ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:57:44 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.06 2.91 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 11:57:44 Nodes: 1 Procs: 1 Jun19-2024 11:57:46 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:57:50 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.07 2.72 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 11:57:44 Nodes: 1 Procs: 1 Jun19-2024 11:57:46 Nodes: 1 Procs: 1 0 Jun19-2024 11:57:50 Nodes: 1 Procs: 1 Jun19-2024 11:57:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:57:57 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.04 1.58 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 11:57:44 Nodes: 1 Procs: 1 Jun19-2024 11:57:46 Nodes: 1 Procs: 1 0 Jun19-2024 11:57:50 Nodes: 1 Procs: 1 Jun19-2024 11:57:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:57:57 Nodes: 1 Procs: 1 Jun19-2024 11:57:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:58:00 Arsenic (TZP, 3p frozen) c11-8 c11-8 c11-8 c11-8 c11-8 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.07 2.64 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 11:57:44 Nodes: 1 Procs: 1 Jun19-2024 11:57:46 Nodes: 1 Procs: 1 0 Jun19-2024 11:57:50 Nodes: 1 Procs: 1 Jun19-2024 11:57:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:57:57 Nodes: 1 Procs: 1 Jun19-2024 11:57:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:58:00 Nodes: 1 Procs: 1 Jun19-2024 11:58:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 11:58:08 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2918.0855000000056 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288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 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 -7.058 -7.025 -6.981 -6.978 -6.973 -6.964 -6.907 -6.856 -6.669 -6.657 -3.885 -3.839 -3.556 -3.517 -3.436 -2.894 -2.843 -2.836 -2.827 -2.733 A A A A A A A A A A A A A A A A A A A A 0.00000000066263 0.00055254772834 0.00036360706793 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 74 74 74 74 74 74 74 74 74 74 74 73 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 8 33 0.107644 -2.552455 2.551808 -0.109261 -2.546016 -2.551058 -0.108048 2.547223 2.549577 2.551503 -2.546839 0.100030 2.556664 2.570734 -0.126956 -2.554661 2.564576 0.089509 -2.557847 -2.555812 -0.112711 -2.555791 -0.084419 -2.560325 -2.557913 0.108628 2.552891 2.554630 -0.105144 2.545902 2.559452 0.130912 -2.569845 0.111364 2.600846 -2.600098 0.977123 -0.977676 0.977348 -0.974700 -0.969237 -0.982188 0.985008 0.988135 -0.988566 -0.974632 0.981991 0.968940 -3.001520 -1.166401 1.166091 2.985779 -1.156831 -1.136350 -3.038864 1.137672 -1.138133 2.984302 1.136909 1.155464 1.159844 -1.164768 -2.993746 1.146164 1.146650 3.010983 -1.214313 1.142802 -3.041412 -1.145249 -1.149739 3.001948 -1.217750 3.038568 -1.148883 -1.147136 -2.999548 1.155293 1.156703 2.996376 1.160191 1.143699 -3.013481 -1.142234 3.411384 -1.524137 1.524443 -3.407688 -1.528855 -1.495082 3.439762 1.492231 -1.492829 -3.406877 1.496278 1.526174 1.510580 -1.512288 3.412782 1.577137 1.485334 -3.453311 -1.506816 1.503719 3.417260 -1.527171 -1.531547 -3.400019 -1.504313 -3.419945 -1.498979 -1.525073 3.402910 1.527417 1.512029 -3.410652 1.518088 1.579061 3.450896 -1.490085 -0.212809 -3.751663 3.753662 0.207300 -3.750005 -3.748292 -0.192601 3.828197 -3.829093 0.208372 3.747320 3.750767 3.751676 -3.748740 -0.217880 3.784615 3.729501 0.242404 -3.787905 3.744460 -0.183870 -3.748591 -3.763746 0.214446 -3.788242 0.186567 -3.741769 -3.748863 -0.215994 3.761338 3.753919 0.215955 3.747784 3.786815 -0.239833 -3.728746 0.012003 0.009781 -0.009977 1 3 -3 0.107644 -2.552455 2.551808 Rho 0.4361414E+07 3,-3 2 3 -3 -0.109261 -2.546016 -2.551058 Rho 0.4361414E+07 3,-3 3 3 -3 -0.108048 2.547223 2.549577 Rho 0.4361414E+07 3,-3 4 3 -3 2.551503 -2.546839 0.100030 Rho 0.4361414E+07 3,-3 5 3 -3 2.556664 2.570734 -0.126956 Rho 0.4361414E+07 3,-3 6 3 -3 -2.554661 2.564576 0.089509 Rho 0.4361414E+07 3,-3 7 3 -3 -2.557847 -2.555812 -0.112711 Rho 0.4361414E+07 3,-3 8 3 -3 -2.555791 -0.084419 -2.560325 Rho 0.4361414E+07 3,-3 9 3 -3 -2.557913 0.108628 2.552891 Rho 0.4361414E+07 3,-3 10 3 -3 2.554630 -0.105144 2.545902 Rho 0.4361414E+07 3,-3 11 3 -3 2.559452 0.130912 -2.569845 Rho 0.4361414E+07 3,-3 12 3 -3 0.111364 2.600846 -2.600098 Rho 0.3882646E+07 3,-3 13 3 -3 0.977123 -0.977676 0.977348 Rho 0.3190175E+03 3,-3 14 3 -3 -0.974700 -0.969237 -0.982188 Rho 0.3190227E+03 3,-3 15 3 -3 0.985008 0.988135 -0.988566 Rho 0.3190187E+03 3,-3 16 3 -3 -0.974632 0.981991 0.968940 Rho 0.3190229E+03 3,-3 17 3 -3 -3.001520 -1.166401 1.166091 Rho 0.3188649E+03 3,-3 18 3 -3 2.985779 -1.156831 -1.136350 Rho 0.3188752E+03 3,-3 19 3 -3 -3.038864 1.137672 -1.138133 Rho 0.3188598E+03 3,-3 20 3 -3 2.984302 1.136909 1.155464 Rho 0.3188744E+03 3,-3 21 3 -3 1.159844 -1.164768 -2.993746 Rho 0.3188622E+03 3,-3 22 3 -3 1.146164 1.146650 3.010983 Rho 0.3188684E+03 3,-3 23 3 -3 -1.214313 1.142802 -3.041412 Rho 0.3188735E+03 3,-3 24 3 -3 -1.145249 -1.149739 3.001948 Rho 0.3188692E+03 3,-3 25 3 -3 -1.217750 3.038568 -1.148883 Rho 0.3188714E+03 3,-3 26 3 -3 -1.147136 -2.999548 1.155293 Rho 0.3188689E+03 3,-3 27 3 -3 1.156703 2.996376 1.160191 Rho 0.3188621E+03 3,-3 28 3 -3 1.143699 -3.013481 -1.142234 Rho 0.3188688E+03 3,-3 29 3 -3 3.411384 -1.524137 1.524443 Rho 0.3189687E+03 3,-3 30 3 -3 -3.407688 -1.528855 -1.495082 Rho 0.3189740E+03 3,-3 31 3 -3 3.439762 1.492231 -1.492829 Rho 0.3189594E+03 3,-3 32 3 -3 -3.406877 1.496278 1.526174 Rho 0.3189732E+03 3,-3 33 3 -3 1.510580 -1.512288 3.412782 Rho 0.3189708E+03 3,-3 34 3 -3 1.577137 1.485334 -3.453311 Rho 0.3189566E+03 3,-3 35 3 -3 -1.506816 1.503719 3.417260 Rho 0.3189680E+03 3,-3 36 3 -3 -1.527171 -1.531547 -3.400019 Rho 0.3189657E+03 3,-3 37 3 -3 -1.504313 -3.419945 -1.498979 Rho 0.3189678E+03 3,-3 38 3 -3 -1.525073 3.402910 1.527417 Rho 0.3189652E+03 3,-3 39 3 -3 1.512029 -3.410652 1.518088 Rho 0.3189710E+03 3,-3 40 3 -3 1.579061 3.450896 -1.490085 Rho 0.3189551E+03 3,-3 41 3 -3 -0.212809 -3.751663 3.753662 Rho 0.3193778E+03 3,-3 42 3 -3 0.207300 -3.750005 -3.748292 Rho 0.3193823E+03 3,-3 43 3 -3 -0.192601 3.828197 -3.829093 Rho 0.3192262E+03 3,-3 44 3 -3 0.208372 3.747320 3.750767 Rho 0.3193822E+03 3,-3 45 3 -3 3.751676 -3.748740 -0.217880 Rho 0.3193770E+03 3,-3 46 3 -3 3.784615 3.729501 0.242404 Rho 0.3193743E+03 3,-3 47 3 -3 -3.787905 3.744460 -0.183870 Rho 0.3193727E+03 3,-3 48 3 -3 -3.748591 -3.763746 0.214446 Rho 0.3193793E+03 3,-3 49 3 -3 -3.788242 0.186567 -3.741769 Rho 0.3193723E+03 3,-3 50 3 -3 -3.748863 -0.215994 3.761338 Rho 0.3193791E+03 3,-3 51 3 -3 3.753919 0.215955 3.747784 Rho 0.3193771E+03 3,-3 52 3 -3 3.786815 -0.239833 -3.728746 Rho 0.3193745E+03 3,-3 53 3 -3 0.012003 0.009781 -0.009977 Rho 0.4276079E+05 3,-3 54 3 +1 -0.528862 0.566464 -1.686516 Rho 0.8422440E-02 |GRAD(Rho)| 0.8387235E-14 GRAD(Rho)x 0.5929510E-14 GRAD(Rho)y 0.5516546E-14 GRAD(Rho)z 0.2180443E-14 Laplacian 0.3210351E-01 (-1/4)Del**2(Rho)) -0.8025876E-02 Diamond 0.8376452E-03 Metallicity 0.7483829E+00 Ellipticity -0.1467172E+01 Gb(Abramov) 0.6351656E-02 Vb(Abramov) -0.4677435E-02 Hb(Abramov) 0.1674221E-02 Ex_ueg -0.1265617E-02 Ec_ueg -0.2970426E-03 Delta_ex -0.1460097E-02 Delta_ec 0.4538945E-03 Delta_et -0.3083986E-02 Pxc 0.4260725E+01 Qxc -0.3216821E+01 3,+1 55 3 +1 -1.244575 -2.169063 -1.199535 Rho 0.2871506E-01 |GRAD(Rho)| 0.2379905E-14 GRAD(Rho)x -0.1136011E-14 GRAD(Rho)y -0.2089851E-14 GRAD(Rho)z -0.7715342E-16 Laplacian 0.1173980E+00 (-1/4)Del**2(Rho)) -0.2934950E-01 Diamond 0.2016997E-01 Metallicity 0.1580527E+01 Ellipticity -0.8256493E+01 Gb(Abramov) 0.2729761E-01 Vb(Abramov) -0.2524573E-01 Hb(Abramov) 0.2051887E-02 Ex_ueg -0.6494284E-02 Ec_ueg -0.1277521E-02 Delta_ex -0.7721327E-02 Delta_ec 0.2248028E-02 Delta_et -0.2048730E-01 Pxc 0.5083506E+01 Qxc -0.3434712E+01 3,+1 56 3 +3 1.102383 -1.113522 -1.111043 Rho 0.5383743E-02 |GRAD(Rho)| 0.1074266E-15 GRAD(Rho)x -0.1023680E-15 GRAD(Rho)y 0.2603572E-16 GRAD(Rho)z -0.1958107E-16 Laplacian 0.2089232E-01 (-1/4)Del**2(Rho)) -0.5223079E-02 Diamond 0.1581922E-03 Metallicity 0.5454653E+00 Ellipticity -0.9567783E-01 Gb(Abramov) 0.3956887E-02 Vb(Abramov) -0.2690696E-02 Hb(Abramov) 0.1266192E-02 Ex_ueg -0.6968899E-03 Ec_ueg -0.1634640E-03 Delta_ex -0.7340713E-03 Delta_ec 0.8711758E-04 Delta_et -0.7124552E-03 Pxc 0.4263261E+01 Qxc -0.8426213E+01 3,+3 57 3 +1 -1.661952 -0.534038 0.533145 Rho 0.8653951E-02 |GRAD(Rho)| 0.3325432E-15 GRAD(Rho)x -0.2693801E-15 GRAD(Rho)y -0.7203722E-16 GRAD(Rho)z 0.1811904E-15 Laplacian 0.3366858E-01 (-1/4)Del**2(Rho)) -0.8417144E-02 Diamond 0.9053503E-03 Metallicity 0.7465848E+00 Ellipticity -0.1446897E+01 Gb(Abramov) 0.6658781E-02 Vb(Abramov) -0.4900419E-02 Hb(Abramov) 0.1758363E-02 Ex_ueg -0.1312213E-02 Ec_ueg -0.3073947E-03 Delta_ex -0.1539041E-02 Delta_ec 0.4710777E-03 Delta_et -0.3227161E-02 Pxc 0.4268821E+01 Qxc -0.3267063E+01 3,+1 58 3 -1 -0.462757 0.478087 0.461790 Rho 0.1868099E+00 |GRAD(Rho)| 0.6745197E-15 GRAD(Rho)x 0.6036838E-15 GRAD(Rho)y -0.1075529E-15 GRAD(Rho)z 0.2810252E-15 Laplacian 0.5158217E+00 (-1/4)Del**2(Rho)) -0.1289554E+00 Diamond 0.1390015E+01 Metallicity 0.8155429E+01 Ellipticity 0.5204457E-03 Gb(Abramov) 0.2612514E+00 Vb(Abramov) -0.3935474E+00 Hb(Abramov) -0.1322960E+00 Ex_ueg -0.7887117E-01 Ec_ueg -0.1084022E-01 Delta_ex -0.5872930E-01 Delta_ec 0.1276068E-01 Delta_et -0.1755922E+00 Pxc 0.7275793E+01 Qxc -0.4602364E+01 3,-1 59 3 -1 -3.202673 -0.066457 3.207167 Rho 0.2505845E+00 |GRAD(Rho)| 0.8131539E-14 GRAD(Rho)x 0.5743019E-14 GRAD(Rho)y 0.5693281E-14 GRAD(Rho)z 0.8521829E-15 Laplacian 0.9096718E+00 (-1/4)Del**2(Rho)) -0.2274179E+00 Diamond 0.3378895E+01 Metallicity 0.7544874E+01 Ellipticity 0.1613574E-02 Gb(Abramov) 0.4375853E+00 Vb(Abramov) -0.6477526E+00 Hb(Abramov) -0.2101673E+00 Ex_ueg -0.1166784E+00 Ec_ueg -0.1517385E-01 Delta_ex -0.1111059E+00 Delta_ec 0.1974816E-01 Delta_et -0.2734633E+00 Pxc 0.7689440E+01 Qxc -0.5626138E+01 3,-1 60 3 +1 -2.919844 -0.175296 -0.149963 Rho 0.5450896E-02 |GRAD(Rho)| 0.2253409E-17 GRAD(Rho)x 0.7642662E-18 GRAD(Rho)y 0.2286083E-18 GRAD(Rho)z 0.2107484E-17 Laplacian 0.2244309E-01 (-1/4)Del**2(Rho)) -0.5610774E-02 Diamond 0.5677479E-03 Metallicity 0.5183745E+00 Ellipticity -0.2827138E+01 Gb(Abramov) 0.4225263E-02 Vb(Abramov) -0.2839752E-02 Hb(Abramov) 0.1385511E-02 Ex_ueg -0.7085040E-03 Ec_ueg -0.1663680E-03 Delta_ex -0.1118115E-02 Delta_ec 0.6770775E-03 Delta_et -0.3785462E-02 Pxc 0.4258655E+01 Qxc -0.1651383E+01 3,+1 61 3 -1 -2.992664 -1.996790 -0.848754 Rho 0.1514270E+00 |GRAD(Rho)| 0.3964518E-13 GRAD(Rho)x 0.1616323E-13 GRAD(Rho)y -0.2275170E-13 GRAD(Rho)z 0.2815760E-13 Laplacian 0.5957654E+00 (-1/4)Del**2(Rho)) -0.1489413E+00 Diamond 0.1222868E+01 Metallicity 0.4975961E+01 Ellipticity 0.4239806E-01 Gb(Abramov) 0.2228153E+00 Vb(Abramov) -0.2966892E+00 Hb(Abramov) -0.7387395E-01 Ex_ueg -0.5961053E-01 Ec_ueg -0.8534928E-02 Delta_ex -0.6414589E-01 Delta_ec 0.1511095E-01 Delta_et -0.2014916E+00 Pxc 0.6984304E+01 Qxc -0.4244994E+01 3,-1 62 3 +1 -1.774126 1.753948 -1.757219 Rho 0.1184861E-01 |GRAD(Rho)| 0.2193380E-14 GRAD(Rho)x -0.1843594E-14 GRAD(Rho)y -0.8561063E-15 GRAD(Rho)z 0.8241117E-15 Laplacian 0.5825303E-01 (-1/4)Del**2(Rho)) -0.1456326E-01 Diamond 0.2263899E-02 Metallicity 0.7284621E+00 Ellipticity -0.1258118E+01 Gb(Abramov) 0.1147697E-01 Vb(Abramov) -0.8390680E-02 Hb(Abramov) 0.3086289E-02 Ex_ueg -0.1994994E-02 Ec_ueg -0.4525848E-03 Delta_ex -0.2845001E-02 Delta_ec 0.7403691E-03 Delta_et -0.5546500E-02 Pxc 0.4408000E+01 Qxc -0.3842679E+01 3,+1 63 3 +3 -2.316856 -0.007614 0.007910 Rho 0.4676780E-02 |GRAD(Rho)| 0.7223844E-15 GRAD(Rho)x 0.5268938E-15 GRAD(Rho)y 0.3550390E-15 GRAD(Rho)z 0.3437579E-15 Laplacian 0.1908454E-01 (-1/4)Del**2(Rho)) -0.4771134E-02 Diamond 0.1691472E-03 Metallicity 0.4722549E+00 Ellipticity -0.2945374E+00 Gb(Abramov) 0.3556288E-02 Vb(Abramov) -0.2341442E-02 Hb(Abramov) 0.1214846E-02 Ex_ueg -0.5776272E-03 Ec_ueg -0.1330299E-03 Delta_ex -0.6955065E-03 Delta_ec 0.1702018E-03 Delta_et -0.1081301E-02 Pxc 0.4342084E+01 Qxc -0.4086365E+01 3,+3 64 3 -1 -2.988232 -0.849650 -1.983410 Rho 0.1279973E+00 |GRAD(Rho)| 0.3702567E-15 GRAD(Rho)x 0.1805874E-15 GRAD(Rho)y 0.2929785E-15 GRAD(Rho)z -0.1365349E-15 Laplacian 0.5082420E+00 (-1/4)Del**2(Rho)) -0.1270605E+00 Diamond 0.8526820E+00 Metallicity 0.4407688E+01 Ellipticity 0.2432160E-01 Gb(Abramov) 0.1780475E+00 Vb(Abramov) -0.2290345E+00 Hb(Abramov) -0.5098701E-01 Ex_ueg -0.4764160E-01 Ec_ueg -0.7050285E-02 Delta_ex -0.5253252E-01 Delta_ec 0.1343352E-01 Delta_et -0.1746190E+00 Pxc 0.6757400E+01 Qxc -0.3910555E+01 3,-1 65 3 +1 -0.530904 1.685491 -0.567917 Rho 0.8405591E-02 |GRAD(Rho)| 0.9148134E-13 GRAD(Rho)x 0.6191786E-13 GRAD(Rho)y -0.1846688E-13 GRAD(Rho)z 0.6476101E-13 Laplacian 0.3202182E-01 (-1/4)Del**2(Rho)) -0.8005455E-02 Diamond 0.8335426E-03 Metallicity 0.7477921E+00 Ellipticity -0.1467394E+01 Gb(Abramov) 0.6334706E-02 Vb(Abramov) -0.4663957E-02 Hb(Abramov) 0.1670749E-02 Ex_ueg -0.1262242E-02 Ec_ueg -0.2962901E-03 Delta_ex -0.1455788E-02 Delta_ec 0.4529926E-03 Delta_et -0.3076063E-02 Pxc 0.4260156E+01 Qxc -0.3213713E+01 3,+1 66 3 -1 -3.222360 3.203348 -0.057779 Rho 0.2499124E+00 |GRAD(Rho)| 0.1510476E-10 GRAD(Rho)x -0.1077452E-10 GRAD(Rho)y 0.1031257E-10 GRAD(Rho)z -0.2390524E-11 Laplacian 0.9073127E+00 (-1/4)Del**2(Rho)) -0.2268282E+00 Diamond 0.3358788E+01 Metallicity 0.7530710E+01 Ellipticity 0.3015388E-02 Gb(Abramov) 0.4359150E+00 Vb(Abramov) -0.6450018E+00 Hb(Abramov) -0.2090868E+00 Ex_ueg -0.1162614E+00 Ec_ueg -0.1512702E-01 Delta_ex -0.1107373E+00 Delta_ec 0.1970883E-01 Delta_et -0.2728841E+00 Pxc 0.7685677E+01 Qxc -0.5618666E+01 3,-1 67 3 -1 -2.795982 1.802005 -0.563585 Rho 0.1385903E+00 |GRAD(Rho)| 0.1037405E-14 GRAD(Rho)x -0.8429672E-17 GRAD(Rho)y 0.9219242E-15 GRAD(Rho)z 0.4755988E-15 Laplacian 0.5786067E+00 (-1/4)Del**2(Rho)) -0.1446517E+00 Diamond 0.1065586E+01 Metallicity 0.4420294E+01 Ellipticity 0.8632226E-02 Gb(Abramov) 0.2030016E+00 Vb(Abramov) -0.2613516E+00 Hb(Abramov) -0.5834994E-01 Ex_ueg -0.5296987E-01 Ec_ueg -0.7717180E-02 Delta_ex -0.6093909E-01 Delta_ec 0.1495552E-01 Delta_et -0.1967778E+00 Pxc 0.6863890E+01 Qxc -0.4074688E+01 3,-1 68 3 +1 -1.287352 2.169412 1.167433 Rho 0.2915043E-01 |GRAD(Rho)| 0.2955122E-16 GRAD(Rho)x -0.1283648E-16 GRAD(Rho)y 0.2659223E-16 GRAD(Rho)z 0.1163139E-17 Laplacian 0.1196910E+00 (-1/4)Del**2(Rho)) -0.2992275E-01 Diamond 0.2100537E-01 Metallicity 0.1589619E+01 Ellipticity -0.8536897E+01 Gb(Abramov) 0.2787613E-01 Vb(Abramov) -0.2582951E-01 Hb(Abramov) 0.2046621E-02 Ex_ueg -0.6625901E-02 Ec_ueg -0.1299869E-02 Delta_ex -0.7904574E-02 Delta_ec 0.2293777E-02 Delta_et -0.2098253E-01 Pxc 0.5097361E+01 Qxc -0.3446096E+01 3,+1 69 3 -1 -3.223055 0.061556 -3.199953 Rho 0.2498356E+00 |GRAD(Rho)| 0.3594276E-15 GRAD(Rho)x -0.1666419E-15 GRAD(Rho)y -0.2244298E-16 GRAD(Rho)z -0.3176712E-15 Laplacian 0.9070956E+00 (-1/4)Del**2(Rho)) -0.2267739E+00 Diamond 0.3356658E+01 Metallicity 0.7528654E+01 Ellipticity 0.2900492E-02 Gb(Abramov) 0.4357330E+00 Vb(Abramov) -0.6446920E+00 Hb(Abramov) -0.2089591E+00 Ex_ueg -0.1162137E+00 Ec_ueg -0.1512167E-01 Delta_ex -0.1107014E+00 Delta_ec 0.1970520E-01 Delta_et -0.2728286E+00 Pxc 0.7685246E+01 Qxc -0.5617881E+01 3,-1 70 3 -1 -2.923444 -0.014060 0.011764 Rho 0.5484598E-02 |GRAD(Rho)| 0.6700105E-15 GRAD(Rho)x -0.3496217E-15 GRAD(Rho)y 0.4513931E-15 GRAD(Rho)z -0.3506038E-15 Laplacian 0.2196170E-01 (-1/4)Del**2(Rho)) -0.5490425E-02 Diamond 0.6661970E-03 Metallicity 0.5352071E+00 Ellipticity 0.3039944E+01 Gb(Abramov) 0.4150036E-02 Vb(Abramov) -0.2809647E-02 Hb(Abramov) 0.1340389E-02 Ex_ueg -0.7143507E-03 Ec_ueg -0.1678263E-03 Delta_ex -0.1182477E-02 Delta_ec 0.8178971E-03 Delta_et -0.4516372E-02 Pxc 0.4256489E+01 Qxc -0.1445753E+01 3,-1 71 3 +1 -2.920052 0.150436 0.175192 Rho 0.5449487E-02 |GRAD(Rho)| 0.5318768E-15 GRAD(Rho)x -0.2729994E-15 GRAD(Rho)y 0.4161859E-15 GRAD(Rho)z -0.1874928E-15 Laplacian 0.2244390E-01 (-1/4)Del**2(Rho)) -0.5610974E-02 Diamond 0.5666651E-03 Metallicity 0.5181326E+00 Ellipticity -0.2797146E+01 Gb(Abramov) 0.4225188E-02 Vb(Abramov) -0.2839401E-02 Hb(Abramov) 0.1385787E-02 Ex_ueg -0.7082598E-03 Ec_ueg -0.1663071E-03 Delta_ex -0.1117347E-02 Delta_ec 0.6757630E-03 Delta_et -0.3778380E-02 Pxc 0.4258747E+01 Qxc -0.1653461E+01 3,+1 72 3 -1 -2.777554 -0.570071 1.811409 Rho 0.1412538E+00 |GRAD(Rho)| 0.2301579E-12 GRAD(Rho)x 0.4002782E-13 GRAD(Rho)y 0.1524859E-12 GRAD(Rho)z 0.1676857E-12 Laplacian 0.5949314E+00 (-1/4)Del**2(Rho)) -0.1487329E+00 Diamond 0.1121411E+01 Metallicity 0.4437582E+01 Ellipticity 0.9211168E-02 Gb(Abramov) 0.2091576E+00 Vb(Abramov) -0.2695824E+00 Hb(Abramov) -0.6042475E-01 Ex_ueg -0.5433152E-01 Ec_ueg -0.7886002E-02 Delta_ex -0.6295412E-01 Delta_ec 0.1531436E-01 Delta_et -0.2020944E+00 Pxc 0.6889615E+01 Qxc -0.4110791E+01 3,-1 73 3 -1 -2.796628 0.566201 -1.799893 Rho 0.1411457E+00 |GRAD(Rho)| 0.1242827E-15 GRAD(Rho)x -0.3365092E-16 GRAD(Rho)y -0.8941957E-16 GRAD(Rho)z 0.7948557E-16 Laplacian 0.5897515E+00 (-1/4)Del**2(Rho)) -0.1474379E+00 Diamond 0.1109591E+01 Metallicity 0.4470850E+01 Ellipticity 0.8445147E-02 Gb(Abramov) 0.2081540E+00 Vb(Abramov) -0.2688702E+00 Hb(Abramov) -0.6071614E-01 Ex_ueg -0.5427608E-01 Ec_ueg -0.7879141E-02 Delta_ex -0.6238317E-01 Delta_ec 0.1516392E-01 Delta_et -0.2000442E+00 Pxc 0.6888578E+01 Qxc -0.4113923E+01 3,-1 74 3 -1 -2.992002 0.847423 1.994217 Rho 0.1501841E+00 |GRAD(Rho)| 0.7376990E-13 GRAD(Rho)x -0.5383122E-13 GRAD(Rho)y -0.9257135E-14 GRAD(Rho)z -0.4958329E-13 Laplacian 0.5908653E+00 (-1/4)Del**2(Rho)) -0.1477163E+00 Diamond 0.1200887E+01 Metallicity 0.4948776E+01 Ellipticity 0.4154148E-01 Gb(Abramov) 0.2203134E+00 Vb(Abramov) -0.2929104E+00 Hb(Abramov) -0.7259706E-01 Ex_ueg -0.5895901E-01 Ec_ueg -0.8455298E-02 Delta_ex -0.6348973E-01 Delta_ec 0.1501782E-01 Delta_et -0.2000220E+00 Pxc 0.6973026E+01 Qxc -0.4227627E+01 3,-1 75 3 +1 -1.304234 -1.152503 -2.168140 Rho 0.2918792E-01 |GRAD(Rho)| 0.6590805E-16 GRAD(Rho)x 0.2801212E-16 GRAD(Rho)y 0.3599347E-17 GRAD(Rho)z 0.5955029E-16 Laplacian 0.1194452E+00 (-1/4)Del**2(Rho)) -0.2986131E-01 Diamond 0.2077319E-01 Metallicity 0.1596307E+01 Ellipticity -0.7484124E+01 Gb(Abramov) 0.2785217E-01 Vb(Abramov) -0.2584304E-01 Hb(Abramov) 0.2009135E-02 Ex_ueg -0.6637267E-02 Ec_ueg -0.1301796E-02 Delta_ex -0.7871050E-02 Delta_ec 0.2253402E-02 Delta_et -0.2062335E-01 Pxc 0.5098547E+01 Qxc -0.3492964E+01 3,+1 76 3 -1 -1.728819 -0.518325 -1.734157 Rho 0.4586442E-01 |GRAD(Rho)| 0.2043210E-12 GRAD(Rho)x 0.6469829E-13 GRAD(Rho)y 0.1511998E-12 GRAD(Rho)z -0.1212427E-12 Laplacian 0.1868552E+00 (-1/4)Del**2(Rho)) -0.4671380E-01 Diamond 0.8341052E-01 Metallicity 0.2167211E+01 Ellipticity 0.1055024E-01 Gb(Abramov) 0.4801564E-01 Vb(Abramov) -0.4931749E-01 Hb(Abramov) -0.1301846E-02 Ex_ueg -0.1212513E-01 Ec_ueg -0.2187583E-02 Delta_ex -0.1501107E-01 Delta_ec 0.5500128E-02 Delta_et -0.5668124E-01 Pxc 0.5542706E+01 Qxc -0.2729222E+01 3,-1 77 3 +1 -0.531486 -1.659303 0.522861 Rho 0.8825677E-02 |GRAD(Rho)| 0.2432201E-14 GRAD(Rho)x -0.1733872E-14 GRAD(Rho)y -0.4994274E-15 GRAD(Rho)z -0.1630909E-14 Laplacian 0.3439706E-01 (-1/4)Del**2(Rho)) -0.8599264E-02 Diamond 0.9468713E-03 Metallicity 0.7551014E+00 Ellipticity -0.1449442E+01 Gb(Abramov) 0.6815062E-02 Vb(Abramov) -0.5030860E-02 Hb(Abramov) 0.1784202E-02 Ex_ueg -0.1347046E-02 Ec_ueg -0.3150888E-03 Delta_ex -0.1578816E-02 Delta_ec 0.4787991E-03 Delta_et -0.3298631E-02 Pxc 0.4275131E+01 Qxc -0.3297450E+01 3,+1 78 3 -1 -3.202496 -3.209801 0.063757 Rho 0.2505965E+00 |GRAD(Rho)| 0.7861965E-16 GRAD(Rho)x 0.5421011E-17 GRAD(Rho)y 0.8890458E-17 GRAD(Rho)z -0.7792703E-16 Laplacian 0.9097102E+00 (-1/4)Del**2(Rho)) -0.2274276E+00 Diamond 0.3379175E+01 Metallicity 0.7545162E+01 Ellipticity 0.1574144E-02 Gb(Abramov) 0.4376146E+00 Vb(Abramov) -0.6478017E+00 Hb(Abramov) -0.2101871E+00 Ex_ueg -0.1166859E+00 Ec_ueg -0.1517470E-01 Delta_ex -0.1111117E+00 Delta_ec 0.1974819E-01 Delta_et -0.2734614E+00 Pxc 0.7689507E+01 Qxc -0.5626426E+01 3,-1 79 3 -1 -2.987556 1.985701 0.850594 Rho 0.1292304E+00 |GRAD(Rho)| 0.6049538E-15 GRAD(Rho)x 0.2501525E-15 GRAD(Rho)y 0.4881349E-15 GRAD(Rho)z 0.2551805E-15 Laplacian 0.5133494E+00 (-1/4)Del**2(Rho)) -0.1283373E+00 Diamond 0.8712850E+00 Metallicity 0.4434125E+01 Ellipticity 0.2518717E-01 Gb(Abramov) 0.1804022E+00 Vb(Abramov) -0.2324671E+00 Hb(Abramov) -0.5206486E-01 Ex_ueg -0.4825452E-01 Ec_ueg -0.7127535E-02 Delta_ex -0.5318363E-01 Delta_ec 0.1353878E-01 Delta_et -0.1762671E+00 Pxc 0.6770155E+01 Qxc -0.3928243E+01 3,-1 80 3 -1 -2.777415 -1.813197 0.567778 Rho 0.1397058E+00 |GRAD(Rho)| 0.1824384E-15 GRAD(Rho)x 0.1144104E-15 GRAD(Rho)y -0.4338164E-16 GRAD(Rho)z -0.1353220E-15 Laplacian 0.5881287E+00 (-1/4)Del**2(Rho)) -0.1470322E+00 Diamond 0.1094423E+01 Metallicity 0.4407223E+01 Ellipticity 0.9345307E-02 Gb(Abramov) 0.2060220E+00 Vb(Abramov) -0.2650119E+00 Hb(Abramov) -0.5898986E-01 Ex_ueg -0.5353910E-01 Ec_ueg -0.7787831E-02 Delta_ex -0.6207190E-01 Delta_ec 0.1518804E-01 Delta_et -0.2001133E+00 Pxc 0.6874713E+01 Qxc -0.4086892E+01 3,-1 81 3 +1 -2.167454 -1.142556 -1.305586 Rho 0.2879407E-01 |GRAD(Rho)| 0.1763268E-16 GRAD(Rho)x -0.1468515E-16 GRAD(Rho)y 0.7067594E-17 GRAD(Rho)z 0.6731033E-17 Laplacian 0.1173320E+00 (-1/4)Del**2(Rho)) -0.2933301E-01 Diamond 0.1988257E-01 Metallicity 0.1588674E+01 Ellipticity -0.6654409E+01 Gb(Abramov) 0.2732211E-01 Vb(Abramov) -0.2531121E-01 Hb(Abramov) 0.2010903E-02 Ex_ueg -0.6518121E-02 Ec_ueg -0.1281573E-02 Delta_ex -0.7690904E-02 Delta_ec 0.2190175E-02 Delta_et -0.1997996E-01 Pxc 0.5086031E+01 Qxc -0.3511548E+01 3,+1 82 3 +1 -0.529425 -0.522298 1.659767 Rho 0.8839411E-02 |GRAD(Rho)| 0.3801530E-12 GRAD(Rho)x -0.1047440E-12 GRAD(Rho)y -0.3074549E-12 GRAD(Rho)z -0.1975259E-12 Laplacian 0.3445471E-01 (-1/4)Del**2(Rho)) -0.8613677E-02 Diamond 0.9495357E-03 Metallicity 0.7557940E+00 Ellipticity -0.1448837E+01 Gb(Abramov) 0.6827479E-02 Vb(Abramov) -0.5041281E-02 Hb(Abramov) 0.1786198E-02 Ex_ueg -0.1349842E-02 Ec_ueg -0.3157047E-03 Delta_ex -0.1581681E-02 Delta_ec 0.4788758E-03 Delta_et -0.3301064E-02 Pxc 0.4275646E+01 Qxc -0.3302905E+01 3,+1 83 3 +1 -1.739630 -1.745989 1.748843 Rho 0.1249599E-01 |GRAD(Rho)| 0.1724563E-16 GRAD(Rho)x -0.8823502E-17 GRAD(Rho)y 0.1471135E-16 GRAD(Rho)z 0.1770215E-17 Laplacian 0.6320625E-01 (-1/4)Del**2(Rho)) -0.1580156E-01 Diamond 0.2650151E-02 Metallicity 0.7336199E+00 Ellipticity -0.1241324E+01 Gb(Abramov) 0.1246643E-01 Vb(Abramov) -0.9131301E-02 Hb(Abramov) 0.3335131E-02 Ex_ueg -0.2141638E-02 Ec_ueg -0.4825139E-03 Delta_ex -0.3132832E-02 Delta_ec 0.8071035E-03 Delta_et -0.6122065E-02 Pxc 0.4438500E+01 Qxc -0.3881574E+01 3,+1 84 3 +3 -1.106035 -1.099729 1.099673 Rho 0.5211774E-02 |GRAD(Rho)| 0.2227192E-14 GRAD(Rho)x -0.1351752E-14 GRAD(Rho)y -0.1253286E-14 GRAD(Rho)z 0.1249970E-14 Laplacian 0.2028193E-01 (-1/4)Del**2(Rho)) -0.5070482E-02 Diamond 0.1493331E-03 Metallicity 0.5322878E+00 Ellipticity -0.8953348E-02 Gb(Abramov) 0.3830147E-02 Vb(Abramov) -0.2589813E-02 Hb(Abramov) 0.1240335E-02 Ex_ueg -0.6673686E-03 Ec_ueg -0.1560376E-03 Delta_ex -0.7083383E-03 Delta_ec 0.8842194E-04 Delta_et -0.7076191E-03 Pxc 0.4276972E+01 Qxc -0.8010888E+01 3,+3 85 3 -1 -1.998641 -0.853074 -2.986993 Rho 0.1356813E+00 |GRAD(Rho)| 0.2190989E-12 GRAD(Rho)x 0.1170867E-12 GRAD(Rho)y -0.1616253E-12 GRAD(Rho)z -0.9040059E-13 Laplacian 0.5305814E+00 (-1/4)Del**2(Rho)) -0.1326454E+00 Diamond 0.9580830E+00 Metallicity 0.4652945E+01 Ellipticity 0.2892900E-01 Gb(Abramov) 0.1912955E+00 Vb(Abramov) -0.2499456E+00 Hb(Abramov) -0.5865014E-01 Ex_ueg -0.5149264E-01 Ec_ueg -0.7533313E-02 Delta_ex -0.5565681E-01 Delta_ec 0.1389730E-01 Delta_et -0.1824824E+00 Pxc 0.6835325E+01 Qxc -0.4004864E+01 3,-1 86 3 +1 0.546382 -0.529752 -1.660672 Rho 0.8992224E-02 |GRAD(Rho)| 0.1620702E-16 GRAD(Rho)x -0.9715938E-17 GRAD(Rho)y 0.5979854E-19 GRAD(Rho)z 0.1297167E-16 Laplacian 0.3482554E-01 (-1/4)Del**2(Rho)) -0.8706385E-02 Diamond 0.9875962E-03 Metallicity 0.7694147E+00 Ellipticity -0.1469467E+01 Gb(Abramov) 0.6920727E-02 Vb(Abramov) -0.5135068E-02 Hb(Abramov) 0.1785658E-02 Ex_ueg -0.1381045E-02 Ec_ueg -0.3225633E-03 Delta_ex -0.1607877E-02 Delta_ec 0.4879273E-03 Delta_et -0.3375069E-02 Pxc 0.4281471E+01 Qxc -0.3295320E+01 3,+1 87 3 -1 -1.802893 -0.560653 2.775382 Rho 0.1381673E+00 |GRAD(Rho)| 0.2831137E-12 GRAD(Rho)x 0.2068975E-12 GRAD(Rho)y -0.1832105E-12 GRAD(Rho)z 0.6148748E-13 Laplacian 0.5820313E+00 (-1/4)Del**2(Rho)) -0.1455078E+00 Diamond 0.1067910E+01 Metallicity 0.4371955E+01 Ellipticity 0.8392499E-02 Gb(Abramov) 0.2030308E+00 Vb(Abramov) -0.2605538E+00 Hb(Abramov) -0.5752300E-01 Ex_ueg -0.5275442E-01 Ec_ueg -0.7690409E-02 Delta_ex -0.6125362E-01 Delta_ec 0.1505415E-01 Delta_et -0.1979811E+00 Pxc 0.6859767E+01 Qxc -0.4068885E+01 3,-1 88 3 +1 -1.255576 1.190333 2.167833 Rho 0.2872815E-01 |GRAD(Rho)| 0.7819399E-16 GRAD(Rho)x 0.8101136E-18 GRAD(Rho)y -0.3600486E-16 GRAD(Rho)z -0.6940673E-16 Laplacian 0.1173685E+00 (-1/4)Del**2(Rho)) -0.2934212E-01 Diamond 0.2012990E-01 Metallicity 0.1582126E+01 Ellipticity -0.8023277E+01 Gb(Abramov) 0.2729857E-01 Vb(Abramov) -0.2525502E-01 Hb(Abramov) 0.2043551E-02 Ex_ueg -0.6498233E-02 Ec_ueg -0.1278192E-02 Delta_ex -0.7716019E-02 Delta_ec 0.2239789E-02 Delta_et -0.2041539E-01 Pxc 0.5083925E+01 Qxc -0.3444976E+01 3,+1 89 3 +1 -1.674576 0.533106 -0.532272 Rho 0.8737577E-02 |GRAD(Rho)| 0.5318024E-16 GRAD(Rho)x -0.9390902E-17 GRAD(Rho)y -0.3292173E-16 GRAD(Rho)z 0.4069532E-16 Laplacian 0.3393011E-01 (-1/4)Del**2(Rho)) -0.8482527E-02 Diamond 0.9151646E-03 Metallicity 0.7528000E+00 Ellipticity -0.1441627E+01 Gb(Abramov) 0.6719293E-02 Vb(Abramov) -0.4956058E-02 Hb(Abramov) 0.1763235E-02 Ex_ueg -0.1329147E-02 Ec_ueg -0.3111399E-03 Delta_ex -0.1550699E-02 Delta_ec 0.4674449E-03 Delta_et -0.3216113E-02 Pxc 0.4271864E+01 Qxc -0.3317395E+01 3,+1 90 3 -1 -1.985323 -2.996994 -0.849093 Rho 0.1425265E+00 |GRAD(Rho)| 0.3480895E-15 GRAD(Rho)x -0.2891296E-15 GRAD(Rho)y -0.9757820E-18 GRAD(Rho)z 0.1938282E-15 Laplacian 0.5613219E+00 (-1/4)Del**2(Rho)) -0.1403305E+00 Diamond 0.1072512E+01 Metallicity 0.4774123E+01 Ellipticity 0.3720978E-01 Gb(Abramov) 0.2052128E+00 Vb(Abramov) -0.2700952E+00 Hb(Abramov) -0.6488234E-01 Ex_ueg -0.5498519E-01 Ec_ueg -0.7966829E-02 Delta_ex -0.5955970E-01 Delta_ec 0.1447450E-01 Delta_et -0.1913877E+00 Pxc 0.6901765E+01 Qxc -0.4114801E+01 3,-1 91 3 +3 -1.103605 1.129285 -1.129488 Rho 0.5082071E-02 |GRAD(Rho)| 0.1834701E-15 GRAD(Rho)x 0.2437567E-16 GRAD(Rho)y 0.1614827E-15 GRAD(Rho)z -0.8360872E-16 Laplacian 0.1927186E-01 (-1/4)Del**2(Rho)) -0.4817964E-02 Diamond 0.1352761E-03 Metallicity 0.5371442E+00 Ellipticity -0.1406229E+00 Gb(Abramov) 0.3643300E-02 Vb(Abramov) -0.2468635E-02 Hb(Abramov) 0.1174664E-02 Ex_ueg -0.6453165E-03 Ec_ueg -0.1504464E-03 Delta_ex -0.6667197E-03 Delta_ec 0.8109576E-04 Delta_et -0.6547532E-03 Pxc 0.4289345E+01 Qxc -0.8221389E+01 3,+3 92 3 +1 -2.166770 1.301561 1.146366 Rho 0.2884054E-01 |GRAD(Rho)| 0.3593536E-16 GRAD(Rho)x 0.3088202E-16 GRAD(Rho)y 0.5947305E-17 GRAD(Rho)z -0.1738622E-16 Laplacian 0.1177786E+00 (-1/4)Del**2(Rho)) -0.2944464E-01 Diamond 0.2011074E-01 Metallicity 0.1586911E+01 Ellipticity -0.7051024E+01 Gb(Abramov) 0.2741743E-01 Vb(Abramov) -0.2539022E-01 Hb(Abramov) 0.2027208E-02 Ex_ueg -0.6532152E-02 Ec_ueg -0.1283957E-02 Delta_ex -0.7733190E-02 Delta_ec 0.2215848E-02 Delta_et -0.2022029E-01 Pxc 0.5087514E+01 Qxc -0.3489946E+01 3,+1 93 3 -1 -1.986836 0.849336 2.994004 Rho 0.1407409E+00 |GRAD(Rho)| 0.3392511E-13 GRAD(Rho)x -0.9689040E-14 GRAD(Rho)y 0.3248247E-13 GRAD(Rho)z 0.1387311E-14 Laplacian 0.5540980E+00 (-1/4)Del**2(Rho)) -0.1385245E+00 Diamond 0.1042922E+01 Metallicity 0.4735803E+01 Ellipticity 0.3553601E-01 Gb(Abramov) 0.2016871E+00 Vb(Abramov) -0.2648497E+00 Hb(Abramov) -0.6316261E-01 Ex_ueg -0.5406862E-01 Ec_ueg -0.7853456E-02 Delta_ex -0.5861415E-01 Delta_ec 0.1433466E-01 Delta_et -0.1891866E+00 Pxc 0.6884692E+01 Qxc -0.4088980E+01 3,-1 94 3 -1 -1.728253 1.736101 0.520617 Rho 0.4581793E-01 |GRAD(Rho)| 0.1107127E-13 GRAD(Rho)x -0.8011338E-14 GRAD(Rho)y 0.7217517E-14 GRAD(Rho)z -0.2509768E-14 Laplacian 0.1868064E+00 (-1/4)Del**2(Rho)) -0.4670161E-01 Diamond 0.8325942E-01 Metallicity 0.2164115E+01 Ellipticity 0.1071706E-01 Gb(Abramov) 0.4797902E-01 Vb(Abramov) -0.4925642E-01 Hb(Abramov) -0.1277406E-02 Ex_ueg -0.1210874E-01 Ec_ueg -0.2185042E-02 Delta_ex -0.1500264E-01 Delta_ec 0.5497489E-02 Delta_et -0.5663863E-01 Pxc 0.5541650E+01 Qxc -0.2728999E+01 3,-1 95 3 -1 -1.728866 -1.725664 -0.538098 Rho 0.4569123E-01 |GRAD(Rho)| 0.3517744E-16 GRAD(Rho)x -0.1684494E-16 GRAD(Rho)y 0.2913751E-16 GRAD(Rho)z 0.1023258E-16 Laplacian 0.1867067E+00 (-1/4)Del**2(Rho)) -0.4667668E-01 Diamond 0.8273961E-01 Metallicity 0.2155301E+01 Ellipticity 0.1363514E-01 Gb(Abramov) 0.4788484E-01 Vb(Abramov) -0.4909299E-01 Hb(Abramov) -0.1208156E-02 Ex_ueg -0.1206412E-01 Ec_ueg -0.2178123E-02 Delta_ex -0.1497632E-01 Delta_ec 0.5480553E-02 Delta_et -0.5641990E-01 Pxc 0.5538768E+01 Qxc -0.2732629E+01 3,-1 96 3 -1 -1.996755 2.990835 0.853687 Rho 0.1380155E+00 |GRAD(Rho)| 0.6043670E-12 GRAD(Rho)x 0.3258824E-12 GRAD(Rho)y 0.2463233E-12 GRAD(Rho)z 0.4454042E-12 Laplacian 0.5398502E+00 (-1/4)Del**2(Rho)) -0.1349626E+00 Diamond 0.9948313E+00 Metallicity 0.4704927E+01 Ellipticity 0.3103301E-01 Gb(Abramov) 0.1958065E+00 Vb(Abramov) -0.2566505E+00 Hb(Abramov) -0.6084399E-01 Ex_ueg -0.5267714E-01 Ec_ueg -0.7680804E-02 Delta_ex -0.5686183E-01 Delta_ec 0.1407861E-01 Delta_et -0.1853486E+00 Pxc 0.6858284E+01 Qxc -0.4038880E+01 3,-1 97 3 +3 1.101704 1.111366 1.113290 Rho 0.5384193E-02 |GRAD(Rho)| 0.8744608E-16 GRAD(Rho)x 0.5372469E-16 GRAD(Rho)y 0.5190912E-16 GRAD(Rho)z -0.4545238E-16 Laplacian 0.2089966E-01 (-1/4)Del**2(Rho)) -0.5224914E-02 Diamond 0.1582670E-03 Metallicity 0.5453497E+00 Ellipticity -0.8974095E-01 Gb(Abramov) 0.3958177E-02 Vb(Abramov) -0.2691440E-02 Hb(Abramov) 0.1266737E-02 Ex_ueg -0.6969676E-03 Ec_ueg -0.1634835E-03 Delta_ex -0.7343473E-03 Delta_ec 0.8714972E-04 Delta_et -0.7127230E-03 Pxc 0.4263229E+01 Qxc -0.8426273E+01 3,+3 98 3 +1 -0.172066 0.170269 2.906006 Rho 0.5598621E-02 |GRAD(Rho)| 0.8336895E-17 GRAD(Rho)x 0.1074608E-17 GRAD(Rho)y -0.8261848E-17 GRAD(Rho)z -0.3015084E-18 Laplacian 0.2313091E-01 (-1/4)Del**2(Rho)) -0.5782726E-02 Diamond 0.5940279E-03 Metallicity 0.5258829E+00 Ellipticity -0.2624994E+01 Gb(Abramov) 0.4361990E-02 Vb(Abramov) -0.2941254E-02 Hb(Abramov) 0.1420736E-02 Ex_ueg -0.7342205E-03 Ec_ueg -0.1727642E-03 Delta_ex -0.1148493E-02 Delta_ec 0.6799228E-03 Delta_et -0.3839265E-02 Pxc 0.4249842E+01 Qxc -0.1689153E+01 3,+1 99 3 -1 -1.834895 0.570950 -2.804000 Rho 0.1634444E+00 |GRAD(Rho)| 0.1010046E-16 GRAD(Rho)x -0.3957338E-17 GRAD(Rho)y 0.3388132E-17 GRAD(Rho)z 0.8653289E-17 Laplacian 0.6812005E+00 (-1/4)Del**2(Rho)) -0.1703001E+00 Diamond 0.1519276E+01 Metallicity 0.4942593E+01 Ellipticity 0.6916129E-02 Gb(Abramov) 0.2538208E+00 Vb(Abramov) -0.3373414E+00 Hb(Abramov) -0.8352066E-01 Ex_ueg -0.6600017E-01 Ec_ueg -0.9309630E-02 Delta_ex -0.7462496E-01 Delta_ec 0.1673850E-01 Delta_et -0.2248940E+00 Pxc 0.7089451E+01 Qxc -0.4458283E+01 3,-1 100 3 -1 -1.728849 0.536044 1.724105 Rho 0.4572552E-01 |GRAD(Rho)| 0.2036425E-14 GRAD(Rho)x -0.2213149E-15 GRAD(Rho)y 0.1827087E-14 GRAD(Rho)z 0.8716647E-15 Laplacian 0.1867719E+00 (-1/4)Del**2(Rho)) -0.4669297E-01 Diamond 0.8286222E-01 Metallicity 0.2157245E+01 Ellipticity 0.1360903E-01 Gb(Abramov) 0.4791668E-01 Vb(Abramov) -0.4914038E-01 Hb(Abramov) -0.1223705E-02 Ex_ueg -0.1207619E-01 Ec_ueg -0.2179995E-02 Delta_ex -0.1498481E-01 Delta_ec 0.5483237E-02 Delta_et -0.5645887E-01 Pxc 0.5539549E+01 Qxc -0.2732841E+01 3,-1 101 3 -1 -0.850035 -2.991743 -1.979675 Rho 0.1390968E+00 |GRAD(Rho)| 0.1693242E-12 GRAD(Rho)x 0.1158156E-12 GRAD(Rho)y 0.6101401E-13 GRAD(Rho)z -0.1073998E-12 Laplacian 0.5475972E+00 (-1/4)Del**2(Rho)) -0.1368993E+00 Diamond 0.1016003E+01 Metallicity 0.4699089E+01 Ellipticity 0.3479903E-01 Gb(Abramov) 0.1984832E+00 Vb(Abramov) -0.2600671E+00 Hb(Abramov) -0.6158390E-01 Ex_ueg -0.5322812E-01 Ec_ueg -0.7749246E-02 Delta_ex -0.5775849E-01 Delta_ec 0.1420237E-01 Delta_et -0.1870975E+00 Pxc 0.6868812E+01 Qxc -0.4066820E+01 3,-1 102 3 +1 -0.174610 -2.907446 -0.166550 Rho 0.5591341E-02 |GRAD(Rho)| 0.9299853E-15 GRAD(Rho)x -0.6578890E-15 GRAD(Rho)y -0.7047344E-16 GRAD(Rho)z -0.6535200E-15 Laplacian 0.2310514E-01 (-1/4)Del**2(Rho)) -0.5776285E-02 Diamond 0.5901169E-03 Metallicity 0.5253287E+00 Ellipticity -0.2571575E+01 Gb(Abramov) 0.4356598E-02 Vb(Abramov) -0.2936911E-02 Hb(Abramov) 0.1419687E-02 Ex_ueg -0.7329477E-03 Ec_ueg -0.1724487E-03 Delta_ex -0.1145146E-02 Delta_ec 0.6760075E-03 Delta_et -0.3817029E-02 Pxc 0.4250236E+01 Qxc -0.1693983E+01 3,+1 103 3 +3 -0.007285 -2.303617 -0.002787 Rho 0.4807501E-02 |GRAD(Rho)| 0.6648905E-17 GRAD(Rho)x 0.2176607E-17 GRAD(Rho)y 0.6275372E-17 GRAD(Rho)z -0.3000452E-18 Laplacian 0.1961995E-01 (-1/4)Del**2(Rho)) -0.4904986E-02 Diamond 0.1785892E-03 Metallicity 0.4809660E+00 Ellipticity -0.2992071E+00 Gb(Abramov) 0.3663180E-02 Vb(Abramov) -0.2421373E-02 Hb(Abramov) 0.1241807E-02 Ex_ueg -0.5992539E-03 Ec_ueg -0.1386382E-03 Delta_ex -0.7182149E-03 Delta_ec 0.1715885E-03 Delta_et -0.1102099E-02 Pxc 0.4322430E+01 Qxc -0.4185682E+01 3,+3 104 3 +1 0.175870 -0.176119 2.903954 Rho 0.5595929E-02 |GRAD(Rho)| 0.3802868E-12 GRAD(Rho)x -0.3652412E-12 GRAD(Rho)y -0.6996869E-13 GRAD(Rho)z -0.7950658E-13 Laplacian 0.2313378E-01 (-1/4)Del**2(Rho)) -0.5783444E-02 Diamond 0.5910164E-03 Metallicity 0.5253963E+00 Ellipticity -0.2575546E+01 Gb(Abramov) 0.4362063E-02 Vb(Abramov) -0.2940681E-02 Hb(Abramov) 0.1421381E-02 Ex_ueg -0.7337498E-03 Ec_ueg -0.1726475E-03 Delta_ex -0.1146367E-02 Delta_ec 0.6761540E-03 Delta_et -0.3819083E-02 Pxc 0.4249987E+01 Qxc -0.1695422E+01 3,+1 105 3 +1 0.534533 0.534157 1.660245 Rho 0.8913690E-02 |GRAD(Rho)| 0.7711339E-15 GRAD(Rho)x 0.6732295E-15 GRAD(Rho)y -0.1979413E-15 GRAD(Rho)z 0.3197323E-15 Laplacian 0.3457146E-01 (-1/4)Del**2(Rho)) -0.8642865E-02 Diamond 0.9598290E-03 Metallicity 0.7638205E+00 Ellipticity -0.1453059E+01 Gb(Abramov) 0.6862176E-02 Vb(Abramov) -0.5081488E-02 Hb(Abramov) 0.1780689E-02 Ex_ueg -0.1364987E-02 Ec_ueg -0.3190372E-03 Delta_ex -0.1588765E-02 Delta_ec 0.4775387E-03 Delta_et -0.3301306E-02 Pxc 0.4278456E+01 Qxc -0.3326987E+01 3,+1 106 3 -1 -0.861053 2.983538 1.993717 Rho 0.1419486E+00 |GRAD(Rho)| 0.2024594E-15 GRAD(Rho)x -0.1767250E-15 GRAD(Rho)y 0.1677803E-16 GRAD(Rho)z 0.9734780E-16 Laplacian 0.5598988E+00 (-1/4)Del**2(Rho)) -0.1399747E+00 Diamond 0.1062449E+01 Metallicity 0.4753962E+01 Ellipticity 0.4199324E-01 Gb(Abramov) 0.2042222E+00 Vb(Abramov) -0.2684697E+00 Hb(Abramov) -0.6424749E-01 Ex_ueg -0.5468816E-01 Ec_ueg -0.7930119E-02 Delta_ex -0.5932695E-01 Delta_ec 0.1441124E-01 Delta_et -0.1903493E+00 Pxc 0.6896260E+01 Qxc -0.4116714E+01 3,-1 107 3 +3 0.002407 2.357830 -0.036092 Rho 0.4508082E-02 |GRAD(Rho)| 0.3330581E-14 GRAD(Rho)x -0.1545956E-14 GRAD(Rho)y -0.2482530E-14 GRAD(Rho)z 0.1593686E-14 Laplacian 0.1816580E-01 (-1/4)Del**2(Rho)) -0.4541450E-02 Diamond 0.1630995E-03 Metallicity 0.4666720E+00 Ellipticity -0.3083564E+00 Gb(Abramov) 0.3380861E-02 Vb(Abramov) -0.2220273E-02 Hb(Abramov) 0.1160589E-02 Ex_ueg -0.5500146E-03 Ec_ueg -0.1258054E-03 Delta_ex -0.6663947E-03 Delta_ec 0.1809087E-03 Delta_et -0.1112092E-02 Pxc 0.4371948E+01 Qxc -0.3683597E+01 3,+3 108 3 -1 0.476972 -0.465671 0.465425 Rho 0.1861978E+00 |GRAD(Rho)| 0.1555235E-11 GRAD(Rho)x -0.8799697E-12 GRAD(Rho)y 0.9187616E-12 GRAD(Rho)z -0.8945865E-12 Laplacian 0.5134090E+00 (-1/4)Del**2(Rho)) -0.1283522E+00 Diamond 0.1377654E+01 Metallicity 0.8149056E+01 Ellipticity 0.8138121E-03 Gb(Abramov) 0.2598931E+00 Vb(Abramov) -0.3914340E+00 Hb(Abramov) -0.1315409E+00 Ex_ueg -0.7852678E-01 Ec_ueg -0.1079972E-01 Delta_ex -0.5840328E-01 Delta_ec 0.1270638E-01 Delta_et -0.1747665E+00 Pxc 0.7271187E+01 Qxc -0.4596374E+01 3,-1 109 3 +1 0.544526 1.661321 0.528606 Rho 0.9001571E-02 |GRAD(Rho)| 0.1298562E-15 GRAD(Rho)x -0.8949908E-16 GRAD(Rho)y -0.8583839E-16 GRAD(Rho)z -0.3852679E-16 Laplacian 0.3486771E-01 (-1/4)Del**2(Rho)) -0.8716928E-02 Diamond 0.9894162E-03 Metallicity 0.7698160E+00 Ellipticity -0.1468780E+01 Gb(Abramov) 0.6929690E-02 Vb(Abramov) -0.5142453E-02 Hb(Abramov) 0.1787238E-02 Ex_ueg -0.1382960E-02 Ec_ueg -0.3229831E-03 Delta_ex -0.1609919E-02 Delta_ec 0.4879292E-03 Delta_et -0.3376454E-02 Pxc 0.4281832E+01 Qxc -0.3299494E+01 3,+1 110 3 -1 -0.531444 1.727337 1.721743 Rho 0.4761452E-01 |GRAD(Rho)| 0.1445729E-15 GRAD(Rho)x -0.4000706E-16 GRAD(Rho)y -0.1085960E-15 GRAD(Rho)z 0.8664681E-16 Laplacian 0.1948232E+00 (-1/4)Del**2(Rho)) -0.4870580E-01 Diamond 0.9159343E-01 Metallicity 0.2212440E+01 Ellipticity 0.1087415E-01 Gb(Abramov) 0.5043032E-01 Vb(Abramov) -0.5215483E-01 Hb(Abramov) -0.1724512E-02 Ex_ueg -0.1274591E-01 Ec_ueg -0.2283444E-02 Delta_ex -0.1580293E-01 Delta_ec 0.5739904E-02 Delta_et -0.5973920E-01 Pxc 0.5581882E+01 Qxc -0.2753170E+01 3,-1 111 3 -1 -0.589353 1.825665 -2.822394 Rho 0.1122670E+00 |GRAD(Rho)| 0.6217405E-14 GRAD(Rho)x 0.6043411E-14 GRAD(Rho)y -0.2805373E-16 GRAD(Rho)z -0.1460319E-14 Laplacian 0.4896993E+00 (-1/4)Del**2(Rho)) -0.1224248E+00 Diamond 0.7277765E+00 Metallicity 0.3676525E+01 Ellipticity 0.2890216E-01 Gb(Abramov) 0.1566329E+00 Vb(Abramov) -0.1908409E+00 Hb(Abramov) -0.3420804E-01 Ex_ueg -0.3999952E-01 Ec_ueg -0.6073957E-02 Delta_ex -0.4944052E-01 Delta_ec 0.1402725E-01 Delta_et -0.1792132E+00 Pxc 0.6585414E+01 Qxc -0.3524606E+01 3,-1 112 3 -1 -0.851236 1.980357 2.992118 Rho 0.1407499E+00 |GRAD(Rho)| 0.9046780E-15 GRAD(Rho)x -0.8472633E-15 GRAD(Rho)y -0.2390530E-15 GRAD(Rho)z 0.2084243E-15 Laplacian 0.5544138E+00 (-1/4)Del**2(Rho)) -0.1386034E+00 Diamond 0.1043122E+01 Metallicity 0.4733609E+01 Ellipticity 0.3674935E-01 Gb(Abramov) 0.2017514E+00 Vb(Abramov) -0.2648993E+00 Hb(Abramov) -0.6314794E-01 Ex_ueg -0.5407323E-01 Ec_ueg -0.7854026E-02 Delta_ex -0.5864332E-01 Delta_ec 0.1433342E-01 Delta_et -0.1891527E+00 Pxc 0.6884778E+01 Qxc -0.4091371E+01 3,-1 113 3 -1 -0.863255 -1.994162 -2.984032 Rho 0.1442266E+00 |GRAD(Rho)| 0.4171871E-13 GRAD(Rho)x 0.1537792E-14 GRAD(Rho)y 0.3762794E-13 GRAD(Rho)z -0.1795059E-13 Laplacian 0.5689610E+00 (-1/4)Del**2(Rho)) -0.1422403E+00 Diamond 0.1100326E+01 Metallicity 0.4804036E+01 Ellipticity 0.4427730E-01 Gb(Abramov) 0.2087147E+00 Vb(Abramov) -0.2751892E+00 Hb(Abramov) -0.6647447E-01 Ex_ueg -0.5586145E-01 Ec_ueg -0.8074963E-02 Delta_ex -0.6052033E-01 Delta_ec 0.1458440E-01 Delta_et -0.1930819E+00 Pxc 0.6917858E+01 Qxc -0.4149661E+01 3,-1 114 3 -1 -0.532057 -1.720187 -1.729238 Rho 0.4767382E-01 |GRAD(Rho)| 0.1761714E-12 GRAD(Rho)x 0.7561520E-13 GRAD(Rho)y 0.1590618E-12 GRAD(Rho)z -0.4247277E-14 Laplacian 0.1951428E+00 (-1/4)Del**2(Rho)) -0.4878571E-01 Diamond 0.9190164E-01 Metallicity 0.2213403E+01 Ellipticity 0.1125178E-01 Gb(Abramov) 0.5052088E-01 Vb(Abramov) -0.5225604E-01 Hb(Abramov) -0.1735166E-02 Ex_ueg -0.1276708E-01 Ec_ueg -0.2286700E-02 Delta_ex -0.1583393E-01 Delta_ec 0.5749478E-02 Delta_et -0.5985842E-01 Pxc 0.5583190E+01 Qxc -0.2753977E+01 3,-1 115 3 -1 -0.559232 -1.802197 2.775137 Rho 0.1419784E+00 |GRAD(Rho)| 0.3265550E-13 GRAD(Rho)x 0.2082373E-14 GRAD(Rho)y -0.2775677E-13 GRAD(Rho)z 0.1707650E-13 Laplacian 0.5966569E+00 (-1/4)Del**2(Rho)) -0.1491642E+00 Diamond 0.1130918E+01 Metallicity 0.4462644E+01 Ellipticity 0.8871408E-02 Gb(Abramov) 0.2103873E+00 Vb(Abramov) -0.2716104E+00 Hb(Abramov) -0.6122306E-01 Ex_ueg -0.5470345E-01 Ec_ueg -0.7932009E-02 Delta_ex -0.6320828E-01 Delta_ec 0.1532657E-01 Delta_et -0.2023818E+00 Pxc 0.6896544E+01 Qxc -0.4124099E+01 3,-1 116 3 +1 0.532209 -1.661079 -0.534066 Rho 0.8928049E-02 |GRAD(Rho)| 0.1759033E-14 GRAD(Rho)x -0.1169522E-14 GRAD(Rho)y 0.1223529E-14 GRAD(Rho)z 0.4789500E-15 Laplacian 0.3463286E-01 (-1/4)Del**2(Rho)) -0.8658215E-02 Diamond 0.9626478E-03 Metallicity 0.7645146E+00 Ellipticity -0.1452359E+01 Gb(Abramov) 0.6875366E-02 Vb(Abramov) -0.5092516E-02 Hb(Abramov) 0.1782850E-02 Ex_ueg -0.1367919E-02 Ec_ueg -0.3196817E-03 Delta_ex -0.1591812E-02 Delta_ec 0.4776222E-03 Delta_et -0.3303865E-02 Pxc 0.4279004E+01 Qxc -0.3332784E+01 3,+1 117 3 +1 0.157199 0.177287 -2.904907 Rho 0.5011892E-02 |GRAD(Rho)| 0.4174702E-14 GRAD(Rho)x 0.3058681E-14 GRAD(Rho)y 0.2822878E-14 GRAD(Rho)z -0.3224467E-15 Laplacian 0.2011728E-01 (-1/4)Del**2(Rho)) -0.5029320E-02 Diamond 0.4337612E-03 Metallicity 0.5027824E+00 Ellipticity -0.2325919E+01 Gb(Abramov) 0.3774322E-02 Vb(Abramov) -0.2519325E-02 Hb(Abramov) 0.1254998E-02 Ex_ueg -0.6334622E-03 Ec_ueg -0.1474246E-03 Delta_ex -0.9665363E-03 Delta_ec 0.5725359E-03 Delta_et -0.3136202E-02 Pxc 0.4296855E+01 Qxc -0.1688167E+01 3,+1 118 3 +3 -0.002807 0.003570 2.303081 Rho 0.4808970E-02 |GRAD(Rho)| 0.1083429E-17 GRAD(Rho)x -0.8555798E-18 GRAD(Rho)y -0.3954352E-18 GRAD(Rho)z -0.5342580E-18 Laplacian 0.1962516E-01 (-1/4)Del**2(Rho)) -0.4906291E-02 Diamond 0.1786011E-03 Metallicity 0.4810830E+00 Ellipticity -0.2988271E+00 Gb(Abramov) 0.3664249E-02 Vb(Abramov) -0.2422208E-02 Hb(Abramov) 0.1242041E-02 Ex_ueg -0.5994981E-03 Ec_ueg -0.1387013E-03 Delta_ex -0.7183553E-03 Delta_ec 0.1714425E-03 Delta_et -0.1101521E-02 Pxc 0.4322225E+01 Qxc -0.4190066E+01 3,+3 119 3 -1 1.734745 0.549177 -1.741008 Rho 0.4712425E-01 |GRAD(Rho)| 0.6431249E-16 GRAD(Rho)x 0.4167233E-16 GRAD(Rho)y -0.1182924E-16 GRAD(Rho)z -0.4753507E-16 Laplacian 0.1934795E+00 (-1/4)Del**2(Rho)) -0.4836986E-01 Diamond 0.8963692E-01 Metallicity 0.2189706E+01 Ellipticity 0.1586553E-01 Gb(Abramov) 0.4989920E-01 Vb(Abramov) -0.5142854E-01 Hb(Abramov) -0.1529340E-02 Ex_ueg -0.1257123E-01 Ec_ueg -0.2256541E-02 Delta_ex -0.1565065E-01 Delta_ec 0.5696288E-02 Delta_et -0.5912335E-01 Pxc 0.5571018E+01 Qxc -0.2747518E+01 3,-1 120 3 -1 -0.462790 -0.462046 -0.478256 Rho 0.1867682E+00 |GRAD(Rho)| 0.2152063E-12 GRAD(Rho)x 0.1251742E-12 GRAD(Rho)y 0.1250666E-12 GRAD(Rho)z 0.1224888E-12 Laplacian 0.5156381E+00 (-1/4)Del**2(Rho)) -0.1289095E+00 Diamond 0.1389169E+01 Metallicity 0.8155299E+01 Ellipticity 0.4892339E-03 Gb(Abramov) 0.2611556E+00 Vb(Abramov) -0.3934018E+00 Hb(Abramov) -0.1322461E+00 Ex_ueg -0.7884772E-01 Ec_ueg -0.1083746E-01 Delta_ex -0.5870525E-01 Delta_ec 0.1275715E-01 Delta_et -0.1755403E+00 Pxc 0.7275480E+01 Qxc -0.4601752E+01 3,-1 121 3 -1 0.061368 -3.197834 -3.199181 Rho 0.2507240E+00 |GRAD(Rho)| 0.4632295E-10 GRAD(Rho)x 0.8483206E-11 GRAD(Rho)y -0.3229482E-10 GRAD(Rho)z -0.3210756E-10 Laplacian 0.9131654E+00 (-1/4)Del**2(Rho)) -0.2282913E+00 Diamond 0.3391445E+01 Metallicity 0.7522983E+01 Ellipticity 0.1304733E-02 Gb(Abramov) 0.4384329E+00 Vb(Abramov) -0.6485744E+00 Hb(Abramov) -0.2101415E+00 Ex_ueg -0.1167650E+00 Ec_ueg -0.1518358E-01 Delta_ex -0.1115354E+00 Delta_ec 0.1979645E-01 Delta_et -0.2740214E+00 Pxc 0.7690219E+01 Qxc -0.5634110E+01 3,-1 122 3 -1 0.557242 -2.778237 -1.797875 Rho 0.1389396E+00 |GRAD(Rho)| 0.2607691E-15 GRAD(Rho)x 0.6972775E-16 GRAD(Rho)y -0.2469270E-16 GRAD(Rho)z 0.2500577E-15 Laplacian 0.5831784E+00 (-1/4)Del**2(Rho)) -0.1457946E+00 Diamond 0.1076787E+01 Metallicity 0.4404081E+01 Ellipticity 0.7208320E-02 Gb(Abramov) 0.2042116E+00 Vb(Abramov) -0.2626286E+00 Hb(Abramov) -0.5841701E-01 Ex_ueg -0.5314796E-01 Ec_ueg -0.7739296E-02 Delta_ex -0.6145302E-01 Delta_ec 0.1505519E-01 Delta_et -0.1981458E+00 Pxc 0.6867287E+01 Qxc -0.4081850E+01 3,-1 123 3 -1 0.002826 -2.908590 0.010383 Rho 0.5638804E-02 |GRAD(Rho)| 0.1732998E-16 GRAD(Rho)x -0.1430942E-16 GRAD(Rho)y 0.3413826E-17 GRAD(Rho)z 0.9160486E-17 Laplacian 0.2258564E-01 (-1/4)Del**2(Rho)) -0.5646411E-02 Diamond 0.7102731E-03 Metallicity 0.5450367E+00 Ellipticity 0.2658448E+01 Gb(Abramov) 0.4277191E-02 Vb(Abramov) -0.2907971E-02 Hb(Abramov) 0.1369220E-02 Ex_ueg -0.7412552E-03 Ec_ueg -0.1745059E-03 Delta_ex -0.1221624E-02 Delta_ec 0.8399210E-03 Delta_et -0.4677726E-02 Pxc 0.4247737E+01 Qxc -0.1454451E+01 3,-1 124 3 +1 0.172243 -2.902656 0.178970 Rho 0.5597153E-02 |GRAD(Rho)| 0.8719700E-16 GRAD(Rho)x 0.8614386E-16 GRAD(Rho)y 0.1348387E-16 GRAD(Rho)z -0.8582424E-18 Laplacian 0.2312599E-01 (-1/4)Del**2(Rho)) -0.5781497E-02 Diamond 0.5940478E-03 Metallicity 0.5257647E+00 Ellipticity -0.2648245E+01 Gb(Abramov) 0.4360950E-02 Vb(Abramov) -0.2940402E-02 Hb(Abramov) 0.1420548E-02 Ex_ueg -0.7339638E-03 Ec_ueg -0.1727006E-03 Delta_ex -0.1148473E-02 Delta_ec 0.6802858E-03 Delta_et -0.3840798E-02 Pxc 0.4249921E+01 Qxc -0.1688221E+01 3,+1 125 3 -1 -0.065131 -3.201644 3.202439 Rho 0.2503476E+00 |GRAD(Rho)| 0.7861160E-15 GRAD(Rho)x 0.3565399E-15 GRAD(Rho)y 0.6754580E-15 GRAD(Rho)z -0.1860491E-15 Laplacian 0.9106442E+00 (-1/4)Del**2(Rho)) -0.2276611E+00 Diamond 0.3376792E+01 Metallicity 0.7524948E+01 Ellipticity 0.1181195E-02 Gb(Abramov) 0.4372970E+00 Vb(Abramov) -0.6469329E+00 Hb(Abramov) -0.2096359E+00 Ex_ueg -0.1165314E+00 Ec_ueg -0.1515734E-01 Delta_ex -0.1111877E+00 Delta_ec 0.1975819E-01 Delta_et -0.2735185E+00 Pxc 0.7688115E+01 Qxc -0.5627421E+01 3,-1 126 3 -1 0.567116 -1.807222 -2.770201 Rho 0.1441118E+00 |GRAD(Rho)| 0.1530254E-11 GRAD(Rho)x -0.1230783E-11 GRAD(Rho)y -0.2952880E-12 GRAD(Rho)z 0.8600332E-12 Laplacian 0.6089231E+00 (-1/4)Del**2(Rho)) -0.1522308E+00 Diamond 0.1171896E+01 Metallicity 0.4482806E+01 Ellipticity 0.1116053E-01 Gb(Abramov) 0.2152240E+00 Vb(Abramov) -0.2782173E+00 Hb(Abramov) -0.6299325E-01 Ex_ueg -0.5580217E-01 Ec_ueg -0.8067656E-02 Delta_ex -0.6471028E-01 Delta_ec 0.1552575E-01 Delta_et -0.2053333E+00 Pxc 0.6916776E+01 Qxc -0.4167933E+01 3,-1 127 3 -1 0.533298 -1.727667 1.727185 Rho 0.4710623E-01 |GRAD(Rho)| 0.6164435E-14 GRAD(Rho)x -0.2058039E-14 GRAD(Rho)y -0.4079010E-14 GRAD(Rho)z 0.4138407E-14 Laplacian 0.1933789E+00 (-1/4)Del**2(Rho)) -0.4834473E-01 Diamond 0.8960296E-01 Metallicity 0.2189448E+01 Ellipticity 0.1136089E-01 Gb(Abramov) 0.4987120E-01 Vb(Abramov) -0.5139767E-01 Hb(Abramov) -0.1526470E-02 Ex_ueg -0.1256482E-01 Ec_ueg -0.2255553E-02 Delta_ex -0.1564378E-01 Delta_ec 0.5698275E-02 Delta_et -0.5913922E-01 Pxc 0.5570617E+01 Qxc -0.2745354E+01 3,-1 128 3 -1 0.534965 1.752943 -1.752731 Rho 0.4104631E-01 |GRAD(Rho)| 0.8712382E-16 GRAD(Rho)x -0.2825511E-16 GRAD(Rho)y 0.3513662E-16 GRAD(Rho)z -0.7454949E-16 Laplacian 0.1768472E+00 (-1/4)Del**2(Rho)) -0.4421180E-01 Diamond 0.7320850E-01 Metallicity 0.1903145E+01 Ellipticity 0.1313421E-01 Gb(Abramov) 0.4349811E-01 Vb(Abramov) -0.4278441E-01 Hb(Abramov) 0.7136916E-03 Ex_ueg -0.1045724E-01 Ec_ueg -0.1926279E-02 Delta_ex -0.1411707E-01 Delta_ec 0.5742632E-02 Delta_et -0.5753154E-01 Pxc 0.5428727E+01 Qxc -0.2458292E+01 3,-1 129 3 +1 1.042903 1.439422 -2.192548 Rho 0.2625462E-01 |GRAD(Rho)| 0.1584055E-12 GRAD(Rho)x -0.1183601E-12 GRAD(Rho)y 0.9856627E-13 GRAD(Rho)z 0.3698463E-13 Laplacian 0.1017904E+00 (-1/4)Del**2(Rho)) -0.2544760E-01 Diamond 0.1246078E-01 Metallicity 0.1570059E+01 Ellipticity -0.2418230E+01 Gb(Abramov) 0.2362410E-01 Vb(Abramov) -0.2180061E-01 Hb(Abramov) 0.1823493E-02 Ex_ueg -0.5763144E-02 Ec_ueg -0.1152088E-02 Delta_ex -0.6233103E-02 Delta_ec 0.1403820E-02 Delta_et -0.1260403E-01 Pxc 0.5002348E+01 Qxc -0.4440103E+01 3,+1 130 3 +1 1.044175 2.191300 -1.439845 Rho 0.2630055E-01 |GRAD(Rho)| 0.9043061E-15 GRAD(Rho)x -0.3862832E-15 GRAD(Rho)y 0.5150452E-15 GRAD(Rho)z -0.6350458E-15 Laplacian 0.1020064E+00 (-1/4)Del**2(Rho)) -0.2550160E-01 Diamond 0.1255263E-01 Metallicity 0.1571305E+01 Ellipticity -0.2437002E+01 Gb(Abramov) 0.2367953E-01 Vb(Abramov) -0.2185746E-01 Hb(Abramov) 0.1822070E-02 Ex_ueg -0.5776588E-02 Ec_ueg -0.1154415E-02 Delta_ex -0.6252911E-02 Delta_ec 0.1413174E-02 Delta_et -0.1269141E-01 Pxc 0.5003909E+01 Qxc -0.4424729E+01 3,+1 131 3 -1 0.559590 1.798153 2.778587 Rho 0.1412463E+00 |GRAD(Rho)| 0.4794208E-12 GRAD(Rho)x -0.3084350E-12 GRAD(Rho)y 0.3602780E-12 GRAD(Rho)z -0.7008489E-13 Laplacian 0.5935424E+00 (-1/4)Del**2(Rho)) -0.1483856E+00 Diamond 0.1117273E+01 Metallicity 0.4447577E+01 Ellipticity 0.7492781E-02 Gb(Abramov) 0.2089165E+00 Vb(Abramov) -0.2694473E+00 Hb(Abramov) -0.6053086E-01 Ex_ueg -0.5432770E-01 Ec_ueg -0.7885530E-02 Delta_ex -0.6279069E-01 Delta_ec 0.1525088E-01 Delta_et -0.2011962E+00 Pxc 0.6889543E+01 Qxc -0.4117186E+01 3,-1 132 3 +1 0.152935 2.903580 -0.180442 Rho 0.5009365E-02 |GRAD(Rho)| 0.5520953E-16 GRAD(Rho)x -0.5457227E-16 GRAD(Rho)y 0.4307990E-17 GRAD(Rho)z 0.7169409E-17 Laplacian 0.2008876E-01 (-1/4)Del**2(Rho)) -0.5022189E-02 Diamond 0.4345505E-03 Metallicity 0.5030732E+00 Ellipticity -0.2369333E+01 Gb(Abramov) 0.3769214E-02 Vb(Abramov) -0.2516239E-02 Hb(Abramov) 0.1252975E-02 Ex_ueg -0.6330363E-03 Ec_ueg -0.1473158E-03 Delta_ex -0.9666416E-03 Delta_ec 0.5745324E-03 Delta_et -0.3145411E-02 Pxc 0.4297137E+01 Qxc -0.1682484E+01 3,+1 133 3 -1 0.565697 2.769840 1.806639 Rho 0.1425153E+00 |GRAD(Rho)| 0.2018504E-15 GRAD(Rho)x -0.1129603E-15 GRAD(Rho)y -0.1185711E-15 GRAD(Rho)z 0.1180019E-15 Laplacian 0.6017829E+00 (-1/4)Del**2(Rho)) -0.1504457E+00 Diamond 0.1143290E+01 Metallicity 0.4452552E+01 Ellipticity 0.1011909E-01 Gb(Abramov) 0.2119417E+00 Vb(Abramov) -0.2734377E+00 Hb(Abramov) -0.6149598E-01 Ex_ueg -0.5497943E-01 Ec_ueg -0.7966118E-02 Delta_ex -0.6378314E-01 Delta_ec 0.1539586E-01 Delta_et -0.2033071E+00 Pxc 0.6901659E+01 Qxc -0.4142877E+01 3,-1 134 3 -1 -0.051744 3.262309 -3.262450 Rho 0.2287650E+00 |GRAD(Rho)| 0.5120309E-15 GRAD(Rho)x -0.6142005E-16 GRAD(Rho)y 0.2908914E-15 GRAD(Rho)z -0.4168757E-15 Laplacian 0.8422929E+00 (-1/4)Del**2(Rho)) -0.2105732E+00 Diamond 0.2798822E+01 Metallicity 0.7000557E+01 Ellipticity 0.1687599E-02 Gb(Abramov) 0.3860705E+00 Vb(Abramov) -0.5615677E+00 Hb(Abramov) -0.1754972E+00 Ex_ueg -0.1033327E+00 Ec_ueg -0.1366593E-01 Delta_ex -0.1004287E+00 Delta_ec 0.1873741E-01 Delta_et -0.2584916E+00 Pxc 0.7561339E+01 Qxc -0.5359796E+01 3,-1 135 3 -1 0.062503 3.196917 3.199866 Rho 0.2507182E+00 |GRAD(Rho)| 0.9476437E-14 GRAD(Rho)x -0.1892610E-14 GRAD(Rho)y -0.6992128E-14 GRAD(Rho)z -0.6109913E-14 Laplacian 0.9130485E+00 (-1/4)Del**2(Rho)) -0.2282621E+00 Diamond 0.3391018E+01 Metallicity 0.7523660E+01 Ellipticity 0.1279479E-02 Gb(Abramov) 0.4384025E+00 Vb(Abramov) -0.6485429E+00 Hb(Abramov) -0.2101404E+00 Ex_ueg -0.1167615E+00 Ec_ueg -0.1518318E-01 Delta_ex -0.1115209E+00 Delta_ec 0.1979495E-01 Delta_et -0.2740049E+00 Pxc 0.7690187E+01 Qxc -0.5633805E+01 3,-1 136 3 -1 -0.591270 2.821276 -1.828319 Rho 0.1132583E+00 |GRAD(Rho)| 0.3524512E-15 GRAD(Rho)x -0.2524023E-15 GRAD(Rho)y 0.6228403E-16 GRAD(Rho)z 0.2379824E-15 Laplacian 0.4941338E+00 (-1/4)Del**2(Rho)) -0.1235335E+00 Diamond 0.7420256E+00 Metallicity 0.3697303E+01 Ellipticity 0.2810395E-01 Gb(Abramov) 0.1584791E+00 Vb(Abramov) -0.1934247E+00 Hb(Abramov) -0.3494561E-01 Ex_ueg -0.4047109E-01 Ec_ueg -0.6134962E-02 Delta_ex -0.4998857E-01 Delta_ec 0.1412249E-01 Delta_et -0.1807292E+00 Pxc 0.6596795E+01 Qxc -0.3539642E+01 3,-1 137 3 +1 1.652752 0.536793 0.525859 Rho 0.9204583E-02 |GRAD(Rho)| 0.1182300E-16 GRAD(Rho)x -0.8972435E-17 GRAD(Rho)y -0.6786590E-17 GRAD(Rho)z 0.3636061E-17 Laplacian 0.3567083E-01 (-1/4)Del**2(Rho)) -0.8917707E-02 Diamond 0.1047825E-02 Metallicity 0.7809804E+00 Ellipticity -0.1483281E+01 Gb(Abramov) 0.7105897E-02 Vb(Abramov) -0.5294087E-02 Hb(Abramov) 0.1811810E-02 Ex_ueg -0.1424701E-02 Ec_ueg -0.3321113E-03 Delta_ex -0.1658174E-02 Delta_ec 0.5023658E-03 Delta_et -0.3493685E-02 Pxc 0.4289831E+01 Qxc -0.3300731E+01 3,+1 138 3 +3 0.006452 0.034050 -2.357876 Rho 0.4511161E-02 |GRAD(Rho)| 0.7613218E-17 GRAD(Rho)x -0.5111644E-17 GRAD(Rho)y 0.5297384E-17 GRAD(Rho)z 0.1941621E-17 Laplacian 0.1818471E-01 (-1/4)Del**2(Rho)) -0.4546177E-02 Diamond 0.1634171E-03 Metallicity 0.4667174E+00 Ellipticity -0.3162458E+00 Gb(Abramov) 0.3384415E-02 Vb(Abramov) -0.2222652E-02 Hb(Abramov) 0.1161762E-02 Ex_ueg -0.5505154E-03 Ec_ueg -0.1259371E-03 Delta_ex -0.6671996E-03 Delta_ec 0.1810906E-03 Delta_et -0.1113405E-02 Pxc 0.4371352E+01 Qxc -0.3684341E+01 3,+3 139 3 +1 1.653465 -0.525825 -0.537811 Rho 0.9190612E-02 |GRAD(Rho)| 0.8012614E-17 GRAD(Rho)x 0.7761495E-17 GRAD(Rho)y -0.1500039E-17 GRAD(Rho)z 0.1308077E-17 Laplacian 0.3561005E-01 (-1/4)Del**2(Rho)) -0.8902513E-02 Diamond 0.1043717E-02 Metallicity 0.7803353E+00 Ellipticity -0.1482640E+01 Gb(Abramov) 0.7092833E-02 Vb(Abramov) -0.5283153E-02 Hb(Abramov) 0.1809680E-02 Ex_ueg -0.1421819E-02 Ec_ueg -0.3314825E-03 Delta_ex -0.1654644E-02 Delta_ec 0.5013938E-03 Delta_et -0.3485662E-02 Pxc 0.4289272E+01 Qxc -0.3300089E+01 3,+1 140 3 -1 -0.000109 -0.000905 2.908598 Rho 0.5642317E-02 |GRAD(Rho)| 0.4292253E-16 GRAD(Rho)x -0.1634988E-16 GRAD(Rho)y 0.7142615E-17 GRAD(Rho)z -0.3903855E-16 Laplacian 0.2259919E-01 (-1/4)Del**2(Rho)) -0.5649797E-02 Diamond 0.7115479E-03 Metallicity 0.5452757E+00 Ellipticity 0.2638630E+01 Gb(Abramov) 0.4279981E-02 Vb(Abramov) -0.2910165E-02 Hb(Abramov) 0.1369816E-02 Ex_ueg -0.7418710E-03 Ec_ueg -0.1746582E-03 Delta_ex -0.1222698E-02 Delta_ec 0.8407828E-03 Delta_et -0.4683293E-02 Pxc 0.4247559E+01 Qxc -0.1454238E+01 3,-1 141 3 -1 2.023003 3.024202 -0.854720 Rho 0.1619114E+00 |GRAD(Rho)| 0.3537395E-15 GRAD(Rho)x -0.2295934E-15 GRAD(Rho)y 0.1948989E-15 GRAD(Rho)z -0.1855612E-15 Laplacian 0.6349280E+00 (-1/4)Del**2(Rho)) -0.1587320E+00 Diamond 0.1406607E+01 Metallicity 0.5220167E+01 Ellipticity 0.3515167E-01 Gb(Abramov) 0.2439226E+00 Vb(Abramov) -0.3291132E+00 Hb(Abramov) -0.8519060E-01 Ex_ueg -0.6517609E-01 Ec_ueg -0.9210325E-02 Delta_ex -0.6945105E-01 Delta_ec 0.1574304E-01 Delta_et -0.2115469E+00 Pxc 0.7076416E+01 Qxc -0.4411540E+01 3,-1 142 3 -1 0.482000 0.480786 -0.481122 Rho 0.1885959E+00 |GRAD(Rho)| 0.8696070E-15 GRAD(Rho)x -0.6175616E-15 GRAD(Rho)y -0.5828671E-15 GRAD(Rho)z 0.1873501E-15 Laplacian 0.5245109E+00 (-1/4)Del**2(Rho)) -0.1311277E+00 Diamond 0.1424809E+01 Metallicity 0.8148525E+01 Ellipticity 0.4201978E-02 Gb(Abramov) 0.2655014E+00 Vb(Abramov) -0.3998751E+00 Hb(Abramov) -0.1343737E+00 Ex_ueg -0.7987815E-01 Ec_ueg -0.1095850E-01 Delta_ex -0.5982600E-01 Delta_ec 0.1287940E-01 Delta_et -0.1772086E+00 Pxc 0.7289151E+01 Qxc -0.4645091E+01 3,-1 143 3 -1 0.854096 -2.990395 1.990075 Rho 0.1428007E+00 |GRAD(Rho)| 0.6409201E-14 GRAD(Rho)x -0.5016278E-14 GRAD(Rho)y 0.1978411E-14 GRAD(Rho)z 0.3464202E-14 Laplacian 0.5618919E+00 (-1/4)Del**2(Rho)) -0.1404730E+00 Diamond 0.1075676E+01 Metallicity 0.4784587E+01 Ellipticity 0.3760587E-01 Gb(Abramov) 0.2056662E+00 Vb(Abramov) -0.2708594E+00 Hb(Abramov) -0.6519321E-01 Ex_ueg -0.5512632E-01 Ec_ueg -0.7984262E-02 Delta_ex -0.5964381E-01 Delta_ec 0.1447464E-01 Delta_et -0.1914275E+00 Pxc 0.6904372E+01 Qxc -0.4120573E+01 3,-1 144 3 +1 1.240759 -2.170108 1.212203 Rho 0.2915426E-01 |GRAD(Rho)| 0.1506305E-13 GRAD(Rho)x 0.3536333E-14 GRAD(Rho)y -0.1402728E-13 GRAD(Rho)z 0.4198246E-14 Laplacian 0.1199269E+00 (-1/4)Del**2(Rho)) -0.2998171E-01 Diamond 0.2118203E-01 Metallicity 0.1586841E+01 Ellipticity -0.9400601E+01 Gb(Abramov) 0.2791718E-01 Vb(Abramov) -0.2585264E-01 Hb(Abramov) 0.2064536E-02 Ex_ueg -0.6627062E-02 Ec_ueg -0.1300066E-02 Delta_ex -0.7932057E-02 Delta_ec 0.2319064E-02 Delta_et -0.2121245E-01 Pxc 0.5097482E+01 Qxc -0.3420370E+01 3,+1 145 3 -1 0.853035 -1.987365 2.991057 Rho 0.1415123E+00 |GRAD(Rho)| 0.3708324E-13 GRAD(Rho)x 0.3583756E-13 GRAD(Rho)y -0.9258422E-14 GRAD(Rho)z 0.2262174E-14 Laplacian 0.5566909E+00 (-1/4)Del**2(Rho)) -0.1391727E+00 Diamond 0.1054315E+01 Metallicity 0.4756885E+01 Ellipticity 0.3622450E-01 Gb(Abramov) 0.2031199E+00 Vb(Abramov) -0.2670671E+00 Hb(Abramov) -0.6394720E-01 Ex_ueg -0.5446414E-01 Ec_ueg -0.7902412E-02 Delta_ex -0.5896271E-01 Delta_ec 0.1437506E-01 Delta_et -0.1898598E+00 Pxc 0.6892090E+01 Qxc -0.4101736E+01 3,-1 146 3 +1 1.736727 -1.751683 -1.734226 Rho 0.1246809E-01 |GRAD(Rho)| 0.2440162E-16 GRAD(Rho)x -0.4496906E-17 GRAD(Rho)y -0.1420523E-16 GRAD(Rho)z 0.1932429E-16 Laplacian 0.6298617E-01 (-1/4)Del**2(Rho)) -0.1574654E-01 Diamond 0.2633671E-02 Metallicity 0.7334457E+00 Ellipticity -0.1246929E+01 Gb(Abramov) 0.1242257E-01 Vb(Abramov) -0.9098592E-02 Hb(Abramov) 0.3323975E-02 Ex_ueg -0.2135265E-02 Ec_ueg -0.4812207E-03 Delta_ex -0.3120303E-02 Delta_ec 0.8047038E-03 Delta_et -0.6100244E-02 Pxc 0.4437184E+01 Qxc -0.3877580E+01 3,+1 147 3 +3 2.306399 0.009943 -0.010808 Rho 0.4906230E-02 |GRAD(Rho)| 0.8306708E-17 GRAD(Rho)x -0.4743474E-17 GRAD(Rho)y 0.9019333E-18 GRAD(Rho)z -0.6759243E-17 Laplacian 0.2007489E-01 (-1/4)Del**2(Rho)) -0.5018722E-02 Diamond 0.1930891E-03 Metallicity 0.4862651E+00 Ellipticity -0.3357118E+00 Gb(Abramov) 0.3752553E-02 Vb(Abramov) -0.2486384E-02 Hb(Abramov) 0.1266169E-02 Ex_ueg -0.6157185E-03 Ec_ueg -0.1428797E-03 Delta_ex -0.7437332E-03 Delta_ec 0.1844751E-03 Delta_et -0.1177536E-02 Pxc 0.4309349E+01 Qxc -0.4031618E+01 3,+3 148 3 -1 0.884846 2.001278 -3.036338 Rho 0.1126623E+00 |GRAD(Rho)| 0.6327715E-12 GRAD(Rho)x 0.4570120E-12 GRAD(Rho)y -0.3548875E-12 GRAD(Rho)z -0.2561145E-12 Laplacian 0.4650393E+00 (-1/4)Del**2(Rho)) -0.1162598E+00 Diamond 0.6912469E+00 Metallicity 0.3894227E+01 Ellipticity 0.4946820E-02 Gb(Abramov) 0.1529636E+00 Vb(Abramov) -0.1896673E+00 Hb(Abramov) -0.3670376E-01 Ex_ueg -0.4018740E-01 Ec_ueg -0.6098276E-02 Delta_ex -0.4694836E-01 Delta_ec 0.1323718E-01 Delta_et -0.1691302E+00 Pxc 0.6589962E+01 Qxc -0.3546703E+01 3,-1 149 3 -1 0.886019 3.035544 -2.003334 Rho 0.1135216E+00 |GRAD(Rho)| 0.6654155E-12 GRAD(Rho)x 0.4821243E-12 GRAD(Rho)y 0.2687982E-12 GRAD(Rho)z 0.3715933E-12 Laplacian 0.4684219E+00 (-1/4)Del**2(Rho)) -0.1171055E+00 Diamond 0.7025031E+00 Metallicity 0.3915373E+01 Ellipticity 0.4635889E-02 Gb(Abramov) 0.1544889E+00 Vb(Abramov) -0.1918724E+00 Hb(Abramov) -0.3738345E-01 Ex_ueg -0.4059658E-01 Ec_ueg -0.6151179E-02 Delta_ex -0.4737158E-01 Delta_ec 0.1330639E-01 Delta_et -0.1702548E+00 Pxc 0.6599805E+01 Qxc -0.3560062E+01 3,-1 150 3 -1 1.728641 -0.532524 1.724607 Rho 0.4732572E-01 |GRAD(Rho)| 0.2208071E-16 GRAD(Rho)x -0.1046001E-16 GRAD(Rho)y 0.1600109E-16 GRAD(Rho)z 0.1105039E-16 Laplacian 0.1939703E+00 (-1/4)Del**2(Rho)) -0.4849259E-01 Diamond 0.9043034E-01 Metallicity 0.2199749E+01 Ellipticity 0.1110307E-01 Gb(Abramov) 0.5010698E-01 Vb(Abramov) -0.5172138E-01 Hb(Abramov) -0.1614394E-02 Ex_ueg -0.1264294E-01 Ec_ueg -0.2267592E-02 Delta_ex -0.1570920E-01 Delta_ec 0.5714135E-02 Delta_et -0.5937593E-01 Pxc 0.5575492E+01 Qxc -0.2749183E+01 3,-1 151 3 +1 1.230023 -1.221134 2.170563 Rho 0.2913355E-01 |GRAD(Rho)| 0.6975056E-14 GRAD(Rho)x 0.4810548E-14 GRAD(Rho)y 0.3152040E-14 GRAD(Rho)z 0.3946477E-14 Laplacian 0.1198538E+00 (-1/4)Del**2(Rho)) -0.2996344E-01 Diamond 0.2115974E-01 Metallicity 0.1585929E+01 Ellipticity -0.9447942E+01 Gb(Abramov) 0.2789561E-01 Vb(Abramov) -0.2582778E-01 Hb(Abramov) 0.2067832E-02 Ex_ueg -0.6620786E-02 Ec_ueg -0.1299002E-02 Delta_ex -0.7926733E-02 Delta_ec 0.2319435E-02 Delta_et -0.2121190E-01 Pxc 0.5096826E+01 Qxc -0.3417528E+01 3,+1 152 3 +1 2.875983 -0.169918 0.169539 Rho 0.5646901E-02 |GRAD(Rho)| 0.1251013E-14 GRAD(Rho)x 0.4631292E-16 GRAD(Rho)y -0.8733167E-15 GRAD(Rho)z 0.8945423E-15 Laplacian 0.2327470E-01 (-1/4)Del**2(Rho)) -0.5818675E-02 Diamond 0.6208228E-03 Metallicity 0.5301671E+00 Ellipticity -0.3244607E+01 Gb(Abramov) 0.4393261E-02 Vb(Abramov) -0.2967848E-02 Hb(Abramov) 0.1425413E-02 Ex_ueg -0.7426748E-03 Ec_ueg -0.1748570E-03 Delta_ex -0.1170383E-02 Delta_ec 0.7069198E-03 Delta_et -0.3992201E-02 Pxc 0.4247327E+01 Qxc -0.1655609E+01 3,+1 153 3 -1 1.812542 -0.557662 -2.778602 Rho 0.1349225E+00 |GRAD(Rho)| 0.4378247E-15 GRAD(Rho)x 0.2983860E-15 GRAD(Rho)y 0.3162347E-15 GRAD(Rho)z 0.5149622E-16 Laplacian 0.5641678E+00 (-1/4)Del**2(Rho)) -0.1410419E+00 Diamond 0.1008747E+01 Metallicity 0.4335230E+01 Ellipticity 0.1132721E-01 Gb(Abramov) 0.1959362E+00 Vb(Abramov) -0.2508304E+00 Hb(Abramov) -0.5489422E-01 Ex_ueg -0.5110902E-01 Ec_ueg -0.7485439E-02 Delta_ex -0.5906362E-01 Delta_ec 0.1473261E-01 Delta_et -0.1931536E+00 Pxc 0.6827791E+01 Qxc -0.4009041E+01 3,-1 154 3 +1 2.171247 -1.237097 1.222084 Rho 0.2903921E-01 |GRAD(Rho)| 0.1287483E-13 GRAD(Rho)x 0.1202646E-13 GRAD(Rho)y -0.2771792E-14 GRAD(Rho)z 0.3666408E-14 Laplacian 0.1189870E+00 (-1/4)Del**2(Rho)) -0.2974675E-01 Diamond 0.2080607E-01 Metallicity 0.1588869E+01 Ellipticity -0.8832784E+01 Gb(Abramov) 0.2770845E-01 Vb(Abramov) -0.2567015E-01 Hb(Abramov) 0.2038301E-02 Ex_ueg -0.6592216E-02 Ec_ueg -0.1294156E-02 Delta_ex -0.7853133E-02 Delta_ec 0.2285636E-02 Delta_et -0.2088763E-01 Pxc 0.5093835E+01 Qxc -0.3435864E+01 3,+1 155 3 -1 1.798519 -2.779057 -0.561128 Rho 0.1416934E+00 |GRAD(Rho)| 0.4656598E-13 GRAD(Rho)x 0.3484761E-13 GRAD(Rho)y 0.7807082E-14 GRAD(Rho)z 0.2988450E-13 Laplacian 0.5948812E+00 (-1/4)Del**2(Rho)) -0.1487203E+00 Diamond 0.1124989E+01 Metallicity 0.4461003E+01 Ellipticity 0.9022106E-02 Gb(Abramov) 0.2097205E+00 Vb(Abramov) -0.2707206E+00 Hb(Abramov) -0.6100017E-01 Ex_ueg -0.5455711E-01 Ec_ueg -0.7913913E-02 Delta_ex -0.6299094E-01 Delta_ec 0.1529145E-01 Delta_et -0.2018643E+00 Pxc 0.6893822E+01 Qxc -0.4119357E+01 3,-1 156 3 -1 1.987042 -2.986991 0.852826 Rho 0.1373536E+00 |GRAD(Rho)| 0.1676101E-15 GRAD(Rho)x -0.8626184E-16 GRAD(Rho)y 0.2469948E-16 GRAD(Rho)z -0.1415697E-15 Laplacian 0.5414336E+00 (-1/4)Del**2(Rho)) -0.1353584E+00 Diamond 0.9889797E+00 Metallicity 0.4653730E+01 Ellipticity 0.3340564E-01 Gb(Abramov) 0.1952259E+00 Vb(Abramov) -0.2550933E+00 Hb(Abramov) -0.5986745E-01 Ex_ueg -0.5234056E-01 Ec_ueg -0.7638943E-02 Delta_ex -0.5692826E-01 Delta_ec 0.1407585E-01 Delta_et -0.1850526E+00 Pxc 0.6851806E+01 Qxc -0.4044393E+01 3,-1 157 3 +1 1.736130 1.736989 1.748659 Rho 0.1246656E-01 |GRAD(Rho)| 0.4418933E-16 GRAD(Rho)x -0.4357892E-17 GRAD(Rho)y 0.4369936E-16 GRAD(Rho)z 0.4906260E-17 Laplacian 0.6300282E-01 (-1/4)Del**2(Rho)) -0.1575071E-01 Diamond 0.2633810E-02 Metallicity 0.7331021E+00 Ellipticity -0.1245236E+01 Gb(Abramov) 0.1242495E-01 Vb(Abramov) -0.9099194E-02 Hb(Abramov) 0.3325756E-02 Ex_ueg -0.2134916E-02 Ec_ueg -0.4811499E-03 Delta_ex -0.3120996E-02 Delta_ec 0.8048608E-03 Delta_et -0.6101295E-02 Pxc 0.4437112E+01 Qxc -0.3877684E+01 3,+1 158 3 -1 1.809352 2.780418 0.557533 Rho 0.1366566E+00 |GRAD(Rho)| 0.1594762E-14 GRAD(Rho)x -0.1428884E-14 GRAD(Rho)y -0.5452622E-15 GRAD(Rho)z 0.4519361E-15 Laplacian 0.5713224E+00 (-1/4)Del**2(Rho)) -0.1428306E+00 Diamond 0.1036907E+01 Metallicity 0.4373035E+01 Ellipticity 0.1093405E-01 Gb(Abramov) 0.1993209E+00 Vb(Abramov) -0.2558113E+00 Hb(Abramov) -0.5649033E-01 Ex_ueg -0.5198673E-01 Ec_ueg -0.7594896E-02 Delta_ex -0.5999326E-01 Delta_ec 0.1486494E-01 Delta_et -0.1952604E+00 Pxc 0.6844957E+01 Qxc -0.4035890E+01 3,-1 159 3 -1 1.987515 -0.852328 2.987914 Rho 0.1387478E+00 |GRAD(Rho)| 0.1827155E-15 GRAD(Rho)x -0.3808260E-16 GRAD(Rho)y -0.6365622E-16 GRAD(Rho)z 0.1669807E-15 Laplacian 0.5470784E+00 (-1/4)Del**2(Rho)) -0.1367696E+00 Diamond 0.1011438E+01 Metallicity 0.4683893E+01 Ellipticity 0.3463146E-01 Gb(Abramov) 0.1979488E+00 Vb(Abramov) -0.2591279E+00 Hb(Abramov) -0.6117917E-01 Ex_ueg -0.5305013E-01 Ec_ueg -0.7727147E-02 Delta_ex -0.5766251E-01 Delta_ec 0.1418683E-01 Delta_et -0.1867991E+00 Pxc 0.6865422E+01 Qxc -0.4064510E+01 3,-1 160 3 -1 1.727169 -1.725217 0.529925 Rho 0.4733352E-01 |GRAD(Rho)| 0.1023098E-15 GRAD(Rho)x 0.2767595E-16 GRAD(Rho)y 0.9544706E-16 GRAD(Rho)z 0.2431450E-16 Laplacian 0.1938542E+00 (-1/4)Del**2(Rho)) -0.4846354E-01 Diamond 0.9040071E-01 Metallicity 0.2201672E+01 Ellipticity 0.1092855E-01 Gb(Abramov) 0.5009250E-01 Vb(Abramov) -0.5172146E-01 Hb(Abramov) -0.1628960E-02 Ex_ueg -0.1264572E-01 Ec_ueg -0.2268019E-02 Delta_ex -0.1570064E-01 Delta_ec 0.5711061E-02 Delta_et -0.5934663E-01 Pxc 0.5575665E+01 Qxc -0.2749163E+01 3,-1 161 3 -1 1.733434 1.741265 -0.547582 Rho 0.4706945E-01 |GRAD(Rho)| 0.3043957E-15 GRAD(Rho)x -0.1496076E-15 GRAD(Rho)y -0.2366322E-15 GRAD(Rho)z -0.1194969E-15 Laplacian 0.1931458E+00 (-1/4)Del**2(Rho)) -0.4828646E-01 Diamond 0.8932966E-01 Metallicity 0.2189239E+01 Ellipticity 0.1590812E-01 Gb(Abramov) 0.4980940E-01 Vb(Abramov) -0.5133235E-01 Hb(Abramov) -0.1522944E-02 Ex_ueg -0.1255174E-01 Ec_ueg -0.2253536E-02 Delta_ex -0.1561857E-01 Delta_ec 0.5685576E-02 Delta_et -0.5899392E-01 Pxc 0.5569798E+01 Qxc -0.2747052E+01 3,-1 162 3 +1 2.890044 0.183664 -0.184266 Rho 0.5573128E-02 |GRAD(Rho)| 0.5245049E-15 GRAD(Rho)x 0.5796694E-16 GRAD(Rho)y 0.3641707E-15 GRAD(Rho)z -0.3729945E-15 Laplacian 0.2312817E-01 (-1/4)Del**2(Rho)) -0.5782043E-02 Diamond 0.5608438E-03 Metallicity 0.5219596E+00 Ellipticity -0.2144342E+01 Gb(Abramov) 0.4357694E-02 Vb(Abramov) -0.2933345E-02 Hb(Abramov) 0.1424349E-02 Ex_ueg -0.7297663E-03 Ec_ueg -0.1716596E-03 Delta_ex -0.1123622E-02 Delta_ec 0.6375573E-03 Delta_et -0.3613227E-02 Pxc 0.4251240E+01 Qxc -0.1762386E+01 3,+1 163 3 -1 2.767462 0.557109 1.801103 Rho 0.1497011E+00 |GRAD(Rho)| 0.1566313E-15 GRAD(Rho)x -0.9242146E-16 GRAD(Rho)y -0.1253473E-15 GRAD(Rho)z -0.1672382E-16 Laplacian 0.6292485E+00 (-1/4)Del**2(Rho)) -0.1573121E+00 Diamond 0.1267766E+01 Metallicity 0.4622029E+01 Ellipticity 0.1029270E-01 Gb(Abramov) 0.2260583E+00 Vb(Abramov) -0.2948045E+00 Hb(Abramov) -0.6874617E-01 Ex_ueg -0.5870635E-01 Ec_ueg -0.8424384E-02 Delta_ex -0.6749874E-01 Delta_ec 0.1589573E-01 Delta_et -0.2113662E+00 Pxc 0.6968623E+01 Qxc -0.4246344E+01 3,-1 164 3 -1 2.023173 0.854098 -3.025273 Rho 0.1628226E+00 |GRAD(Rho)| 0.4212043E-15 GRAD(Rho)x 0.2505185E-15 GRAD(Rho)y -0.3385692E-15 GRAD(Rho)z 0.4946672E-17 Laplacian 0.6385767E+00 (-1/4)Del**2(Rho)) -0.1596442E+00 Diamond 0.1424134E+01 Metallicity 0.5239113E+01 Ellipticity 0.3603768E-01 Gb(Abramov) 0.2458285E+00 Vb(Abramov) -0.3320127E+00 Hb(Abramov) -0.8618427E-01 Ex_ueg -0.6566560E-01 Ec_ueg -0.9269334E-02 Delta_ex -0.6994657E-01 Delta_ec 0.1580891E-01 Delta_et -0.2125748E+00 Pxc 0.7084177E+01 Qxc -0.4424503E+01 3,-1 165 3 -1 3.008937 0.853920 -1.984876 Rho 0.1416985E+00 |GRAD(Rho)| 0.7247156E-15 GRAD(Rho)x 0.1513817E-15 GRAD(Rho)y 0.5197936E-15 GRAD(Rho)z 0.4817788E-15 Laplacian 0.5545415E+00 (-1/4)Del**2(Rho)) -0.1386354E+00 Diamond 0.1053455E+01 Metallicity 0.4785798E+01 Ellipticity 0.3671435E-01 Gb(Abramov) 0.2030037E+00 Vb(Abramov) -0.2673721E+00 Hb(Abramov) -0.6436836E-01 Ex_ueg -0.5455969E-01 Ec_ueg -0.7914232E-02 Delta_ex -0.5877055E-01 Delta_ec 0.1434473E-01 Delta_et -0.1895594E+00 Pxc 0.6893870E+01 Qxc -0.4097014E+01 3,-1 166 3 +1 2.185530 1.233944 -1.219017 Rho 0.2888864E-01 |GRAD(Rho)| 0.4948310E-16 GRAD(Rho)x 0.4389740E-16 GRAD(Rho)y 0.1402114E-16 GRAD(Rho)z -0.1802785E-16 Laplacian 0.1185603E+00 (-1/4)Del**2(Rho)) -0.2964007E-01 Diamond 0.2057418E-01 Metallicity 0.1580832E+01 Ellipticity -0.8627541E+01 Gb(Abramov) 0.2756938E-01 Vb(Abramov) -0.2549869E-01 Hb(Abramov) 0.2070693E-02 Ex_ueg -0.6546682E-02 Ec_ueg -0.1286426E-02 Delta_ex -0.7813353E-02 Delta_ec 0.2275892E-02 Delta_et -0.2077181E-01 Pxc 0.5089048E+01 Qxc -0.3433095E+01 3,+1 167 3 -1 2.766945 -1.802041 -0.559297 Rho 0.1508295E+00 |GRAD(Rho)| 0.2784104E-15 GRAD(Rho)x 0.4042041E-16 GRAD(Rho)y -0.2311790E-15 GRAD(Rho)z 0.1497825E-15 Laplacian 0.6341199E+00 (-1/4)Del**2(Rho)) -0.1585300E+00 Diamond 0.1289013E+01 Metallicity 0.4644287E+01 Ellipticity 0.1028389E-01 Gb(Abramov) 0.2283964E+00 Vb(Abramov) -0.2982629E+00 Hb(Abramov) -0.6986644E-01 Ex_ueg -0.5929710E-01 Ec_ueg -0.8496636E-02 Delta_ex -0.6814571E-01 Delta_ec 0.1598634E-01 Delta_et -0.2127849E+00 Pxc 0.6978892E+01 Qxc -0.4262745E+01 3,-1 168 3 -1 2.989711 -1.991560 0.856856 Rho 0.1393894E+00 |GRAD(Rho)| 0.2615701E-15 GRAD(Rho)x 0.1730658E-16 GRAD(Rho)y -0.1379783E-15 GRAD(Rho)z -0.2215432E-15 Laplacian 0.5482630E+00 (-1/4)Del**2(Rho)) -0.1370657E+00 Diamond 0.1019944E+01 Metallicity 0.4709853E+01 Ellipticity 0.3578715E-01 Gb(Abramov) 0.1989704E+00 Vb(Abramov) -0.2608751E+00 Hb(Abramov) -0.6190466E-01 Ex_ueg -0.5337750E-01 Ec_ueg -0.7767784E-02 Delta_ex -0.5785974E-01 Delta_ec 0.1421501E-01 Delta_et -0.1873293E+00 Pxc 0.6871650E+01 Qxc -0.4070329E+01 3,-1 169 3 -1 2.991508 -0.859342 1.991026 Rho 0.1414895E+00 |GRAD(Rho)| 0.5701394E-15 GRAD(Rho)x -0.3272664E-15 GRAD(Rho)y 0.4396982E-15 GRAD(Rho)z 0.1569112E-15 Laplacian 0.5566148E+00 (-1/4)Del**2(Rho)) -0.1391537E+00 Diamond 0.1054217E+01 Metallicity 0.4756257E+01 Ellipticity 0.3752979E-01 Gb(Abramov) 0.2030776E+00 Vb(Abramov) -0.2670015E+00 Hb(Abramov) -0.6392389E-01 Ex_ueg -0.5445242E-01 Ec_ueg -0.7900963E-02 Delta_ex -0.5895502E-01 Delta_ec 0.1437847E-01 Delta_et -0.1899104E+00 Pxc 0.6891872E+01 Qxc -0.4100229E+01 3,-1 170 3 -1 3.223881 -0.069111 -3.197173 Rho 0.2500335E+00 |GRAD(Rho)| 0.6723469E-14 GRAD(Rho)x 0.4988197E-14 GRAD(Rho)y -0.4456694E-14 GRAD(Rho)z 0.6788190E-15 Laplacian 0.9101142E+00 (-1/4)Del**2(Rho)) -0.2275285E+00 Diamond 0.3368577E+01 Metallicity 0.7513593E+01 Ellipticity 0.2741613E-02 Gb(Abramov) 0.4366119E+00 Vb(Abramov) -0.6456952E+00 Hb(Abramov) -0.2090833E+00 Ex_ueg -0.1163365E+00 Ec_ueg -0.1513546E-01 Delta_ex -0.1110805E+00 Delta_ec 0.1974386E-01 Delta_et -0.2732648E+00 Pxc 0.7686356E+01 Qxc -0.5626080E+01 3,-1 171 3 -1 2.884433 -0.044678 0.044219 Rho 0.5665204E-02 |GRAD(Rho)| 0.7657296E-17 GRAD(Rho)x 0.5793051E-18 GRAD(Rho)y -0.7123755E-17 GRAD(Rho)z 0.2747854E-17 Laplacian 0.2273983E-01 (-1/4)Del**2(Rho)) -0.5684957E-02 Diamond 0.7119947E-03 Metallicity 0.5455718E+00 Ellipticity 0.2879118E+01 Gb(Abramov) 0.4306897E-02 Vb(Abramov) -0.2928836E-02 Hb(Abramov) 0.1378060E-02 Ex_ueg -0.7458860E-03 Ec_ueg -0.1756506E-03 Delta_ex -0.1225029E-02 Delta_ec 0.8349459E-03 Delta_et -0.4660243E-02 Pxc 0.4246418E+01 Qxc -0.1467195E+01 3,-1 172 3 -1 3.203866 0.067974 3.196515 Rho 0.2502186E+00 |GRAD(Rho)| 0.8684222E-15 GRAD(Rho)x -0.2983724E-15 GRAD(Rho)y -0.1878109E-15 GRAD(Rho)z -0.7936360E-15 Laplacian 0.9106061E+00 (-1/4)Del**2(Rho)) -0.2276515E+00 Diamond 0.3373991E+01 Metallicity 0.7518799E+01 Ellipticity 0.2058546E-02 Gb(Abramov) 0.4370453E+00 Vb(Abramov) -0.6464392E+00 Hb(Abramov) -0.2093938E+00 Ex_ueg -0.1164513E+00 Ec_ueg -0.1514835E-01 Delta_ex -0.1111651E+00 Delta_ec 0.1975539E-01 Delta_et -0.2734533E+00 Pxc 0.7687393E+01 Qxc -0.5627077E+01 3,-1 173 3 -1 3.201229 -3.197467 -0.071346 Rho 0.2501969E+00 |GRAD(Rho)| 0.4670463E-15 GRAD(Rho)x 0.3191891E-15 GRAD(Rho)y -0.3024924E-15 GRAD(Rho)z -0.1573177E-15 Laplacian 0.9105032E+00 (-1/4)Del**2(Rho)) -0.2276258E+00 Diamond 0.3373326E+01 Metallicity 0.7518566E+01 Ellipticity 0.1957780E-02 Gb(Abramov) 0.4369871E+00 Vb(Abramov) -0.6463485E+00 Hb(Abramov) -0.2093613E+00 Ex_ueg -0.1164379E+00 Ec_ueg -0.1514684E-01 Delta_ex -0.1111504E+00 Delta_ec 0.1975428E-01 Delta_et -0.2734402E+00 Pxc 0.7687272E+01 Qxc -0.5626649E+01 3,-1 174 3 -1 3.221423 3.197990 0.072308 Rho 0.2500197E+00 |GRAD(Rho)| 0.6896527E-14 GRAD(Rho)x -0.1352867E-14 GRAD(Rho)y 0.4663804E-14 GRAD(Rho)z 0.4897016E-14 Laplacian 0.9098948E+00 (-1/4)Del**2(Rho)) -0.2274737E+00 Diamond 0.3367688E+01 Metallicity 0.7514710E+01 Ellipticity 0.2749905E-02 Gb(Abramov) 0.4365489E+00 Vb(Abramov) -0.6456242E+00 Hb(Abramov) -0.2090753E+00 Ex_ueg -0.1163279E+00 Ec_ueg -0.1513449E-01 Delta_ex -0.1110529E+00 Delta_ec 0.1974076E-01 Delta_et -0.2732278E+00 Pxc 0.7686278E+01 Qxc -0.5625562E+01 3,-1 175 3 -1 -0.560495 -2.774201 1.804668 Rho 0.1433799E+00 |GRAD(Rho)| 0.5550794E-15 GRAD(Rho)x 0.2277096E-15 GRAD(Rho)y 0.1751732E-15 GRAD(Rho)z 0.4749483E-15 Laplacian 0.6030861E+00 (-1/4)Del**2(Rho)) -0.1507715E+00 Diamond 0.1156468E+01 Metallicity 0.4487945E+01 Ellipticity 0.9229235E-02 Gb(Abramov) 0.2132901E+00 Vb(Abramov) -0.2758086E+00 Hb(Abramov) -0.6251854E-01 Ex_ueg -0.5542461E-01 Ec_ueg -0.8021087E-02 Delta_ex -0.6404068E-01 Delta_ec 0.1545064E-01 Delta_et -0.2043071E+00 Pxc 0.6909863E+01 Qxc -0.4144857E+01 3,-1 176 3 -1 1.801553 0.560523 2.777294 Rho 0.1394513E+00 |GRAD(Rho)| 0.1929873E-12 GRAD(Rho)x 0.1458860E-12 GRAD(Rho)y -0.1223177E-12 GRAD(Rho)z -0.3161893E-13 Laplacian 0.5855587E+00 (-1/4)Del**2(Rho)) -0.1463897E+00 Diamond 0.1087029E+01 Metallicity 0.4413134E+01 Ellipticity 0.8792220E-02 Gb(Abramov) 0.2052660E+00 Vb(Abramov) -0.2641423E+00 Hb(Abramov) -0.5887633E-01 Ex_ueg -0.5340910E-01 Ec_ueg -0.7771706E-02 Delta_ex -0.6177075E-01 Delta_ec 0.1512394E-01 Delta_et -0.1992045E+00 Pxc 0.6872250E+01 Qxc -0.4084303E+01 3,-1 177 3 -1 3.007343 1.985207 -0.852143 Rho 0.1398472E+00 |GRAD(Rho)| 0.3306219E-15 GRAD(Rho)x 0.1252592E-15 GRAD(Rho)y -0.1125537E-15 GRAD(Rho)z -0.2845218E-15 Laplacian 0.5471330E+00 (-1/4)Del**2(Rho)) -0.1367832E+00 Diamond 0.1023140E+01 Metallicity 0.4745440E+01 Ellipticity 0.3509040E-01 Gb(Abramov) 0.1993716E+00 Vb(Abramov) -0.2619600E+00 Hb(Abramov) -0.6258836E-01 Ex_ueg -0.5361134E-01 Ec_ueg -0.7796789E-02 Delta_ex -0.5780058E-01 Delta_ec 0.1419943E-01 Delta_et -0.1872691E+00 Pxc 0.6876079E+01 Qxc -0.4070628E+01 3,-1 178 3 -1 2.767879 1.805850 0.553366 Rho 0.1292149E+00 |GRAD(Rho)| 0.3446938E-15 GRAD(Rho)x -0.4381193E-16 GRAD(Rho)y 0.2610759E-15 GRAD(Rho)z -0.2207571E-15 Laplacian 0.5468065E+00 (-1/4)Del**2(Rho)) -0.1367016E+00 Diamond 0.9273249E+00 Metallicity 0.4161987E+01 Ellipticity 0.9932067E-02 Gb(Abramov) 0.1859595E+00 Vb(Abramov) -0.2352173E+00 Hb(Abramov) -0.4925785E-01 Ex_ueg -0.4824682E-01 Ec_ueg -0.7126566E-02 Delta_ex -0.5664077E-01 Delta_ec 0.1440830E-01 Delta_et -0.1875595E+00 Pxc 0.6769996E+01 Qxc -0.3931121E+01 3,-1 179 3 -1 2.769839 -0.552175 -1.805346 Rho 0.1282547E+00 |GRAD(Rho)| 0.4312875E-15 GRAD(Rho)x 0.2701391E-15 GRAD(Rho)y -0.2184396E-15 GRAD(Rho)z 0.2555736E-15 Laplacian 0.5424972E+00 (-1/4)Del**2(Rho)) -0.1356243E+00 Diamond 0.9120104E+00 Metallicity 0.4143216E+01 Ellipticity 0.1050153E-01 Gb(Abramov) 0.1840697E+00 Vb(Abramov) -0.2325150E+00 Hb(Abramov) -0.4844536E-01 Ex_ueg -0.4776934E-01 Ec_ueg -0.7066398E-02 Delta_ex -0.5609609E-01 Delta_ec 0.1432461E-01 Delta_et -0.1862502E+00 Pxc 0.6760070E+01 Qxc -0.3916062E+01 3,-1 180 3 -1 -1.804042 -2.775478 0.561355 Rho 0.1368782E+00 |GRAD(Rho)| 0.7277857E-14 GRAD(Rho)x -0.5584061E-14 GRAD(Rho)y 0.1085198E-14 GRAD(Rho)z -0.4539582E-14 Laplacian 0.5768442E+00 (-1/4)Del**2(Rho)) -0.1442110E+00 Diamond 0.1046965E+01 Metallicity 0.4342888E+01 Ellipticity 0.8580573E-02 Gb(Abramov) 0.2005228E+00 Vb(Abramov) -0.2568345E+00 Hb(Abramov) -0.5631171E-01 Ex_ueg -0.5209918E-01 Ec_ueg -0.7608899E-02 Delta_ex -0.6057437E-01 Delta_ec 0.1496248E-01 Delta_et -0.1965101E+00 Pxc 0.6847138E+01 Qxc -0.4048419E+01 3,-1 181 3 -1 -1.836303 2.804354 -0.571625 Rho 0.1624840E+00 |GRAD(Rho)| 0.3468898E-14 GRAD(Rho)x -0.2404950E-14 GRAD(Rho)y -0.8192977E-15 GRAD(Rho)z 0.2361826E-14 Laplacian 0.6774670E+00 (-1/4)Del**2(Rho)) -0.1693668E+00 Diamond 0.1500587E+01 Metallicity 0.4921255E+01 Ellipticity 0.7022139E-02 Gb(Abramov) 0.2518273E+00 Vb(Abramov) -0.3342879E+00 Hb(Abramov) -0.8246058E-01 Ex_ueg -0.6548358E-01 Ec_ueg -0.9247399E-02 Delta_ex -0.7410977E-01 Delta_ec 0.1667660E-01 Delta_et -0.2239143E+00 Pxc 0.7081297E+01 Qxc -0.4443938E+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 80 127 115 175 145 143 125 114 126 122 113 101 121 128 111 136 148 149 134 110 131 133 112 106 135 160 167 155 168 156 173 161 178 158 177 141 174 94 67 181 79 96 66 95 80 180 61 90 78 76 73 99 64 85 69 100 72 87 74 93 59 150 163 176 169 159 172 119 179 153 165 164 170 108 120 142 58 70 171 140 123 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 22 26 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 24 28 2.390575 1.933903 1.929926 1.947166 1.943547 1.727786 2.386749 1.927290 1.942477 1.939163 1.953661 1.727185 2.441541 2.019423 2.015979 2.029983 2.027030 1.763296 2.387328 1.935859 1.931768 1.948929 1.945501 1.727197 2.389693 1.910329 1.934654 1.953015 1.958970 1.728018 2.391045 1.970616 1.948796 1.951574 1.894337 1.728303 2.403011 1.943608 1.882980 1.982811 1.957149 1.728512 2.404073 1.939753 1.948036 1.920369 1.943811 1.727429 2.402763 1.936362 1.880712 1.986673 1.964007 1.728634 2.403840 1.935381 1.944417 1.923658 1.948901 1.727450 2.389603 1.913277 1.940893 1.947035 1.954885 1.727981 2.390430 1.973561 1.953812 1.946304 1.892066 1.728272 1.697450 1.696246 1.691612 1.696148 3.258772 3.242477 3.244081 3.244495 2.392338 1.934316 1.930343 1.947825 1.944203 1.727791 2.388447 1.927717 1.942896 1.939836 1.954332 1.727190 2.443481 2.019695 2.016246 2.030381 2.027426 1.763304 2.389025 1.936284 1.932192 1.949599 1.946178 1.727203 2.391340 1.910732 1.935060 1.953677 1.959644 1.728022 2.392806 1.971004 1.949208 1.952251 1.894866 1.728310 2.404729 1.944016 1.883254 1.983498 1.957805 1.728516 2.405863 1.940170 1.948449 1.921000 1.944469 1.727434 2.404503 1.936774 1.880979 1.987361 1.964668 1.728639 2.405622 1.935798 1.944831 1.924295 1.949561 1.727455 2.391257 1.913686 1.941296 1.947693 1.955557 1.727986 2.392221 1.973948 1.954218 1.946978 1.892589 1.728276 1.697452 1.696249 1.691615 1.696151 3.265963 3.252075 3.251472 3.251921 30 27 28 26 24 23 27 27 27 25 25 23 29 26 29 24 25 24 27 28 28 25 25 25 27 27 25 28 24 21 27 28 24 28 24 24 27 27 27 26 26 22 27 27 27 27 25 25 30 29 26 27 28 22 27 27 25 26 26 23 27 26 28 27 25 24 30 28 25 29 24 21 24 24 23 23 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W Ta W W W W W 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 O As 2.5229 2.5197 2.3145 2.5198 2.5217 2.5117 2.5158 2.5206 2.5158 2.5210 2.5216 2.5115 -1.1399 -1.1369 -1.1305 -1.1368 -0.9544 -0.9542 -0.9568 -0.9545 -0.9556 -0.9528 -0.9618 -0.9542 -0.9629 -0.9544 -0.9555 -0.9528 -0.9531 -0.9551 -0.9522 -0.9553 -0.9533 -0.9635 -0.9516 -0.9543 -0.9513 -0.9543 -0.9536 -0.9646 -0.7521 -0.7490 -0.8607 -0.7491 -0.7528 -0.7540 -0.7562 -0.7512 -0.7565 -0.7513 -0.7526 -0.7538 2.5991 2.0799 2.0809 2.0877 2.0808 2.0794 2.0865 2.0845 2.0799 2.0846 2.0799 2.0793 2.0865 1.9352 1.9359 1.9370 1.9359 1.9331 1.9335 1.9329 1.9334 1.9329 1.9333 1.9336 1.9332 1.9333 1.9332 1.9329 1.9333 1.9461 1.9460 1.9455 1.9459 1.9461 1.9447 1.9459 1.9459 1.9458 1.9458 1.9461 1.9446 1.9720 1.9725 1.9543 1.9725 1.9719 1.9719 1.9720 1.9722 1.9720 1.9722 1.9719 1.9719 0.8002 6.0773 6.0789 6.0526 6.0789 6.0778 6.0812 6.0816 6.0782 6.0816 6.0782 6.0777 6.0810 5.1644 5.1609 5.1540 5.1607 4.9912 4.9908 4.9940 4.9912 4.9929 4.9894 4.9997 4.9911 5.0012 4.9912 4.9929 4.9893 4.9746 4.9771 4.9743 4.9775 4.9751 4.9881 4.9733 4.9763 4.9730 4.9763 4.9754 4.9894 4.7425 4.7388 4.8755 4.7389 4.7433 4.7446 4.7467 4.7413 4.7470 4.7415 4.7432 4.7445 1.0590 3.2909 3.2916 2.5119 3.2916 3.2920 3.2918 3.2892 3.2923 3.2891 3.2919 3.2922 3.2921 0.0403 0.0401 0.0395 0.0401 0.0301 0.0299 0.0299 0.0298 0.0298 0.0301 0.0285 0.0299 0.0284 0.0299 0.0298 0.0301 0.0324 0.0320 0.0325 0.0319 0.0322 0.0307 0.0324 0.0322 0.0325 0.0322 0.0322 0.0307 0.0376 0.0377 0.0309 0.0377 0.0375 0.0375 0.0374 0.0377 0.0374 0.0377 0.0375 0.0375 10.5417 14.0290 14.0290 14.0333 14.0290 14.0291 14.0289 14.0289 14.0290 14.0290 14.0290 14.0291 14.0289 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 W Ta W W W W W 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 O As 2.520290 2.520334 2.380599 2.520395 2.519111 2.518889 2.517027 2.520097 2.516622 2.520033 2.519353 2.518878 -1.099242 -1.099210 -1.099860 -1.099189 -0.948172 -0.950309 -0.952949 -0.950644 -0.949982 -0.948683 -0.961846 -0.949879 -0.962704 -0.949724 -0.950248 -0.948848 -0.921979 -0.923962 -0.923646 -0.924177 -0.922767 -0.938786 -0.921373 -0.922431 -0.921294 -0.922535 -0.922830 -0.939674 -0.779114 -0.775432 -0.919306 -0.775458 -0.779791 -0.781643 -0.783186 -0.777855 -0.783513 -0.778040 -0.779624 -0.781429 2.329708 1.942191 1.943848 1.869821 1.943155 1.941901 1.946669 1.944507 1.943648 1.944571 1.943049 1.941798 1.947208 -0.762874 -0.763661 -0.766972 -0.763699 -0.710060 -0.715454 -0.713449 -0.715100 -0.712691 -0.711491 -0.740521 -0.712414 -0.740764 -0.712919 -0.712184 -0.711835 -0.753821 -0.759136 -0.752727 -0.758975 -0.755538 -0.780538 -0.752746 -0.754181 -0.753181 -0.753596 -0.756090 -0.781224 -0.669062 -0.664680 -0.824239 -0.665171 -0.669029 -0.670580 -0.672265 -0.667153 -0.672305 -0.667676 -0.669072 -0.670122 1.706828 2.042732 2.044675 1.971710 2.044414 2.041700 2.045796 2.045089 2.043493 2.044682 2.043213 2.041780 2.046017 -0.815439 -0.817586 -0.820931 -0.817598 -0.790095 -0.792234 -0.792733 -0.792187 -0.792453 -0.788818 -0.815335 -0.790960 -0.816448 -0.791509 -0.791818 -0.788964 -0.787729 -0.790266 -0.786964 -0.790334 -0.788321 -0.808903 -0.785171 -0.787566 -0.785011 -0.787329 -0.788696 -0.810221 -0.636549 -0.631797 -0.803379 -0.632031 -0.636679 -0.638937 -0.639436 -0.634998 -0.639617 -0.635346 -0.636704 -0.638571 1.660360 0.19330285 -3.19170542 3.18627072 4.51405257 6.78684661 1.15168686 -1.16247683 -3.38970452 14.50876038 -3.39714209 -413.2185 420.5374 -53.4807 -400.8363 -18.4732 -465.4713 Jun19-2024 11:57:44 Nodes: 1 Procs: 1 Jun19-2024 11:57:46 Nodes: 1 Procs: 1 0 Jun19-2024 11:57:50 Nodes: 1 Procs: 1 Jun19-2024 11:57:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 11:57:57 Nodes: 1 Procs: 1 Jun19-2024 11:57:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 11:58:00 Nodes: 1 Procs: 1 Jun19-2024 11:58:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 11:58:08 Nodes: 1 Procs: 5 *** (NO TITLE) *** -4 -17.00730857 -17.09092860 -17.09846660 -17.10185551 -17.10277599 -17.10399321 -17.10441652 -17.10500199 -17.10521833 -17.10542756 -17.10554284 -17.10565443 -17.10570821 -17.10572998 -17.10574660 -17.10575623 GEOMETRY CONVERGED