 +1 1.388144 -1.051751 2.190652 Rho 0.2388114E-01 |GRAD(Rho)| 0.3656292E-16 GRAD(Rho)x 0.2376718E-17 GRAD(Rho)y -0.4543753E-17 GRAD(Rho)z 0.3620155E-16 Laplacian 0.9005210E-01 (-1/4)Del**2(Rho)) -0.2251302E-01 Diamond 0.9416922E-02 Metallicity 0.1515460E+01 Ellipticity -0.2251899E+01 Gb(Abramov) 0.2069495E-01 Vb(Abramov) -0.1887687E-01 Hb(Abramov) 0.1818076E-02 Ex_ueg -0.5079160E-02 Ec_ueg -0.1032548E-02 Delta_ex -0.5343272E-02 Delta_ec 0.1189769E-02 Delta_et -0.1047407E-01 Pxc 0.4919054E+01 Qxc -0.4491017E+01 3,+1 115 3 -1 -0.576479 -1.814506 2.797708 Rho 0.1212690E+00 |GRAD(Rho)| 0.1025808E-15 GRAD(Rho)x 0.1650698E-16 GRAD(Rho)y 0.1004649E-15 GRAD(Rho)z 0.1253609E-16 Laplacian 0.5031092E+00 (-1/4)Del**2(Rho)) -0.1257773E+00 Diamond 0.7904665E+00 Metallicity 0.4069433E+01 Ellipticity 0.1041208E-01 Gb(Abramov) 0.1691586E+00 Vb(Abramov) -0.2125399E+00 Hb(Abramov) -0.4338129E-01 Ex_ueg -0.4433208E-01 Ec_ueg -0.6630573E-02 Delta_ex -0.5132621E-01 Delta_ec 0.1345504E-01 Delta_et -0.1732860E+00 Pxc 0.6686011E+01 Qxc -0.3814646E+01 3,-1 116 3 -1 -0.255296 -1.334993 -3.460266 Rho 0.4420637E-02 |GRAD(Rho)| 0.9534656E-17 GRAD(Rho)x 0.9501143E-17 GRAD(Rho)y 0.1608152E-18 GRAD(Rho)z 0.7823605E-18 Laplacian 0.1603013E-01 (-1/4)Del**2(Rho)) -0.4007532E-02 Diamond 0.4688203E-03 Metallicity 0.5118596E+00 Ellipticity 0.1000490E+00 Gb(Abramov) 0.3013571E-02 Vb(Abramov) -0.2019609E-02 Hb(Abramov) 0.9939618E-03 Ex_ueg -0.5358355E-03 Ec_ueg -0.1220663E-03 Delta_ex -0.9448052E-03 Delta_ec 0.8017667E-03 Delta_et -0.4074490E-02 Pxc 0.4389710E+01 Qxc -0.1178404E+01 3,-1 117 3 +1 1.888400 -1.827672 -1.773754 Rho 0.1266499E-01 |GRAD(Rho)| 0.2340030E-14 GRAD(Rho)x 0.1460963E-14 GRAD(Rho)y 0.1658384E-14 GRAD(Rho)z -0.7688234E-15 Laplacian 0.5761251E-01 (-1/4)Del**2(Rho)) -0.1440313E-01 Diamond 0.2436027E-02 Metallicity 0.8230716E+00 Ellipticity -0.1358000E+01 Gb(Abramov) 0.1157789E-01 Vb(Abramov) -0.8752644E-02 Hb(Abramov) 0.2825242E-02 Ex_ueg -0.2180343E-02 Ec_ueg -0.4903535E-03 Delta_ex -0.2859174E-02 Delta_ec 0.7238894E-03 Delta_et -0.5517688E-02 Pxc 0.4446471E+01 Qxc -0.3949739E+01 3,+1 118 3 -1 1.756174 0.481806 -1.764621 Rho 0.3636653E-01 |GRAD(Rho)| 0.6242017E-16 GRAD(Rho)x 0.5087407E-16 GRAD(Rho)y -0.1856982E-16 GRAD(Rho)z -0.3103656E-16 Laplacian 0.1519327E+00 (-1/4)Del**2(Rho)) -0.3798317E-01 Diamond 0.5339038E-01 Metallicity 0.1810499E+01 Ellipticity 0.1734949E-01 Gb(Abramov) 0.3678353E-01 Vb(Abramov) -0.3558389E-01 Hb(Abramov) 0.1199638E-02 Ex_ueg -0.8898583E-02 Ec_ueg -0.1676439E-02 Delta_ex -0.1177950E-01 Delta_ec 0.4940553E-02 Delta_et -0.4787058E-01 Pxc 0.5308026E+01 Qxc -0.2384247E+01 3,-1 119 3 -1 -0.880377 3.022807 1.998233 Rho 0.1143705E+00 |GRAD(Rho)| 0.6913072E-14 GRAD(Rho)x -0.2948352E-14 GRAD(Rho)y -0.3072487E-14 GRAD(Rho)z -0.5445880E-14 Laplacian 0.4699760E+00 (-1/4)Del**2(Rho)) -0.1174940E+00 Diamond 0.7062545E+00 Metallicity 0.3951186E+01 Ellipticity 0.8467176E-02 Gb(Abramov) 0.1557028E+00 Vb(Abramov) -0.1939116E+00 Hb(Abramov) -0.3820878E-01 Ex_ueg -0.4100188E-01 Ec_ueg -0.6203502E-02 Delta_ex -0.4754130E-01 Delta_ec 0.1320235E-01 Delta_et -0.1689794E+00 Pxc 0.6609473E+01 Qxc -0.3600973E+01 3,-1 120 3 -1 -0.527694 1.739435 1.751794 Rho 0.4074503E-01 |GRAD(Rho)| 0.7194022E-16 GRAD(Rho)x 0.1488131E-16 GRAD(Rho)y 0.5754318E-16 GRAD(Rho)z -0.4053053E-16 Laplacian 0.1739665E+00 (-1/4)Del**2(Rho)) -0.4349162E-01 Diamond 0.7177506E-01 Metallicity 0.1911050E+01 Ellipticity 0.2475214E-01 Gb(Abramov) 0.4284686E-01 Vb(Abramov) -0.4220209E-01 Hb(Abramov) 0.6447664E-03 Ex_ueg -0.1035503E-01 Ec_ueg -0.1910073E-02 Delta_ex -0.1388917E-01 Delta_ec 0.5697457E-02 Delta_et -0.5696944E-01 Pxc 0.5421273E+01 Qxc -0.2437784E+01 3,-1 121 3 -1 -0.569727 -0.518780 -0.509292 Rho 0.1862046E+00 |GRAD(Rho)| 0.2390900E-15 GRAD(Rho)x 0.9714451E-16 GRAD(Rho)y 0.1179612E-15 GRAD(Rho)z 0.1838807E-15 Laplacian 0.4946299E+00 (-1/4)Del**2(Rho)) -0.1236575E+00 Diamond 0.1310951E+01 Metallicity 0.8458954E+01 Ellipticity 0.2552173E-01 Gb(Abramov) 0.2567738E+00 Vb(Abramov) -0.3898901E+00 Hb(Abramov) -0.1331163E+00 Ex_ueg -0.7853058E-01 Ec_ueg -0.1080017E-01 Delta_ex -0.5614534E-01 Delta_ec 0.1202328E-01 Delta_et -0.1647100E+00 Pxc 0.7271238E+01 Qxc -0.4669718E+01 3,-1 122 3 +1 2.114341 -1.053394 1.439466 Rho 0.2625608E-01 |GRAD(Rho)| 0.1424341E-13 GRAD(Rho)x 0.6762552E-14 GRAD(Rho)y 0.7162761E-14 GRAD(Rho)z 0.1028774E-13 Laplacian 0.1007250E+00 (-1/4)Del**2(Rho)) -0.2518126E-01 Diamond 0.1303251E-01 Metallicity 0.1586812E+01 Ellipticity -0.2944224E+01 Gb(Abramov) 0.2344716E-01 Vb(Abramov) -0.2171306E-01 Hb(Abramov) 0.1734098E-02 Ex_ueg -0.5763569E-02 Ec_ueg -0.1152161E-02 Delta_ex -0.6239296E-02 Delta_ec 0.1516491E-02 Delta_et -0.1358503E-01 Pxc 0.5002398E+01 Qxc -0.4114298E+01 3,+1 123 3 +3 0.030489 -0.011189 2.355068 Rho 0.4306068E-02 |GRAD(Rho)| 0.2118984E-15 GRAD(Rho)x 0.1194500E-15 GRAD(Rho)y -0.1438318E-15 GRAD(Rho)z 0.9972489E-16 Laplacian 0.1718641E-01 (-1/4)Del**2(Rho)) -0.4296602E-02 Diamond 0.1345157E-03 Metallicity 0.4569789E+00 Ellipticity -0.2343337E+00 Gb(Abramov) 0.3191644E-02 Vb(Abramov) -0.2086686E-02 Hb(Abramov) 0.1104958E-02 Ex_ueg -0.5173997E-03 Ec_ueg -0.1171734E-03 Delta_ex -0.6113414E-03 Delta_ec 0.1499267E-03 Delta_et -0.9388063E-03 Pxc 0.4415676E+01 Qxc -0.4077601E+01 3,+3 124 3 +1 2.170806 1.006966 -1.433842 Rho 0.2407220E-01 |GRAD(Rho)| 0.7280794E-16 GRAD(Rho)x 0.6863004E-16 GRAD(Rho)y -0.2249453E-16 GRAD(Rho)z -0.9214660E-17 Laplacian 0.9091213E-01 (-1/4)Del**2(Rho)) -0.2272803E-01 Diamond 0.1041451E-01 Metallicity 0.1521193E+01 Ellipticity -0.2771884E+01 Gb(Abramov) 0.2091431E-01 Vb(Abramov) -0.1910059E-01 Hb(Abramov) 0.1813724E-02 Ex_ueg -0.5133412E-02 Ec_ueg -0.1042115E-02 Delta_ex -0.5497805E-02 Delta_ec 0.1364738E-02 Delta_et -0.1198148E-01 Pxc 0.4925954E+01 Qxc -0.4028469E+01 3,+1 125 3 -1 -0.522049 0.431382 0.462657 Rho 0.1773709E+00 |GRAD(Rho)| 0.3015227E-15 GRAD(Rho)x 0.8326673E-16 GRAD(Rho)y -0.1526557E-15 GRAD(Rho)z -0.2463307E-15 Laplacian 0.4637343E+00 (-1/4)Del**2(Rho)) -0.1159336E+00 Diamond 0.1171783E+01 Metallicity 0.8320471E+01 Ellipticity 0.1988009E-02 Gb(Abramov) 0.2380594E+00 Vb(Abramov) -0.3601852E+00 Hb(Abramov) -0.1221258E+00 Ex_ueg -0.7360290E-01 Ec_ueg -0.1021811E-01 Delta_ex -0.5209799E-01 Delta_ec 0.1159350E-01 Delta_et -0.1585077E+00 Pxc 0.7203184E+01 Qxc -0.4493723E+01 3,-1 126 3 +1 0.514803 -0.806035 -1.782290 Rho 0.5139152E-02 |GRAD(Rho)| 0.2731743E-17 GRAD(Rho)x 0.2111448E-17 GRAD(Rho)y -0.1732665E-17 GRAD(Rho)z 0.4557186E-19 Laplacian 0.1971528E-01 (-1/4)Del**2(Rho)) -0.4928820E-02 Diamond 0.3449411E-03 Metallicity 0.5349287E+00 Ellipticity -0.1568060E+01 Gb(Abramov) 0.3725308E-02 Vb(Abramov) -0.2521796E-02 Hb(Abramov) 0.1203512E-02 Ex_ueg -0.6549985E-03 Ec_ueg -0.1529060E-03 Delta_ex -0.8671807E-03 Delta_ec 0.4096782E-03 Delta_et -0.2328406E-02 Pxc 0.4283669E+01 Qxc -0.2116736E+01 3,+1 127 3 -1 -0.096088 -3.232171 3.212829 Rho 0.2348382E+00 |GRAD(Rho)| 0.6344461E-12 GRAD(Rho)x 0.1473138E-12 GRAD(Rho)y 0.4388429E-12 GRAD(Rho)z -0.4338633E-12 Laplacian 0.8677256E+00 (-1/4)Del**2(Rho)) -0.2169314E+00 Diamond 0.2982979E+01 Metallicity 0.7098697E+01 Ellipticity 0.1933485E-02 Gb(Abramov) 0.4012760E+00 Vb(Abramov) -0.5856206E+00 Hb(Abramov) -0.1843446E+00 Ex_ueg -0.1070065E+00 Ec_ueg -0.1408302E-01 Delta_ex -0.1042095E+00 Delta_ec 0.1922700E-01 Delta_et -0.2658340E+00 Pxc 0.7598260E+01 Qxc -0.5419955E+01 3,-1 128 3 +1 1.706685 -0.582239 -0.571878 Rho 0.7308132E-02 |GRAD(Rho)| 0.8611621E-17 GRAD(Rho)x 0.1177095E-17 GRAD(Rho)y 0.4956501E-17 GRAD(Rho)z -0.6943166E-17 Laplacian 0.2764486E-01 (-1/4)Del**2(Rho)) -0.6911214E-02 Diamond 0.5850786E-03 Metallicity 0.6860295E+00 Ellipticity -0.1400386E+01 Gb(Abramov) 0.5397692E-02 Vb(Abramov) -0.3884170E-02 Hb(Abramov) 0.1513522E-02 Ex_ueg -0.1047435E-02 Ec_ueg -0.2475545E-03 Delta_ex -0.1208010E-02 Delta_ec 0.3813192E-03 Delta_et -0.2505443E-02 Pxc 0.4231127E+01 Qxc -0.3167976E+01 3,+1 129 3 +1 0.097063 -0.092462 2.980938 Rho 0.5034621E-02 |GRAD(Rho)| 0.3325459E-16 GRAD(Rho)x 0.2704921E-16 GRAD(Rho)y -0.1888999E-16 GRAD(Rho)z 0.4168515E-17 Laplacian 0.1975380E-01 (-1/4)Del**2(Rho)) -0.4938451E-02 Diamond 0.4643759E-03 Metallicity 0.5159097E+00 Ellipticity -0.4034914E+01 Gb(Abramov) 0.3716933E-02 Vb(Abramov) -0.2495415E-02 Hb(Abramov) 0.1221518E-02 Ex_ueg -0.6372954E-03 Ec_ueg -0.1484030E-03 Delta_ex -0.9829172E-03 Delta_ec 0.6210839E-03 Delta_et -0.3380387E-02 Pxc 0.4294357E+01 Qxc -0.1582584E+01 3,+1 130 3 +3 2.364821 -0.019529 0.019648 Rho 0.3776791E-02 |GRAD(Rho)| 0.2139642E-17 GRAD(Rho)x -0.8431405E-18 GRAD(Rho)y 0.1370630E-17 GRAD(Rho)z 0.1410161E-17 Laplacian 0.1504186E-01 (-1/4)Del**2(Rho)) -0.3760464E-02 Diamond 0.9827724E-04 Metallicity 0.4196139E+00 Ellipticity -0.2151576E+00 Gb(Abramov) 0.2769967E-02 Vb(Abramov) -0.1779469E-02 Hb(Abramov) 0.9904976E-03 Ex_ueg -0.4343925E-03 Ec_ueg -0.9465897E-04 Delta_ex -0.5171136E-03 Delta_ec 0.1305546E-03 Delta_et -0.7932749E-03 Pxc 0.4589026E+01 Qxc -0.3960898E+01 3,+3 131 3 -1 -0.577862 1.773147 -2.765762 Rho 0.1390302E+00 |GRAD(Rho)| 0.1483646E-15 GRAD(Rho)x 0.2293088E-16 GRAD(Rho)y -0.5941428E-16 GRAD(Rho)z 0.1340006E-15 Laplacian 0.5912868E+00 (-1/4)Del**2(Rho)) -0.1478217E+00 Diamond 0.1089252E+01 Metallicity 0.4348407E+01 Ellipticity 0.1260351E-01 Gb(Abramov) 0.2056793E+00 Vb(Abramov) -0.2635369E+00 Hb(Abramov) -0.5785759E-01 Ex_ueg -0.5319415E-01 Ec_ueg -0.7745030E-02 Delta_ex -0.6228029E-01 Delta_ec 0.1519595E-01 Delta_et -0.1998815E+00 Pxc 0.6868166E+01 Qxc -0.4098479E+01 3,-1 132 3 -1 0.068573 -2.020623 -1.027802 Rho 0.8760996E-02 |GRAD(Rho)| 0.2960062E-14 GRAD(Rho)x 0.1912393E-14 GRAD(Rho)y 0.2239262E-14 GRAD(Rho)z 0.3007044E-15 Laplacian 0.3374444E-01 (-1/4)Del**2(Rho)) -0.8436110E-02 Diamond 0.1889858E-02 Metallicity 0.7603263E+00 Ellipticity 0.6285843E+00 Gb(Abramov) 0.6693106E-02 Vb(Abramov) -0.4950102E-02 Hb(Abramov) 0.1743004E-02 Ex_ueg -0.1333899E-02 Ec_ueg -0.3121892E-03 Delta_ex -0.1972455E-02 Delta_ec 0.1231168E-02 Delta_et -0.7844264E-02 Pxc 0.4272726E+01 Qxc -0.1602101E+01 3,-1 133 3 -1 1.711794 -0.555895 1.737094 Rho 0.3719735E-01 |GRAD(Rho)| 0.1046715E-15 GRAD(Rho)x 0.5744366E-16 GRAD(Rho)y 0.5070487E-16 GRAD(Rho)z 0.7131170E-16 Laplacian 0.1568965E+00 (-1/4)Del**2(Rho)) -0.3922413E-01 Diamond 0.5673697E-01 Metallicity 0.1820483E+01 Ellipticity 0.4288459E-01 Gb(Abramov) 0.3805056E-01 Vb(Abramov) -0.3687699E-01 Hb(Abramov) 0.1173569E-02 Ex_ueg -0.9170670E-02 Ec_ueg -0.1720491E-02 Delta_ex -0.1222349E-01 Delta_ec 0.5088174E-02 Delta_et -0.4961000E-01 Pxc 0.5330263E+01 Qxc -0.2402333E+01 3,-1 134 3 -1 -0.076892 3.164417 -3.189474 Rho 0.2354711E+00 |GRAD(Rho)| 0.4430368E-15 GRAD(Rho)x -0.1889222E-16 GRAD(Rho)y -0.4379635E-15 GRAD(Rho)z 0.6413056E-16 Laplacian 0.8722006E+00 (-1/4)Del**2(Rho)) -0.2180501E+00 Diamond 0.3006384E+01 Metallicity 0.7094028E+01 Ellipticity 0.1414956E-02 Gb(Abramov) 0.4031757E+00 Vb(Abramov) -0.5883013E+00 Hb(Abramov) -0.1851256E+00 Ex_ueg -0.1073912E+00 Ec_ueg -0.1412661E-01 Delta_ex -0.1048111E+00 Delta_ec 0.1929423E-01 Delta_et -0.2667189E+00 Pxc 0.7602050E+01 Qxc -0.5432252E+01 3,-1 135 3 -1 -0.562155 2.750242 -1.795424 Rho 0.1332412E+00 |GRAD(Rho)| 0.3935714E-15 GRAD(Rho)x 0.3485710E-16 GRAD(Rho)y 0.1294029E-15 GRAD(Rho)z 0.3700518E-15 Laplacian 0.5563608E+00 (-1/4)Del**2(Rho)) -0.1390902E+00 Diamond 0.9723579E+00 Metallicity 0.4305145E+01 Ellipticity 0.1033466E-01 Gb(Abramov) 0.1925274E+00 Vb(Abramov) -0.2459645E+00 Hb(Abramov) -0.5343717E-01 Ex_ueg -0.5026163E-01 Ec_ueg -0.7379505E-02 Delta_ex -0.5798169E-01 Delta_ec 0.1441523E-01 Delta_et -0.1883146E+00 Pxc 0.6810976E+01 Qxc -0.4022251E+01 3,-1 136 3 +1 0.159377 2.970914 -0.161697 Rho 0.5607786E-02 |GRAD(Rho)| 0.1066992E-15 GRAD(Rho)x 0.7902976E-16 GRAD(Rho)y -0.1997553E-16 GRAD(Rho)z -0.6884769E-16 Laplacian 0.2287396E-01 (-1/4)Del**2(Rho)) -0.5718490E-02 Diamond 0.6089605E-03 Metallicity 0.5332418E+00 Ellipticity -0.3245656E+01 Gb(Abramov) 0.4320550E-02 Vb(Abramov) -0.2922609E-02 Hb(Abramov) 0.1397940E-02 Ex_ueg -0.7358235E-03 Ec_ueg -0.1731614E-03 Delta_ex -0.1152235E-02 Delta_ec 0.7011611E-03 Delta_et -0.3948825E-02 Pxc 0.4249352E+01 Qxc -0.1643324E+01 3,+1 137 3 -1 0.063710 3.284540 3.233766 Rho 0.2101917E+00 |GRAD(Rho)| 0.1205631E-14 GRAD(Rho)x 0.8978007E-15 GRAD(Rho)y 0.2211772E-16 GRAD(Rho)z 0.8043696E-15 Laplacian 0.7889698E+00 (-1/4)Del**2(Rho)) -0.1972424E+00 Diamond 0.2377679E+01 Metallicity 0.6490013E+01 Ellipticity 0.4723466E-02 Gb(Abramov) 0.3448460E+00 Vb(Abramov) -0.4924495E+00 Hb(Abramov) -0.1476035E+00 Ex_ueg -0.9230090E-01 Ec_ueg -0.1240294E-01 Delta_ex -0.9209508E-01 Delta_ec 0.1809333E-01 Delta_et -0.2488790E+00 Pxc 0.7441854E+01 Qxc -0.5090002E+01 3,-1 138 3 -1 0.518556 1.674982 -1.730421 Rho 0.5021636E-01 |GRAD(Rho)| 0.9006564E-13 GRAD(Rho)x -0.6677271E-13 GRAD(Rho)y -0.2538282E-13 GRAD(Rho)z -0.5485378E-13 Laplacian 0.2009060E+00 (-1/4)Del**2(Rho)) -0.5022651E-01 Diamond 0.1017559E+00 Metallicity 0.2344385E+01 Ellipticity 0.1393016E-01 Gb(Abramov) 0.5310938E-01 Vb(Abramov) -0.5599226E-01 Hb(Abramov) -0.2882876E-02 Ex_ueg -0.1368292E-01 Ec_ueg -0.2426837E-02 Delta_ex -0.1652556E-01 Delta_ec 0.5933336E-02 Delta_et -0.6262121E-01 Pxc 0.5638169E+01 Qxc -0.2785206E+01 3,-1 139 3 +1 0.384267 -1.748557 -0.650489 Rho 0.7792810E-02 |GRAD(Rho)| 0.1043922E-16 GRAD(Rho)x 0.2402943E-17 GRAD(Rho)y -0.9734652E-17 GRAD(Rho)z -0.2905121E-17 Laplacian 0.2984206E-01 (-1/4)Del**2(Rho)) -0.7460515E-02 Diamond 0.8586784E-03 Metallicity 0.7073069E+00 Ellipticity -0.1748033E+01 Gb(Abramov) 0.5853156E-02 Vb(Abramov) -0.4245796E-02 Hb(Abramov) 0.1607359E-02 Ex_ueg -0.1141065E-02 Ec_ueg -0.2690102E-03 Delta_ex -0.1412272E-02 Delta_ec 0.5670697E-03 Delta_et -0.3655659E-02 Pxc 0.4241718E+01 Qxc -0.2490473E+01 3,+1 140 3 -1 0.412068 0.413939 -0.496635 Rho 0.1809228E+00 |GRAD(Rho)| 0.1653417E-13 GRAD(Rho)x -0.1024528E-13 GRAD(Rho)y -0.9631185E-14 GRAD(Rho)z 0.8697904E-14 Laplacian 0.4768045E+00 (-1/4)Del**2(Rho)) -0.1192011E+00 Diamond 0.1234822E+01 Metallicity 0.8364276E+01 Ellipticity 0.4848314E-02 Gb(Abramov) 0.2456393E+00 Vb(Abramov) -0.3720774E+00 Hb(Abramov) -0.1264381E+00 Ex_ueg -0.7557465E-01 Ec_ueg -0.1045161E-01 Delta_ex -0.5384035E-01 Delta_ec 0.1187270E-01 Delta_et -0.1627332E+00 Pxc 0.7230911E+01 Qxc -0.4534804E+01 3,-1 141 3 -1 0.402974 -0.521781 0.441483 Rho 0.1812492E+00 |GRAD(Rho)| 0.1104244E-15 GRAD(Rho)x 0.9714451E-16 GRAD(Rho)y -0.5204170E-16 GRAD(Rho)z 0.6938894E-17 Laplacian 0.4783292E+00 (-1/4)Del**2(Rho)) -0.1195823E+00 Diamond 0.1242816E+01 Metallicity 0.8362699E+01 Ellipticity 0.4641044E-02 Gb(Abramov) 0.2463934E+00 Vb(Abramov) -0.3732044E+00 Hb(Abramov) -0.1268110E+00 Ex_ueg -0.7575650E-01 Ec_ueg -0.1047310E-01 Delta_ex -0.5404744E-01 Delta_ec 0.1192389E-01 Delta_et -0.1635231E+00 Pxc 0.7233434E+01 Qxc -0.4532703E+01 3,-1 142 3 +1 1.698740 0.510357 0.561682 Rho 0.6912690E-02 |GRAD(Rho)| 0.2791725E-14 GRAD(Rho)x -0.1261075E-14 GRAD(Rho)y -0.2407435E-14 GRAD(Rho)z 0.6384965E-15 Laplacian 0.2617751E-01 (-1/4)Del**2(Rho)) -0.6544377E-02 Diamond 0.5242504E-03 Metallicity 0.6603335E+00 Ellipticity -0.1399898E+01 Gb(Abramov) 0.5083163E-02 Vb(Abramov) -0.3621949E-02 Hb(Abramov) 0.1461214E-02 Ex_ueg -0.9725557E-03 Ec_ueg -0.2301300E-03 Delta_ex -0.1134501E-02 Delta_ec 0.3724722E-03 Delta_et -0.2402319E-02 Pxc 0.4226114E+01 Qxc -0.3045869E+01 3,+1 143 3 -1 1.696026 -1.768365 0.480514 Rho 0.4315597E-01 |GRAD(Rho)| 0.1834074E-15 GRAD(Rho)x 0.1229646E-15 GRAD(Rho)y -0.1271193E-15 GRAD(Rho)z -0.4856590E-16 Laplacian 0.1709051E+00 (-1/4)Del**2(Rho)) -0.4272626E-01 Diamond 0.7009780E-01 Metallicity 0.2140884E+01 Ellipticity 0.5560144E-01 Gb(Abramov) 0.4372950E-01 Vb(Abramov) -0.4473274E-01 Hb(Abramov) -0.1003240E-02 Ex_ueg -0.1117994E-01 Ec_ueg -0.2040209E-02 Delta_ex -0.1351516E-01 Delta_ec 0.5020419E-02 Delta_et -0.5090815E-01 Pxc 0.5479804E+01 Qxc -0.2692039E+01 3,-1 144 3 +1 1.358805 -2.219557 1.051216 Rho 0.2673990E-01 |GRAD(Rho)| 0.4619139E-14 GRAD(Rho)x 0.2845817E-14 GRAD(Rho)y 0.9489869E-15 GRAD(Rho)z -0.3512435E-14 Laplacian 0.1037086E+00 (-1/4)Del**2(Rho)) -0.2592715E-01 Diamond 0.1376808E-01 Metallicity 0.1588783E+01 Ellipticity -0.2924064E+01 Gb(Abramov) 0.2415021E-01 Vb(Abramov) -0.2237326E-01 Hb(Abramov) 0.1776947E-02 Ex_ueg -0.5905610E-02 Ec_ueg -0.1176708E-02 Delta_ex -0.6456867E-02 Delta_ec 0.1562635E-02 Delta_et -0.1405730E-01 Pxc 0.5018755E+01 Qxc -0.4132037E+01 3,+1 145 3 -1 0.833659 -3.032828 2.021544 Rho 0.1637159E+00 |GRAD(Rho)| 0.4423134E-15 GRAD(Rho)x 0.4534676E-16 GRAD(Rho)y 0.3357910E-15 GRAD(Rho)z 0.2843049E-15 Laplacian 0.6399356E+00 (-1/4)Del**2(Rho)) -0.1599839E+00 Diamond 0.1434115E+01 Metallicity 0.5275880E+01 Ellipticity 0.6785522E-01 Gb(Abramov) 0.2473319E+00 Vb(Abramov) -0.3346799E+00 Hb(Abramov) -0.8734801E-01 Ex_ueg -0.6614639E-01 Ec_ueg -0.9327233E-02 Delta_ex -0.7016909E-01 Delta_ec 0.1578153E-01 Delta_et -0.2122472E+00 Pxc 0.7091749E+01 Qxc -0.4446280E+01 3,-1 146 3 -1 0.510357 -1.760242 1.724943 Rho 0.4802612E-01 |GRAD(Rho)| 0.1402439E-14 GRAD(Rho)x 0.8638612E-15 GRAD(Rho)y -0.1684689E-15 GRAD(Rho)z -0.1091878E-14 Laplacian 0.1925888E+00 (-1/4)Del**2(Rho)) -0.4814721E-01 Diamond 0.9175272E-01 Metallicity 0.2270446E+01 Ellipticity 0.1569898E-01 Gb(Abramov) 0.5031742E-01 Vb(Abramov) -0.5248762E-01 Hb(Abramov) -0.2170204E-02 Ex_ueg -0.1289303E-01 Ec_ueg -0.2306059E-02 Delta_ex -0.1566210E-01 Delta_ec 0.5685394E-02 Delta_et -0.5930846E-01 Pxc 0.5590938E+01 Qxc -0.2754796E+01 3,-1 147 3 -1 0.813384 -2.021206 3.049138 Rho 0.1597539E+00 |GRAD(Rho)| 0.3312250E-14 GRAD(Rho)x -0.2778783E-14 GRAD(Rho)y -0.1632036E-14 GRAD(Rho)z -0.7653925E-15 Laplacian 0.6252437E+00 (-1/4)Del**2(Rho)) -0.1563109E+00 Diamond 0.1360813E+01 Metallicity 0.5183815E+01 Ellipticity 0.3951761E-01 Gb(Abramov) 0.2392551E+00 Vb(Abramov) -0.3221993E+00 Hb(Abramov) -0.8294419E-01 Ex_ueg -0.6402068E-01 Ec_ueg -0.9070798E-02 Delta_ex -0.6814418E-01 Delta_ec 0.1551985E-01 Delta_et -0.2081051E+00 Pxc 0.7057888E+01 Qxc -0.4390774E+01 3,-1 148 3 -1 0.585779 1.848050 2.836467 Rho 0.1351948E+00 |GRAD(Rho)| 0.1189355E-15 GRAD(Rho)x -0.2959872E-16 GRAD(Rho)y -0.8643802E-16 GRAD(Rho)z -0.7614487E-16 Laplacian 0.5730778E+00 (-1/4)Del**2(Rho)) -0.1432695E+00 Diamond 0.1047363E+01 Metallicity 0.4282191E+01 Ellipticity 0.1520781E-01 Gb(Abramov) 0.1977642E+00 Vb(Abramov) -0.2522589E+00 Hb(Abramov) -0.5449471E-01 Ex_ueg -0.5124658E-01 Ec_ueg -0.7502612E-02 Delta_ex -0.6025684E-01 Delta_ec 0.1537065E-01 Delta_et -0.2023962E+00 Pxc 0.6830498E+01 Qxc -0.3920254E+01 3,-1 149 3 +1 1.460580 0.947759 -2.189450 Rho 0.2495162E-01 |GRAD(Rho)| 0.6274613E-16 GRAD(Rho)x -0.2816936E-16 GRAD(Rho)y 0.2219471E-17 GRAD(Rho)z 0.5602355E-16 Laplacian 0.9533857E-01 (-1/4)Del**2(Rho)) -0.2383464E-01 Diamond 0.1043475E-01 Metallicity 0.1539959E+01 Ellipticity -0.2185721E+01 Gb(Abramov) 0.2200716E-01 Vb(Abramov) -0.2017967E-01 Hb(Abramov) 0.1827486E-02 Ex_ueg -0.5384971E-02 Ec_ueg -0.1086279E-02 Delta_ex -0.5708565E-02 Delta_ec 0.1228762E-02 Delta_et -0.1093214E-01 Pxc 0.4957265E+01 Qxc -0.4645784E+01 3,+1 150 3 -1 0.840862 1.962420 -3.017891 Rho 0.1535218E+00 |GRAD(Rho)| 0.3605687E-13 GRAD(Rho)x 0.3488944E-13 GRAD(Rho)y -0.7628230E-14 GRAD(Rho)z 0.4963383E-14 Laplacian 0.6003493E+00 (-1/4)Del**2(Rho)) -0.1500873E+00 Diamond 0.1244770E+01 Metallicity 0.5052338E+01 Ellipticity 0.3967659E-01 Gb(Abramov) 0.2264402E+00 Vb(Abramov) -0.3027931E+00 Hb(Abramov) -0.7635287E-01 Ex_ueg -0.6071253E-01 Ec_ueg -0.8669337E-02 Delta_ex -0.6478114E-01 Delta_ec 0.1503704E-01 Delta_et -0.2005545E+00 Pxc 0.7003134E+01 Qxc -0.4308105E+01 3,-1 151 3 +3 0.005937 2.278268 0.021421 Rho 0.4482068E-02 |GRAD(Rho)| 0.1283904E-13 GRAD(Rho)x -0.6346028E-14 GRAD(Rho)y -0.9102281E-14 GRAD(Rho)z 0.6458902E-14 Laplacian 0.1818104E-01 (-1/4)Del**2(Rho)) -0.4545260E-02 Diamond 0.1419640E-03 Metallicity 0.4618049E+00 Ellipticity -0.2988876E+00 Gb(Abramov) 0.3380010E-02 Vb(Abramov) -0.2214761E-02 Hb(Abramov) 0.1165249E-02 Ex_ueg -0.5457867E-03 Ec_ueg -0.1246926E-03 Delta_ex -0.6444984E-03 Delta_ec 0.1427056E-03 Delta_et -0.9255524E-03 Pxc 0.4377057E+01 Qxc -0.4516280E+01 3,+3 152 3 +1 1.788829 1.798288 1.780401 Rho 0.1138688E-01 |GRAD(Rho)| 0.3624153E-17 GRAD(Rho)x 0.3332321E-17 GRAD(Rho)y -0.1175068E-18 GRAD(Rho)z 0.1419970E-17 Laplacian 0.5333011E-01 (-1/4)Del**2(Rho)) -0.1333253E-01 Diamond 0.1899127E-02 Metallicity 0.7447009E+00 Ellipticity -0.1256641E+01 Gb(Abramov) 0.1054314E-01 Vb(Abramov) -0.7753758E-02 Hb(Abramov) 0.2789385E-02 Ex_ueg -0.1892016E-02 Ec_ueg -0.4313397E-03 Delta_ex -0.2557709E-02 Delta_ec 0.6426600E-03 Delta_et -0.4796430E-02 Pxc 0.4386370E+01 Qxc -0.3979879E+01 3,+1 153 3 -1 0.848762 2.959541 -1.992994 Rho 0.1498244E+00 |GRAD(Rho)| 0.1553729E-13 GRAD(Rho)x 0.6644669E-14 GRAD(Rho)y -0.6872541E-14 GRAD(Rho)z 0.1224842E-13 Laplacian 0.5890020E+00 (-1/4)Del**2(Rho)) -0.1472505E+00 Diamond 0.1190862E+01 Metallicity 0.4944629E+01 Ellipticity 0.5284339E-01 Gb(Abramov) 0.2195169E+00 Vb(Abramov) -0.2917832E+00 Hb(Abramov) -0.7226636E-01 Ex_ueg -0.5877080E-01 Ec_ueg -0.8432271E-02 Delta_ex -0.6322436E-01 Delta_ec 0.1492959E-01 Delta_et -0.1986660E+00 Pxc 0.6969748E+01 Qxc -0.4234835E+01 3,-1 154 3 -1 0.587535 2.836707 1.800672 Rho 0.1187280E+00 |GRAD(Rho)| 0.1175477E-15 GRAD(Rho)x -0.6055269E-16 GRAD(Rho)y 0.8266364E-16 GRAD(Rho)z -0.5759824E-16 Laplacian 0.5103297E+00 (-1/4)Del**2(Rho)) -0.1275824E+00 Diamond 0.8094122E+00 Metallicity 0.3872731E+01 Ellipticity 0.1753418E-01 Gb(Abramov) 0.1674037E+00 Vb(Abramov) -0.2072249E+00 Hb(Abramov) -0.3982125E-01 Ex_ueg -0.4309786E-01 Ec_ueg -0.6472872E-02 Delta_ex -0.5217834E-01 Delta_ec 0.1439008E-01 Delta_et -0.1857347E+00 Pxc 0.6658228E+01 Qxc -0.3625994E+01 3,-1 155 3 -1 1.735116 1.704469 -0.523512 Rho 0.3767750E-01 |GRAD(Rho)| 0.5311228E-13 GRAD(Rho)x -0.1847572E-14 GRAD(Rho)y 0.4734846E-13 GRAD(Rho)z -0.2399217E-13 Laplacian 0.1465443E+00 (-1/4)Del**2(Rho)) -0.3663608E-01 Diamond 0.4919767E-01 Metallicity 0.1991197E+01 Ellipticity 0.2749072E-01 Gb(Abramov) 0.3658233E-01 Vb(Abramov) -0.3652858E-01 Hb(Abramov) 0.5375128E-04 Ex_ueg -0.9328843E-02 Ec_ueg -0.1746011E-02 Delta_ex -0.1115534E-01 Delta_ec 0.4221665E-02 Delta_et -0.4127076E-01 Pxc 0.5342947E+01 Qxc -0.2642404E+01 3,-1 156 3 -1 1.791621 -2.841115 -0.570586 Rho 0.1975326E+00 |GRAD(Rho)| 0.9854892E-14 GRAD(Rho)x 0.8172933E-14 GRAD(Rho)y 0.1874613E-14 GRAD(Rho)z 0.5177635E-14 Laplacian 0.7753245E+00 (-1/4)Del**2(Rho)) -0.1938311E+00 Diamond 0.2143346E+01 Metallicity 0.5954714E+01 Ellipticity 0.4262545E-02 Gb(Abramov) 0.3215889E+00 Vb(Abramov) -0.4493467E+00 Hb(Abramov) -0.1277578E+00 Ex_ueg -0.8496434E-01 Ec_ueg -0.1155307E-01 Delta_ex -0.8890016E-01 Delta_ec 0.1777926E-01 Delta_et -0.2423710E+00 Pxc 0.7354268E+01 Qxc -0.5000217E+01 3,-1 157 3 -1 1.141617 -2.313552 -2.000921 Rho 0.3636270E-01 |GRAD(Rho)| 0.4395813E-16 GRAD(Rho)x -0.1301135E-16 GRAD(Rho)y -0.5432738E-17 GRAD(Rho)z -0.4163541E-16 Laplacian 0.1096869E+00 (-1/4)Del**2(Rho)) -0.2742172E-01 Diamond 0.5248914E-01 Metallicity 0.2507372E+01 Ellipticity 0.2048629E-01 Gb(Abramov) 0.2974055E-01 Vb(Abramov) -0.3205938E-01 Hb(Abramov) -0.2318834E-02 Ex_ueg -0.8897333E-02 Ec_ueg -0.1676236E-02 Delta_ex -0.9423237E-02 Delta_ec 0.5208160E-02 Delta_et -0.5054343E-01 Pxc 0.5307923E+01 Qxc -0.1809322E+01 3,-1 158 3 -1 1.956927 -3.030832 0.838156 Rho 0.1037459E+00 |GRAD(Rho)| 0.2059347E-15 GRAD(Rho)x 0.1494979E-15 GRAD(Rho)y 0.1404482E-15 GRAD(Rho)z -0.1826881E-16 Laplacian 0.4024043E+00 (-1/4)Del**2(Rho)) -0.1006011E+00 Diamond 0.5254296E+00 Metallicity 0.3922550E+01 Ellipticity 0.1718324E-01 Gb(Abramov) 0.1328362E+00 Vb(Abramov) -0.1650713E+00 Hb(Abramov) -0.3223510E-01 Ex_ueg -0.3600361E-01 Ec_ueg -0.5552516E-02 Delta_ex -0.3959019E-01 Delta_ec 0.1119547E-01 Delta_et -0.1401630E+00 Pxc 0.6484198E+01 Qxc -0.3536269E+01 3,-1 159 3 +3 1.889730 -1.955574 1.970350 Rho 0.1199306E-01 |GRAD(Rho)| 0.3032380E-16 GRAD(Rho)x -0.2165656E-16 GRAD(Rho)y 0.1360038E-16 GRAD(Rho)z 0.1629589E-16 Laplacian 0.5337917E-01 (-1/4)Del**2(Rho)) -0.1334479E-01 Diamond 0.1316272E-02 Metallicity 0.8111937E+00 Ellipticity -0.8515483E+00 Gb(Abramov) 0.1070073E-01 Vb(Abramov) -0.8056668E-02 Hb(Abramov) 0.2644062E-02 Ex_ueg -0.2027488E-02 Ec_ueg -0.4592486E-03 Delta_ex -0.2386004E-02 Delta_ec 0.2689743E-03 Delta_et -0.2342420E-02 Pxc 0.4414795E+01 Qxc -0.8870752E+01 3,+3 160 3 +3 1.939411 1.884847 -1.947067 Rho 0.1177748E-01 |GRAD(Rho)| 0.1212860E-16 GRAD(Rho)x 0.1485178E-17 GRAD(Rho)y -0.8391029E-17 GRAD(Rho)z -0.8630633E-17 Laplacian 0.5286294E-01 (-1/4)Del**2(Rho)) -0.1321574E-01 Diamond 0.1257809E-02 Metallicity 0.7947229E+00 Ellipticity -0.8483974E+00 Gb(Abramov) 0.1056097E-01 Vb(Abramov) -0.7906195E-02 Hb(Abramov) 0.2654771E-02 Ex_ueg -0.1979041E-02 Ec_ueg -0.4493064E-03 Delta_ex -0.2346637E-02 Delta_ec 0.2594083E-03 Delta_et -0.2267419E-02 Pxc 0.4404658E+01 Qxc -0.9046112E+01 3,+3 161 3 -1 1.837714 2.816046 0.560735 Rho 0.1518841E+00 |GRAD(Rho)| 0.4331959E-13 GRAD(Rho)x 0.3331295E-13 GRAD(Rho)y -0.8279266E-14 GRAD(Rho)z -0.2642514E-13 Laplacian 0.6333009E+00 (-1/4)Del**2(Rho)) -0.1583252E+00 Diamond 0.1293845E+01 Metallicity 0.4704610E+01 Ellipticity 0.8400974E-02 Gb(Abramov) 0.2296932E+00 Vb(Abramov) -0.3010612E+00 Hb(Abramov) -0.7136800E-01 Ex_ueg -0.5985055E-01 Ec_ueg -0.8564233E-02 Delta_ex -0.6813228E-01 Delta_ec 0.1586234E-01 Delta_et -0.2111565E+00 Pxc 0.6988431E+01 Qxc -0.4295222E+01 3,-1 162 3 -1 1.997974 2.978688 -0.843701 Rho 0.1207985E+00 |GRAD(Rho)| 0.2345718E-14 GRAD(Rho)x 0.1058940E-14 GRAD(Rho)y -0.9102487E-15 GRAD(Rho)z 0.1884804E-14 Laplacian 0.4733022E+00 (-1/4)Del**2(Rho)) -0.1183255E+00 Diamond 0.7410589E+00 Metallicity 0.4297779E+01 Ellipticity 0.1989169E-01 Gb(Abramov) 0.1636399E+00 Vb(Abramov) -0.2089542E+00 Hb(Abramov) -0.4531433E-01 Ex_ueg -0.4410291E-01 Ec_ueg -0.6601341E-02 Delta_ex -0.4825243E-01 Delta_ec 0.1269056E-01 Delta_et -0.1633656E+00 Pxc 0.6680902E+01 Qxc -0.3802229E+01 3,-1 163 3 -1 1.975293 -0.669622 -2.899272 Rho 0.1347781E+00 |GRAD(Rho)| 0.2376745E-13 GRAD(Rho)x -0.2045357E-13 GRAD(Rho)y -0.4490847E-14 GRAD(Rho)z 0.1124169E-13 Laplacian 0.5335642E+00 (-1/4)Del**2(Rho)) -0.1333911E+00 Diamond 0.9873881E+00 Metallicity 0.4575710E+01 Ellipticity 0.1078752E+00 Gb(Abramov) 0.1906538E+00 Vb(Abramov) -0.2479166E+00 Hb(Abramov) -0.5726279E-01 Ex_ueg -0.5103609E-01 Ec_ueg -0.7476332E-02 Delta_ex -0.5624257E-01 Delta_ec 0.1464650E-01 Delta_et -0.1933850E+00 Pxc 0.6826354E+01 Qxc -0.3840001E+01 3,-1 164 3 -1 1.955563 -0.882394 3.059386 Rho 0.1088712E+00 |GRAD(Rho)| 0.1682921E-13 GRAD(Rho)x -0.3780931E-14 GRAD(Rho)y 0.1637800E-13 GRAD(Rho)z -0.8293943E-15 Laplacian 0.4486043E+00 (-1/4)Del**2(Rho)) -0.1121511E+00 Diamond 0.6409568E+00 Metallicity 0.3813040E+01 Ellipticity 0.5718768E-02 Gb(Abramov) 0.1460401E+00 Vb(Abramov) -0.1799292E+00 Hb(Abramov) -0.3388906E-01 Ex_ueg -0.3839450E-01 Ec_ueg -0.5865501E-02 Delta_ex -0.4494511E-01 Delta_ec 0.1289628E-01 Delta_et -0.1637263E+00 Pxc 0.6545818E+01 Qxc -0.3485123E+01 3,-1 165 3 -1 2.835074 0.589567 1.840985 Rho 0.1083287E+00 |GRAD(Rho)| 0.2189617E-15 GRAD(Rho)x -0.2793515E-16 GRAD(Rho)y -0.2006316E-15 GRAD(Rho)z 0.8313120E-16 Laplacian 0.4702353E+00 (-1/4)Del**2(Rho)) -0.1175588E+00 Diamond 0.6698234E+00 Metallicity 0.3607477E+01 Ellipticity 0.1654453E-01 Gb(Abramov) 0.1490544E+00 Vb(Abramov) -0.1805499E+00 Hb(Abramov) -0.3149552E-01 Ex_ueg -0.3813961E-01 Ec_ueg -0.5832277E-02 Delta_ex -0.4708820E-01 Delta_ec 0.1358774E-01 Delta_et -0.1724085E+00 Pxc 0.6539403E+01 Qxc -0.3465491E+01 3,-1 166 3 -1 2.895198 -0.613218 -1.836380 Rho 0.1129976E+00 |GRAD(Rho)| 0.1851955E-15 GRAD(Rho)x 0.9889279E-16 GRAD(Rho)y -0.1206988E-15 GRAD(Rho)z 0.9974660E-16 Laplacian 0.4821212E+00 (-1/4)Del**2(Rho)) -0.1205303E+00 Diamond 0.7188084E+00 Metallicity 0.3774903E+01 Ellipticity 0.2609937E-01 Gb(Abramov) 0.1561852E+00 Vb(Abramov) -0.1918401E+00 Hb(Abramov) -0.3565493E-01 Ex_ueg -0.4034696E-01 Ec_ueg -0.6118914E-02 Delta_ex -0.4870094E-01 Delta_ec 0.1370395E-01 Delta_et -0.1751787E+00 Pxc 0.6593810E+01 Qxc -0.3553789E+01 3,-1 167 3 -1 2.980583 -0.904834 2.020780 Rho 0.1286986E+00 |GRAD(Rho)| 0.1899087E-15 GRAD(Rho)x 0.9479993E-16 GRAD(Rho)y -0.1581444E-15 GRAD(Rho)z -0.4548228E-16 Laplacian 0.5263706E+00 (-1/4)Del**2(Rho)) -0.1315927E+00 Diamond 0.9063041E+00 Metallicity 0.4294815E+01 Ellipticity 0.2404036E-01 Gb(Abramov) 0.1819228E+00 Vb(Abramov) -0.2322530E+00 Hb(Abramov) -0.5033014E-01 Ex_ueg -0.4798993E-01 Ec_ueg -0.7094206E-02 Delta_ex -0.5469035E-01 Delta_ec 0.1427398E-01 Delta_et -0.1864055E+00 Pxc 0.6764666E+01 Qxc -0.3831471E+01 3,-1 168 3 -1 2.845222 1.840783 0.593005 Rho 0.1618678E+00 |GRAD(Rho)| 0.3124042E-15 GRAD(Rho)x -0.9150666E-16 GRAD(Rho)y -0.1239243E-15 GRAD(Rho)z 0.2717824E-15 Laplacian 0.6629868E+00 (-1/4)Del**2(Rho)) -0.1657467E+00 Diamond 0.1464133E+01 Metallicity 0.4996994E+01 Ellipticity 0.1085031E-01 Gb(Abramov) 0.2485370E+00 Vb(Abramov) -0.3313273E+00 Hb(Abramov) -0.8279032E-01 Ex_ueg -0.6515266E-01 Ec_ueg -0.9207499E-02 Delta_ex -0.7247794E-01 Delta_ec 0.1637305E-01 Delta_et -0.2198327E+00 Pxc 0.7076043E+01 Qxc -0.4426661E+01 3,-1 169 3 -1 2.844273 -1.857935 -0.603101 Rho 0.1547431E+00 |GRAD(Rho)| 0.5389437E-15 GRAD(Rho)x -0.8237226E-16 GRAD(Rho)y -0.3521489E-15 GRAD(Rho)z 0.3995827E-15 Laplacian 0.6270138E+00 (-1/4)Del**2(Rho)) -0.1567535E+00 Diamond 0.1316994E+01 Metallicity 0.4901792E+01 Ellipticity 0.1442400E-01 Gb(Abramov) 0.2325644E+00 Vb(Abramov) -0.3083754E+00 Hb(Abramov) -0.7581099E-01 Ex_ueg -0.6135738E-01 Ec_ueg -0.8747829E-02 Delta_ex -0.6783404E-01 Delta_ec 0.1575055E-01 Delta_et -0.2104785E+00 Pxc 0.7014012E+01 Qxc -0.4306772E+01 3,-1 170 3 -1 2.956825 -2.052679 0.821832 Rho 0.1270899E+00 |GRAD(Rho)| 0.8906489E-16 GRAD(Rho)x 0.7913321E-16 GRAD(Rho)y 0.3571769E-16 GRAD(Rho)z -0.1986800E-16 Laplacian 0.5016119E+00 (-1/4)Del**2(Rho)) -0.1254030E+00 Diamond 0.8258262E+00 Metallicity 0.4413301E+01 Ellipticity 0.5597327E-02 Gb(Abramov) 0.1758422E+00 Vb(Abramov) -0.2262813E+00 Hb(Abramov) -0.5043919E-01 Ex_ueg -0.4719177E-01 Ec_ueg -0.6993499E-02 Delta_ex -0.5165220E-01 Delta_ec 0.1309063E-01 Delta_et -0.1696201E+00 Pxc 0.6747949E+01 Qxc -0.3945737E+01 3,-1 171 3 -1 3.025719 2.019541 -0.825164 Rho 0.1540082E+00 |GRAD(Rho)| 0.1837731E-14 GRAD(Rho)x -0.3108001E-15 GRAD(Rho)y 0.1028393E-14 GRAD(Rho)z 0.1490995E-14 Laplacian 0.6075843E+00 (-1/4)Del**2(Rho)) -0.1518961E+00 Diamond 0.1268477E+01 Metallicity 0.5018568E+01 Ellipticity 0.2255268E-01 Gb(Abramov) 0.2283142E+00 Vb(Abramov) -0.3047323E+00 Hb(Abramov) -0.7641809E-01 Ex_ueg -0.6096916E-01 Ec_ueg -0.8700589E-02 Delta_ex -0.6565069E-01 Delta_ec 0.1527331E-01 Delta_et -0.2039535E+00 Pxc 0.7007475E+01 Qxc -0.4298392E+01 3,-1 172 3 -1 3.224450 3.238853 0.070569 Rho 0.2349015E+00 |GRAD(Rho)| 0.9522874E-15 GRAD(Rho)x -0.5529431E-15 GRAD(Rho)y -0.6830474E-15 GRAD(Rho)z -0.3668127E-15 Laplacian 0.8516052E+00 (-1/4)Del**2(Rho)) -0.2129013E+00 Diamond 0.2940489E+01 Metallicity 0.7236320E+01 Ellipticity 0.3840345E-02 Gb(Abramov) 0.3987045E+00 Vb(Abramov) -0.5845078E+00 Hb(Abramov) -0.1858032E+00 Ex_ueg -0.1070449E+00 Ec_ueg -0.1408738E-01 Delta_ex -0.1023463E+00 Delta_ec 0.1898545E-01 Delta_et -0.2630019E+00 Pxc 0.7598640E+01 Qxc -0.5390776E+01 3,-1 173 3 -1 3.170618 -3.279829 -0.096246 Rho 0.2291519E+00 |GRAD(Rho)| 0.6200630E-13 GRAD(Rho)x -0.4112189E-13 GRAD(Rho)y 0.4580592E-13 GRAD(Rho)z 0.7455801E-14 Laplacian 0.8407072E+00 (-1/4)Del**2(Rho)) -0.2101768E+00 Diamond 0.2814898E+01 Metallicity 0.7033546E+01 Ellipticity 0.1265282E-01 Gb(Abramov) 0.3864992E+00 Vb(Abramov) -0.5628216E+00 Hb(Abramov) -0.1763224E+00 Ex_ueg -0.1035658E+00 Ec_ueg -0.1369244E-01 Delta_ex -0.1003724E+00 Delta_ec 0.1885122E-01 Delta_et -0.2607441E+00 Pxc 0.7563721E+01 Qxc -0.5324451E+01 3,-1 174 3 -1 3.051207 0.866930 -2.006534 Rho 0.1113297E+00 |GRAD(Rho)| 0.9652762E-16 GRAD(Rho)x 0.6098637E-17 GRAD(Rho)y 0.4350361E-17 GRAD(Rho)z -0.9623650E-16 Laplacian 0.4683480E+00 (-1/4)Del**2(Rho)) -0.1170870E+00 Diamond 0.6837655E+00 Metallicity 0.3790786E+01 Ellipticity 0.8527538E-02 Gb(Abramov) 0.1520333E+00 Vb(Abramov) -0.1869796E+00 Hb(Abramov) -0.3494629E-01 Ex_ueg -0.3955483E-01 Ec_ueg -0.6016330E-02 Delta_ex -0.4711407E-01 Delta_ec 0.1330082E-01 Delta_et -0.1694633E+00 Pxc 0.6574578E+01 Qxc -0.3542193E+01 3,-1 175 3 -1 -2.814627 -1.763984 0.579294 Rho 0.1496969E+00 |GRAD(Rho)| 0.4193418E-15 GRAD(Rho)x -0.4708826E-16 GRAD(Rho)y -0.4161439E-15 GRAD(Rho)z 0.2131813E-16 Laplacian 0.6270932E+00 (-1/4)Del**2(Rho)) -0.1567733E+00 Diamond 0.1261020E+01 Metallicity 0.4637697E+01 Ellipticity 0.1905236E-01 Gb(Abramov) 0.2256934E+00 Vb(Abramov) -0.2946135E+00 Hb(Abramov) -0.6892008E-01 Ex_ueg -0.5870415E-01 Ec_ueg -0.8424114E-02 Delta_ex -0.6724349E-01 Delta_ec 0.1579930E-01 Delta_et -0.2099857E+00 Pxc 0.6968584E+01 Qxc -0.4256107E+01 3,-1 176 3 -1 -3.020516 -0.933390 -2.052916 Rho 0.1275489E+00 |GRAD(Rho)| 0.4680520E-13 GRAD(Rho)x -0.2190817E-13 GRAD(Rho)y 0.2595283E-13 GRAD(Rho)z 0.3220574E-13 Laplacian 0.4864907E+00 (-1/4)Del**2(Rho)) -0.1216227E+00 Diamond 0.8248597E+00 Metallicity 0.4577900E+01 Ellipticity 0.3002580E-01 Gb(Abramov) 0.1738779E+00 Vb(Abramov) -0.2261330E+00 Hb(Abramov) -0.5225518E-01 Ex_ueg -0.4741916E-01 Ec_ueg -0.7022215E-02 Delta_ex -0.5039156E-01 Delta_ec 0.1313658E-01 Delta_et -0.1711425E+00 Pxc 0.6752736E+01 Qxc -0.3835973E+01 3,-1 177 3 -1 -0.813848 -3.455982 -1.258130 Rho 0.3131461E+00 |GRAD(Rho)| 0.2816422E-12 GRAD(Rho)x -0.2277597E-12 GRAD(Rho)y -0.1347031E-12 GRAD(Rho)z 0.9645181E-13 Laplacian -0.1601221E+01 (-1/4)Del**2(Rho)) 0.4003051E+00 Diamond 0.5433683E+01 Metallicity -0.6214513E+01 Ellipticity 0.2643869E-02 Gb(Abramov) 0.1477468E+00 Vb(Abramov) -0.6957988E+00 Hb(Abramov) -0.5480520E+00 Ex_ueg -0.1570536E+00 Ec_ueg -0.1964229E-01 Delta_ex 0.1581731E+00 Delta_ec 0.5574219E-01 Delta_et -0.1311906E+01 Pxc 0.7995684E+01 Qxc 0.2837583E+01 3,-1 178 3 -1 1.145722 -1.794815 -2.644019 Rho 0.3172798E+00 |GRAD(Rho)| 0.7620262E-12 GRAD(Rho)x 0.2304000E-12 GRAD(Rho)y 0.3729791E-12 GRAD(Rho)z -0.6232867E-12 Laplacian -0.1588289E+01 (-1/4)Del**2(Rho)) 0.3970723E+00 Diamond 0.5523694E+01 Metallicity -0.6403552E+01 Ellipticity 0.1655510E-02 Gb(Abramov) 0.1590640E+00 Vb(Abramov) -0.7152002E+00 Hb(Abramov) -0.5561362E+00 Ex_ueg -0.1598238E+00 Ec_ueg -0.1994517E-01 Delta_ex 0.1575287E+00 Delta_ec 0.5560748E-01 Delta_et -0.1314680E+01 Pxc 0.8013162E+01 Qxc 0.2832870E+01 3,-1 179 3 -1 1.828856 0.574863 2.844015 Rho 0.1264278E+00 |GRAD(Rho)| 0.1922788E-14 GRAD(Rho)x 0.1467224E-14 GRAD(Rho)y -0.1231112E-14 GRAD(Rho)z -0.1695082E-15 Laplacian 0.5395947E+00 (-1/4)Del**2(Rho)) -0.1348987E+00 Diamond 0.9112784E+00 Metallicity 0.4067082E+01 Ellipticity 0.2210514E-01 Gb(Abramov) 0.1813731E+00 Vb(Abramov) -0.2278475E+00 Hb(Abramov) -0.4647443E-01 Ex_ueg -0.4686425E-01 Ec_ueg -0.6952101E-02 Delta_ex -0.5584982E-01 Delta_ec 0.1473559E-01 Delta_et -0.1919209E+00 Pxc 0.6741019E+01 Qxc -0.3790130E+01 3,-1 180 3 -1 2.017748 0.833853 -3.047996 Rho 0.1116587E+00 |GRAD(Rho)| 0.3022177E-13 GRAD(Rho)x -0.2006870E-13 GRAD(Rho)y -0.8061531E-14 GRAD(Rho)z -0.2110958E-13 Laplacian 0.4580216E+00 (-1/4)Del**2(Rho)) -0.1145054E+00 Diamond 0.6732731E+00 Metallicity 0.3895365E+01 Ellipticity 0.8557575E-02 Gb(Abramov) 0.1506770E+00 Vb(Abramov) -0.1868486E+00 Hb(Abramov) -0.3617158E-01 Ex_ueg -0.3971078E-01 Ec_ueg -0.6036551E-02 Delta_ex -0.4613961E-01 Delta_ec 0.1305704E-01 Delta_et -0.1665333E+00 Pxc 0.6578390E+01 Qxc -0.3533695E+01 3,-1 181 3 -1 3.341865 -0.007633 -3.266445 Rho 0.2128380E+00 |GRAD(Rho)| 0.9025591E-15 GRAD(Rho)x -0.2372234E-15 GRAD(Rho)y 0.5243066E-15 GRAD(Rho)z -0.6952989E-15 Laplacian 0.7918820E+00 (-1/4)Del**2(Rho)) -0.1979705E+00 Diamond 0.2426289E+01 Metallicity 0.6602394E+01 Ellipticity 0.5635669E-02 Gb(Abramov) 0.3498268E+00 Vb(Abramov) -0.5016832E+00 Hb(Abramov) -0.1518564E+00 Ex_ueg -0.9385355E-01 Ec_ueg -0.1258173E-01 Delta_ex -0.9275602E-01 Delta_ec 0.1813732E-01 Delta_et -0.2498440E+00 Pxc 0.7459511E+01 Qxc -0.5114097E+01 3,-1 182 3 -1 3.246178 0.011711 3.265647 Rho 0.2111906E+00 |GRAD(Rho)| 0.1262676E-14 GRAD(Rho)x 0.6794695E-15 GRAD(Rho)y -0.8414764E-15 GRAD(Rho)z -0.6516055E-15 Laplacian 0.7885573E+00 (-1/4)Del**2(Rho)) -0.1971393E+00 Diamond 0.2393911E+01 Metallicity 0.6544917E+01 Ellipticity 0.6295312E-02 Gb(Abramov) 0.3464696E+00 Vb(Abramov) -0.4957999E+00 Hb(Abramov) -0.1493303E+00 Ex_ueg -0.9288617E-01 Ec_ueg -0.1247038E-01 Delta_ex -0.9218382E-01 Delta_ec 0.1810372E-01 Delta_et -0.2492648E+00 Pxc 0.7448544E+01 Qxc -0.5091982E+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 79 146 115 108 147 145 127 141 121 140 125 138 131 135 150 153 134 120 148 154 112 119 137 143 169 156 170 158 173 155 168 161 171 162 172 75 74 57 76 99 60 97 175 95 78 94 72 66 86 89 176 82 65 92 83 88 68 85 64 133 165 179 167 164 182 118 166 163 174 180 181 70 132 61 116 178 101 157 107 177 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 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 36 52 27 52 53 53 2.385202 1.998436 1.947185 1.899795 1.890012 1.751408 1.710318 1.698055 1.711029 1.719421 2.368031 1.940774 1.960836 1.915956 1.924640 1.750419 2.441814 1.953478 1.999746 2.058464 2.027873 1.794465 2.429686 1.904157 1.817367 1.993558 2.071370 1.761095 2.488848 1.886121 1.910789 1.914625 2.010619 1.751807 2.387949 1.855101 1.942157 1.992234 1.940598 1.757209 2.329190 1.914469 1.948808 1.932515 1.956598 1.750037 2.342968 2.129348 1.947655 1.989890 1.764587 1.763256 2.379562 1.988282 1.912917 1.942824 1.893488 1.750986 2.481502 2.034091 1.979362 1.981603 2.043086 1.792727 2.492331 2.020363 1.968472 2.034698 2.034299 1.789875 3.310098 3.046984 3.129111 3.318946 0.996324 3.254385 1.796358 1.806022 1.003248 2.387030 1.998839 1.947695 1.900276 1.890547 1.751419 1.710338 1.698116 1.711048 1.719431 2.369812 1.941210 1.961336 1.916452 1.925217 1.750430 2.443880 1.953674 1.999999 2.058748 2.028167 1.794469 2.431130 1.904395 1.817603 1.994095 2.071847 1.761113 2.490432 1.886415 1.911143 1.915147 2.011200 1.751817 2.389466 1.855430 1.942525 1.992746 1.941128 1.757223 2.331199 1.914987 1.949226 1.933171 1.957621 1.750054 2.345221 2.129722 1.948059 1.990472 1.764622 1.763280 2.381303 1.988686 1.913430 1.943442 1.893918 1.750995 2.483685 2.034279 1.979548 1.981965 2.043378 1.792728 2.494441 2.020708 1.969525 2.034990 2.034596 1.789877 3.566843 3.049620 3.132743 3.321109 0.996402 3.258365 1.805021 1.807063 1.003340 28 26 29 26 27 24 22 24 22 22 29 27 26 27 25 23 29 26 27 28 27 28 28 25 24 25 25 22 29 25 28 24 26 24 30 27 29 27 28 26 30 25 27 28 27 23 30 28 27 24 26 26 31 28 28 29 28 25 30 25 24 24 24 23 30 26 25 25 24 22 39 33 37 35 18 35 26 26 18 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 W As W Ta W W W W W W Ta Ta 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 2.4407 2.4868 2.4491 2.2259 2.3677 2.4380 2.4339 2.4489 2.3765 2.4441 2.2155 2.2096 -1.1101 -1.0311 -1.1076 -1.1188 -0.9601 -0.9973 -0.9510 -0.9823 -0.8479 -1.0176 -0.9827 -0.9659 -0.9720 -0.9735 -0.9877 -0.9233 -1.0300 -1.0017 -1.0067 -0.9875 -0.9945 -0.9979 -0.9918 -0.8273 -0.8271 -1.0159 -0.9788 -0.9860 -0.8350 -0.9358 -0.8298 -0.9465 -0.8654 -0.8436 -0.8528 -0.8262 -0.8590 -0.8342 -0.9432 0.2922 0.3164 2.1000 0.8398 2.1002 2.1033 2.1227 2.1060 2.0992 2.1127 2.1276 2.0992 2.1081 2.1120 1.9373 1.9465 1.9375 1.9332 1.9310 1.9270 1.9361 1.9292 1.8680 1.9234 1.9282 1.9297 1.9291 1.9282 1.9280 1.9530 1.9321 1.9378 1.9358 1.9379 1.9369 1.9363 1.9381 1.9533 1.8752 1.9350 1.9387 1.9377 1.9582 1.9416 1.9590 1.9407 1.9542 1.9587 1.9554 1.9589 1.9526 1.9584 1.9413 0.5566 0.5369 6.0945 1.1282 6.0952 6.0737 6.1185 6.1013 6.0942 6.0991 6.0982 6.0926 6.0786 6.0846 5.1359 5.0472 5.1340 5.1488 4.9998 5.0428 4.9861 5.0254 4.9520 5.0699 5.0256 5.0076 5.0140 5.0157 5.0325 4.9400 5.0721 5.0334 5.0428 5.0193 5.0282 5.0334 5.0243 4.8426 4.9223 5.0540 5.0098 5.0182 4.8436 4.9673 4.8373 4.9794 4.8794 4.8517 4.8652 4.8340 4.8749 4.8425 4.9754 0.1512 0.1467 3.3352 10.5452 3.3259 2.5628 3.3621 3.3253 3.3429 3.3098 3.3688 3.3345 2.5636 2.5601 0.0369 0.0374 0.0361 0.0368 0.0294 0.0275 0.0288 0.0277 0.0279 0.0242 0.0289 0.0286 0.0289 0.0297 0.0272 0.0303 0.0258 0.0306 0.0281 0.0303 0.0293 0.0282 0.0294 0.0315 0.0296 0.0269 0.0304 0.0301 0.0333 0.0268 0.0334 0.0263 0.0317 0.0332 0.0323 0.0333 0.0315 0.0333 0.0266 0.0000 0.0000 14.0296 0.0000 14.0296 14.0344 14.0290 14.0295 14.0298 14.0295 14.0289 14.0296 14.0341 14.0337 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 W As W Ta W W W W W W Ta Ta 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 2.503751 2.314731 2.509474 2.362291 2.474877 2.498154 2.494330 2.523035 2.493696 2.502546 2.361660 2.366518 -1.093346 -1.028477 -1.094207 -1.098404 -0.977948 -1.011622 -0.981914 -1.003234 -0.690661 -1.048326 -0.983764 -0.983303 -0.988736 -0.981266 -1.009606 -0.821971 -1.034307 -0.975459 -1.007301 -0.983130 -0.995598 -0.994864 -0.992640 -0.882711 -0.646731 -1.018631 -0.977626 -0.979778 -0.880246 -1.019384 -0.874258 -1.032307 -0.921464 -0.889032 -0.904148 -0.868660 -0.911531 -0.879049 -1.027741 0.034157 0.054158 1.929279 1.722359 1.933410 1.838652 1.897208 1.931922 1.917720 1.946869 1.933177 1.930187 1.840239 1.869119 -0.723438 -0.687992 -0.727318 -0.726782 -0.733889 -0.797040 -0.750315 -0.778309 -0.882178 -0.804767 -0.721625 -0.743697 -0.741643 -0.718858 -0.769841 -0.663180 -0.862731 -0.799313 -0.838331 -0.821724 -0.841854 -0.821538 -0.843135 -0.794513 -0.839574 -0.863294 -0.823493 -0.815777 -0.795435 -0.944691 -0.790460 -0.972020 -0.844758 -0.805036 -0.821141 -0.772428 -0.833785 -0.792344 -0.968978 0.302942 0.284139 2.036977 1.662452 2.043239 1.957369 2.008724 2.044572 2.026566 2.056390 2.027593 2.039291 1.963480 1.975802 -0.790255 -0.753441 -0.798768 -0.796733 -0.819403 -0.873610 -0.818103 -0.854449 -0.882395 -0.896826 -0.815606 -0.820986 -0.822310 -0.831088 -0.850315 -0.777219 -0.912521 -0.832849 -0.882203 -0.858014 -0.864821 -0.863301 -0.865464 -0.778109 -0.839949 -0.900673 -0.854318 -0.849471 -0.761642 -0.934183 -0.757130 -0.947392 -0.809539 -0.769351 -0.786733 -0.753173 -0.818479 -0.758089 -0.942478 0.344244 0.354692 -6.09633759 -5.66227052 -4.42454333 9.42354621 -19.24030541 6.02116041 -9.70233437 26.16725554 -3.37152158 -6.92695013 -373.9854 417.7885 -15.9336 -419.6077 -75.8751 -467.6133 Jun19-2024 14:20:00 Nodes: 1 Procs: 1 Jun19-2024 14:20:04 Nodes: 1 Procs: 1 0 Jun19-2024 14:20:08 Nodes: 1 Procs: 1 Jun19-2024 14:20:11 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 14:20:14 Nodes: 1 Procs: 1 Jun19-2024 14:20:17 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 14:20:21 Nodes: 1 Procs: 1 Jun19-2024 14:20:23 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 14:20:25 Nodes: 1 Procs: 1 Jun19-2024 14:20:28 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 14:20:33 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -16.68226523 -17.03061633 -16.98853801 -16.85712018 -17.02573488 -17.13846808 -17.15394014 -17.15834508 -17.16564959 -17.17111512 -17.17111198 -17.17748420 -17.18141836 -17.18180103 -17.18336663 -17.18378702 -17.18411104 -17.18423762 -17.18432569 -17.18437914 -17.18441836 -17.18445279 -17.18446511 -17.18447308 GEOMETRY CONVERGED