ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:34 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.04 1.40 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 Jun20-2024 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.07 2.07 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 Jun20-2024 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:40 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:43 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.09 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 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 Jun20-2024 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:40 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:19:43 Nodes: 1 Procs: 1 Jun20-2024 07:19:46 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.38 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 Jun20-2024 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:40 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:19:43 Nodes: 1 Procs: 1 Jun20-2024 07:19:46 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:19:50 Nodes: 1 Procs: 1 Jun20-2024 07:19:52 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:19:54 Hydrogen (TZP) c2-2 c2-2 c2-2 c2-2 c2-2 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.08 3.25 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 Jun20-2024 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:40 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:19:43 Nodes: 1 Procs: 1 Jun20-2024 07:19:46 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:19:50 Nodes: 1 Procs: 1 Jun20-2024 07:19:52 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 07:19:54 Nodes: 1 Procs: 1 Jun20-2024 07:19:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:20:02 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2906.517100000006 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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 -5.924 -5.878 -5.860 -5.851 -5.823 -5.791 -5.767 -5.689 -5.526 -5.511 -2.501 -2.457 -2.262 -2.138 -1.912 -1.844 -1.836 -1.668 -1.557 -1.538 A A A A A A A A A A A A A A A A A A A A 0.00000000063776 0.00045131998144 0.00032245119964 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 74 74 74 74 74 74 74 73 73 73 73 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 1 0.090782 -2.559132 2.555401 -0.144883 2.569463 2.567410 2.578382 -2.559184 0.075456 2.544664 2.582765 -0.148161 -2.574574 -2.588073 -0.120072 -2.550971 -0.140299 -2.605801 2.537907 -0.093521 2.542607 -0.076531 -2.616048 -2.596034 0.106366 2.581065 -2.628934 -2.551729 2.490339 0.098650 -2.613139 0.102495 2.592975 2.577918 0.110972 -2.631721 0.955241 -0.964834 0.969169 -0.982487 -0.984328 -1.001979 0.973570 0.989999 -1.007154 -1.017522 0.998023 0.950046 -3.021645 -1.233347 1.159954 3.063207 -1.191621 -1.111860 -3.041679 1.074114 -1.166821 2.990643 1.156235 1.167868 1.224617 -1.237477 -3.094493 1.131347 1.142905 3.014009 -1.238955 1.128315 -3.099276 -1.129435 -1.206694 3.049584 -1.208742 3.017206 -1.166154 -1.143106 -3.056566 1.169975 1.131731 2.972654 1.158722 1.233392 -3.110118 -1.130207 3.412062 -1.498552 1.546909 -3.435040 -1.568485 -1.508714 3.459716 1.568556 -1.454384 -3.496015 1.535637 1.542601 1.513806 -1.507113 3.422789 1.554877 1.555948 -3.508067 -1.481424 1.546397 3.471755 -1.583053 -1.555931 -3.454482 -1.534859 -3.475696 -1.455188 -1.509502 3.448354 1.556103 1.537335 -3.391730 1.536553 1.541480 3.486729 -1.484727 -0.183050 -3.788504 3.764501 0.190458 -3.896848 -3.810148 -0.241631 3.851390 -3.832710 0.247999 3.779614 3.761425 3.824982 -3.761510 -0.154685 3.736244 3.788339 0.273168 -3.923382 3.825241 -0.231407 -3.781337 -3.802595 0.222865 -3.827954 0.152160 -3.759730 -3.822291 -0.246697 3.857039 3.737441 0.240608 3.765068 3.893984 -0.192718 -3.802183 -0.014432 0.018203 -0.029890 -3.810686 4.427893 -0.991317 1 3 -3 0.090782 -2.559132 2.555401 Rho 0.4361414E+07 3,-3 2 3 -3 -0.144883 2.569463 2.567410 Rho 0.4361414E+07 3,-3 3 3 -3 2.578382 -2.559184 0.075456 Rho 0.4361415E+07 3,-3 4 3 -3 2.544664 2.582765 -0.148161 Rho 0.4361414E+07 3,-3 5 3 -3 -2.574574 -2.588073 -0.120072 Rho 0.4361414E+07 3,-3 6 3 -3 -2.550971 -0.140299 -2.605801 Rho 0.4361414E+07 3,-3 7 3 -3 2.537907 -0.093521 2.542607 Rho 0.4361414E+07 3,-3 8 3 -3 -0.076531 -2.616048 -2.596034 Rho 0.3882646E+07 3,-3 9 3 -3 0.106366 2.581065 -2.628934 Rho 0.3882646E+07 3,-3 10 3 -3 -2.551729 2.490339 0.098650 Rho 0.3882646E+07 3,-3 11 3 -3 -2.613139 0.102495 2.592975 Rho 0.3882646E+07 3,-3 12 3 -3 2.577918 0.110972 -2.631721 Rho 0.3882646E+07 3,-3 13 3 -3 0.955241 -0.964834 0.969169 Rho 0.3190330E+03 3,-3 14 3 -3 -0.982487 -0.984328 -1.001979 Rho 0.3190315E+03 3,-3 15 3 -3 0.973570 0.989999 -1.007154 Rho 0.3190183E+03 3,-3 16 3 -3 -1.017522 0.998023 0.950046 Rho 0.3189761E+03 3,-3 17 3 -3 -3.021645 -1.233347 1.159954 Rho 0.3188482E+03 3,-3 18 3 -3 3.063207 -1.191621 -1.111860 Rho 0.3188765E+03 3,-3 19 3 -3 -3.041679 1.074114 -1.166821 Rho 0.3188590E+03 3,-3 20 3 -3 2.990643 1.156235 1.167868 Rho 0.3188658E+03 3,-3 21 3 -3 1.224617 -1.237477 -3.094493 Rho 0.3188153E+03 3,-3 22 3 -3 1.131347 1.142905 3.014009 Rho 0.3188624E+03 3,-3 23 3 -3 -1.238955 1.128315 -3.099276 Rho 0.3188519E+03 3,-3 24 3 -3 -1.129435 -1.206694 3.049584 Rho 0.3188707E+03 3,-3 25 3 -3 -1.208742 3.017206 -1.166154 Rho 0.3188777E+03 3,-3 26 3 -3 -1.143106 -3.056566 1.169975 Rho 0.3188560E+03 3,-3 27 3 -3 1.131731 2.972654 1.158722 Rho 0.3188586E+03 3,-3 28 3 -3 1.233392 -3.110118 -1.130207 Rho 0.3188570E+03 3,-3 29 3 -3 3.412062 -1.498552 1.546909 Rho 0.3189364E+03 3,-3 30 3 -3 -3.435040 -1.568485 -1.508714 Rho 0.3189297E+03 3,-3 31 3 -3 3.459716 1.568556 -1.454384 Rho 0.3189317E+03 3,-3 32 3 -3 -3.496015 1.535637 1.542601 Rho 0.3189005E+03 3,-3 33 3 -3 1.513806 -1.507113 3.422789 Rho 0.3189328E+03 3,-3 34 3 -3 1.554877 1.555948 -3.508067 Rho 0.3188684E+03 3,-3 35 3 -3 -1.481424 1.546397 3.471755 Rho 0.3189139E+03 3,-3 36 3 -3 -1.583053 -1.555931 -3.454482 Rho 0.3189146E+03 3,-3 37 3 -3 -1.534859 -3.475696 -1.455188 Rho 0.3189231E+03 3,-3 38 3 -3 -1.509502 3.448354 1.556103 Rho 0.3189290E+03 3,-3 39 3 -3 1.537335 -3.391730 1.536553 Rho 0.3189351E+03 3,-3 40 3 -3 1.541480 3.486729 -1.484727 Rho 0.3189159E+03 3,-3 41 3 -3 -0.183050 -3.788504 3.764501 Rho 0.3192763E+03 3,-3 42 3 -3 0.190458 -3.896848 -3.810148 Rho 0.3191399E+03 3,-3 43 3 -3 -0.241631 3.851390 -3.832710 Rho 0.3191430E+03 3,-3 44 3 -3 0.247999 3.779614 3.761425 Rho 0.3192791E+03 3,-3 45 3 -3 3.824982 -3.761510 -0.154685 Rho 0.3192684E+03 3,-3 46 3 -3 3.736244 3.788339 0.273168 Rho 0.3192723E+03 3,-3 47 3 -3 -3.923382 3.825241 -0.231407 Rho 0.3186444E+03 3,-3 48 3 -3 -3.781337 -3.802595 0.222865 Rho 0.3192733E+03 3,-3 49 3 -3 -3.827954 0.152160 -3.759730 Rho 0.3192762E+03 3,-3 50 3 -3 -3.822291 -0.246697 3.857039 Rho 0.3191441E+03 3,-3 51 3 -3 3.737441 0.240608 3.765068 Rho 0.3192830E+03 3,-3 52 3 -3 3.893984 -0.192718 -3.802183 Rho 0.3191300E+03 3,-3 53 3 -3 -0.014432 0.018203 -0.029890 Rho 0.4276083E+05 3,-3 54 3 -3 -3.810686 4.427893 -0.991317 Rho 0.4645461E+00 3,-3 55 3 +3 0.004654 2.342730 -0.050362 Rho 0.4673317E-02 |GRAD(Rho)| 0.4374819E-15 GRAD(Rho)x -0.2468143E-15 GRAD(Rho)y 0.2764847E-15 GRAD(Rho)z 0.2324421E-15 Laplacian 0.1900113E-01 (-1/4)Del**2(Rho)) -0.4750282E-02 Diamond 0.1758092E-03 Metallicity 0.4737427E+00 Ellipticity -0.3572627E+00 Gb(Abramov) 0.3541923E-02 Vb(Abramov) -0.2333565E-02 Hb(Abramov) 0.1208359E-02 Ex_ueg -0.5770570E-03 Ec_ueg -0.1328815E-03 Delta_ex -0.7000274E-03 Delta_ec 0.1831922E-03 Delta_et -0.1143885E-02 Pxc 0.4342644E+01 Qxc -0.3821274E+01 3,+3 56 3 +1 -2.185042 -1.214021 -1.283260 Rho 0.2768306E-01 |GRAD(Rho)| 0.8382197E-17 GRAD(Rho)x -0.3185471E-17 GRAD(Rho)y -0.6680162E-17 GRAD(Rho)z 0.3935662E-17 Laplacian 0.1128177E+00 (-1/4)Del**2(Rho)) -0.2820443E-01 Diamond 0.1853578E-01 Metallicity 0.1547365E+01 Ellipticity -0.7865521E+01 Gb(Abramov) 0.2607671E-01 Vb(Abramov) -0.2394899E-01 Hb(Abramov) 0.2127720E-02 Ex_ueg -0.6184964E-02 Ec_ueg -0.1224728E-02 Delta_ex -0.7358525E-02 Delta_ec 0.2177868E-02 Delta_et -0.1966464E-01 Pxc 0.5050071E+01 Qxc -0.3378775E+01 3,+1 57 3 +3 -1.104025 1.098661 -1.204523 Rho 0.5240159E-02 |GRAD(Rho)| 0.3426507E-15 GRAD(Rho)x -0.3311503E-15 GRAD(Rho)y -0.8264077E-16 GRAD(Rho)z 0.3032317E-16 Laplacian 0.1957921E-01 (-1/4)Del**2(Rho)) -0.4894802E-02 Diamond 0.1387786E-03 Metallicity 0.5564065E+00 Ellipticity -0.1279568E+00 Gb(Abramov) 0.3717118E-02 Vb(Abramov) -0.2539434E-02 Hb(Abramov) 0.1177684E-02 Ex_ueg -0.6722193E-03 Ec_ueg -0.1572624E-03 Delta_ex -0.6791986E-03 Delta_ec 0.7530084E-04 Delta_et -0.6323744E-03 Pxc 0.4274507E+01 Qxc -0.9019801E+01 3,+3 58 3 +1 -2.946742 0.123535 0.197863 Rho 0.5464250E-02 |GRAD(Rho)| 0.8950706E-17 GRAD(Rho)x -0.3846219E-17 GRAD(Rho)y -0.7634440E-17 GRAD(Rho)z 0.2652746E-17 Laplacian 0.2144218E-01 (-1/4)Del**2(Rho)) -0.5360545E-02 Diamond 0.5119636E-03 Metallicity 0.5447893E+00 Ellipticity -0.2658064E+01 Gb(Abramov) 0.4060424E-02 Vb(Abramov) -0.2760304E-02 Hb(Abramov) 0.1300120E-02 Ex_ueg -0.7108192E-03 Ec_ueg -0.1669458E-03 Delta_ex -0.1042163E-02 Delta_ec 0.5993804E-03 Delta_et -0.3373343E-02 Pxc 0.4257785E+01 Qxc -0.1738733E+01 3,+1 59 3 +1 -1.676236 0.509931 -0.560536 Rho 0.9283636E-02 |GRAD(Rho)| 0.5079769E-17 GRAD(Rho)x -0.2564048E-17 GRAD(Rho)y 0.9328778E-18 GRAD(Rho)z -0.4284792E-17 Laplacian 0.3582755E-01 (-1/4)Del**2(Rho)) -0.8956888E-02 Diamond 0.1030144E-02 Metallicity 0.7887261E+00 Ellipticity -0.1452666E+01 Gb(Abramov) 0.7148681E-02 Vb(Abramov) -0.5340473E-02 Hb(Abramov) 0.1808207E-02 Ex_ueg -0.1441040E-02 Ec_ueg -0.3356707E-03 Delta_ex -0.1654999E-02 Delta_ec 0.4794112E-03 Delta_et -0.3361272E-02 Pxc 0.4293015E+01 Qxc -0.3452150E+01 3,+1 60 3 -1 -1.742804 -1.750749 -0.550853 Rho 0.4326989E-01 |GRAD(Rho)| 0.9895509E-16 GRAD(Rho)x 0.7832132E-16 GRAD(Rho)y -0.5385478E-16 GRAD(Rho)z 0.2752349E-16 Laplacian 0.1747711E+00 (-1/4)Del**2(Rho)) -0.4369277E-01 Diamond 0.7178031E-01 Metallicity 0.2102745E+01 Ellipticity 0.2060646E-01 Gb(Abramov) 0.4444097E-01 Vb(Abramov) -0.4518917E-01 Hb(Abramov) -0.7482017E-03 Ex_ueg -0.1121931E-01 Ec_ueg -0.2046382E-02 Delta_ex -0.1382160E-01 Delta_ec 0.5118904E-02 Delta_et -0.5194061E-01 Pxc 0.5482508E+01 Qxc -0.2700110E+01 3,-1 61 3 -1 -3.015647 -2.034488 -0.859663 Rho 0.1496212E+00 |GRAD(Rho)| 0.5273671E-15 GRAD(Rho)x 0.2221259E-16 GRAD(Rho)y -0.1777956E-15 GRAD(Rho)z 0.4959954E-15 Laplacian 0.5815218E+00 (-1/4)Del**2(Rho)) -0.1453804E+00 Diamond 0.1177258E+01 Metallicity 0.4996921E+01 Ellipticity 0.4525948E-01 Gb(Abramov) 0.2179961E+00 Vb(Abramov) -0.2906117E+00 Hb(Abramov) -0.7261562E-01 Ex_ueg -0.5866458E-01 Ec_ueg -0.8419271E-02 Delta_ex -0.6243493E-01 Delta_ec 0.1480625E-01 Delta_et -0.1971285E+00 Pxc 0.6967893E+01 Qxc -0.4216796E+01 3,-1 62 3 -1 -3.226646 -3.244409 0.064497 Rho 0.2383734E+00 |GRAD(Rho)| 0.2270362E-12 GRAD(Rho)x 0.1608733E-12 GRAD(Rho)y 0.1511939E-12 GRAD(Rho)z -0.5296799E-13 Laplacian 0.8692672E+00 (-1/4)Del**2(Rho)) -0.2173168E+00 Diamond 0.3048148E+01 Metallicity 0.7264786E+01 Ellipticity 0.5623725E-02 Gb(Abramov) 0.4080045E+00 Vb(Abramov) -0.5986923E+00 Hb(Abramov) -0.1906877E+00 Ex_ueg -0.1091596E+00 Ec_ueg -0.1432674E-01 Delta_ex -0.1048327E+00 Delta_ec 0.1923060E-01 Delta_et -0.2662661E+00 Pxc 0.7619292E+01 Qxc -0.5451349E+01 3,-1 63 3 +1 -0.539643 1.666363 -0.597632 Rho 0.8969671E-02 |GRAD(Rho)| 0.1606080E-14 GRAD(Rho)x 0.7870703E-15 GRAD(Rho)y -0.1120869E-14 GRAD(Rho)z 0.8388489E-15 Laplacian 0.3393213E-01 (-1/4)Del**2(Rho)) -0.8483033E-02 Diamond 0.9462238E-03 Metallicity 0.7863748E+00 Ellipticity -0.1480700E+01 Gb(Abramov) 0.6767163E-02 Vb(Abramov) -0.5051292E-02 Hb(Abramov) 0.1715871E-02 Ex_ueg -0.1376429E-02 Ec_ueg -0.3215504E-03 Delta_ex -0.1560198E-02 Delta_ec 0.4657151E-03 Delta_et -0.3227158E-02 Pxc 0.4280600E+01 Qxc -0.3350113E+01 3,+1 64 3 +1 -1.440228 1.052565 2.180353 Rho 0.2492633E-01 |GRAD(Rho)| 0.1760733E-12 GRAD(Rho)x -0.1090920E-12 GRAD(Rho)y -0.1316259E-12 GRAD(Rho)z -0.4213524E-13 Laplacian 0.9469865E-01 (-1/4)Del**2(Rho)) -0.2367466E-01 Diamond 0.1105209E-01 Metallicity 0.1547747E+01 Ellipticity -0.2583633E+01 Gb(Abramov) 0.2189017E-01 Vb(Abramov) -0.2010568E-01 Hb(Abramov) 0.1784489E-02 Ex_ueg -0.5377696E-02 Ec_ueg -0.1085006E-02 Delta_ex -0.5745187E-02 Delta_ec 0.1357157E-02 Delta_et -0.1202969E-01 Pxc 0.4956375E+01 Qxc -0.4233250E+01 3,+1 65 3 +1 -1.781804 1.725319 -1.795331 Rho 0.1165659E-01 |GRAD(Rho)| 0.7596618E-17 GRAD(Rho)x -0.6607733E-17 GRAD(Rho)y -0.3337122E-17 GRAD(Rho)z 0.1705896E-17 Laplacian 0.5528898E-01 (-1/4)Del**2(Rho)) -0.1382224E-01 Diamond 0.2038859E-02 Metallicity 0.7468966E+00 Ellipticity -0.1257278E+01 Gb(Abramov) 0.1093546E-01 Vb(Abramov) -0.8048678E-02 Hb(Abramov) 0.2886784E-02 Ex_ueg -0.1952003E-02 Ec_ueg -0.4437393E-03 Delta_ex -0.2669916E-02 Delta_ec 0.6693203E-03 Delta_et -0.5020928E-02 Pxc 0.4398986E+01 Qxc -0.3988997E+01 3,+1 66 3 -1 -3.073579 0.862058 2.030870 Rho 0.1273308E+00 |GRAD(Rho)| 0.4193764E-14 GRAD(Rho)x 0.2236452E-14 GRAD(Rho)y -0.2723733E-14 GRAD(Rho)z 0.2273152E-14 Laplacian 0.5192509E+00 (-1/4)Del**2(Rho)) -0.1298127E+00 Diamond 0.8826467E+00 Metallicity 0.4276860E+01 Ellipticity 0.1283009E-01 Gb(Abramov) 0.1790736E+00 Vb(Abramov) -0.2283345E+00 Hb(Abramov) -0.4926090E-01 Ex_ueg -0.4731110E-01 Ec_ueg -0.7008570E-02 Delta_ex -0.5381310E-01 Delta_ec 0.1411645E-01 Delta_et -0.1840128E+00 Pxc 0.6750463E+01 Qxc -0.3812085E+01 3,-1 67 3 +1 -0.586159 -0.500874 1.675150 Rho 0.7951974E-02 |GRAD(Rho)| 0.1532100E-10 GRAD(Rho)x -0.2372017E-11 GRAD(Rho)y 0.1278890E-10 GRAD(Rho)z -0.8096344E-11 Laplacian 0.3052056E-01 (-1/4)Del**2(Rho)) -0.7630140E-02 Diamond 0.7404009E-03 Metallicity 0.7152847E+00 Ellipticity -0.1440941E+01 Gb(Abramov) 0.5996381E-02 Vb(Abramov) -0.4362621E-02 Hb(Abramov) 0.1633760E-02 Ex_ueg -0.1172245E-02 Ec_ueg -0.2760796E-03 Delta_ex -0.1370167E-02 Delta_ec 0.4351004E-03 Delta_et -0.2909760E-02 Pxc 0.4246040E+01 Qxc -0.3149083E+01 3,+1 68 3 +3 -1.115974 -1.109976 1.116441 Rho 0.4858186E-02 |GRAD(Rho)| 0.5625434E-12 GRAD(Rho)x -0.1157074E-13 GRAD(Rho)y 0.5624003E-12 GRAD(Rho)z 0.5200872E-14 Laplacian 0.1852907E-01 (-1/4)Del**2(Rho)) -0.4632267E-02 Diamond 0.1265777E-03 Metallicity 0.5182626E+00 Ellipticity -0.2173486E+00 Gb(Abramov) 0.3488299E-02 Vb(Abramov) -0.2344332E-02 Hb(Abramov) 0.1143967E-02 Ex_ueg -0.6076925E-03 Ec_ueg -0.1408151E-03 Delta_ex -0.6371837E-03 Delta_ec 0.8538199E-04 Delta_et -0.6616991E-03 Pxc 0.4315536E+01 Qxc -0.7462742E+01 3,+3 69 3 -1 -1.750886 1.707802 0.512465 Rho 0.5602644E-01 |GRAD(Rho)| 0.4482689E-15 GRAD(Rho)x 0.3805329E-15 GRAD(Rho)y -0.2000692E-15 GRAD(Rho)z 0.1269330E-15 Laplacian 0.2428568E+00 (-1/4)Del**2(Rho)) -0.6071421E-01 Diamond 0.1524904E+00 Metallicity 0.2327651E+01 Ellipticity 0.2253991E-01 Gb(Abramov) 0.6402972E-01 Vb(Abramov) -0.6734523E-01 Hb(Abramov) -0.3315513E-02 Ex_ueg -0.1583346E-01 Ec_ueg -0.2750605E-02 Delta_ex -0.2089885E-01 Delta_ec 0.7810505E-02 Delta_et -0.8504620E-01 Pxc 0.5756355E+01 Qxc -0.2675736E+01 3,-1 70 3 -1 -2.798930 1.734505 -0.575186 Rho 0.1319236E+00 |GRAD(Rho)| 0.2769037E-15 GRAD(Rho)x -0.8887070E-16 GRAD(Rho)y -0.2387142E-15 GRAD(Rho)z 0.1085964E-15 Laplacian 0.5586319E+00 (-1/4)Del**2(Rho)) -0.1396580E+00 Diamond 0.9931250E+00 Metallicity 0.4217206E+01 Ellipticity 0.1950884E-01 Gb(Abramov) 0.1912664E+00 Vb(Abramov) -0.2428748E+00 Hb(Abramov) -0.5160842E-01 Ex_ueg -0.4960000E-01 Ec_ueg -0.7296610E-02 Delta_ex -0.5841401E-01 Delta_ec 0.1510792E-01 Delta_et -0.1982057E+00 Pxc 0.6797676E+01 Qxc -0.3866449E+01 3,-1 71 3 -1 -3.041109 1.974551 0.866364 Rho 0.1325396E+00 |GRAD(Rho)| 0.8485545E-15 GRAD(Rho)x 0.2569017E-15 GRAD(Rho)y -0.6068415E-15 GRAD(Rho)z 0.5345930E-15 Laplacian 0.5438105E+00 (-1/4)Del**2(Rho)) -0.1359526E+00 Diamond 0.9590545E+00 Metallicity 0.4365915E+01 Ellipticity 0.4601643E-02 Gb(Abramov) 0.1895613E+00 Vb(Abramov) -0.2431701E+00 Hb(Abramov) -0.5360872E-01 Ex_ueg -0.4990907E-01 Ec_ueg -0.7335353E-02 Delta_ex -0.5677332E-01 Delta_ec 0.1441510E-01 Delta_et -0.1887507E+00 Pxc 0.6803908E+01 Qxc -0.3938462E+01 3,-1 72 3 +1 0.539959 -1.712396 -0.573469 Rho 0.7649786E-02 |GRAD(Rho)| 0.1847513E-12 GRAD(Rho)x 0.1038485E-12 GRAD(Rho)y 0.1059664E-12 GRAD(Rho)z -0.1100892E-12 Laplacian 0.2885914E-01 (-1/4)Del**2(Rho)) -0.7214786E-02 Diamond 0.6575812E-03 Metallicity 0.7091616E+00 Ellipticity -0.1433341E+01 Gb(Abramov) 0.5662599E-02 Vb(Abramov) -0.4110412E-02 Hb(Abramov) 0.1552187E-02 Ex_ueg -0.1113228E-02 Ec_ueg -0.2626676E-03 Delta_ex -0.1279622E-02 Delta_ec 0.4052438E-03 Delta_et -0.2688085E-02 Pxc 0.4238163E+01 Qxc -0.3157659E+01 3,+1 73 3 -1 -1.992546 2.983776 0.869836 Rho 0.1136025E+00 |GRAD(Rho)| 0.3645751E-14 GRAD(Rho)x -0.7559803E-15 GRAD(Rho)y -0.2383469E-14 GRAD(Rho)z -0.2653124E-14 Laplacian 0.4574870E+00 (-1/4)Del**2(Rho)) -0.1143717E+00 Diamond 0.6820472E+00 Metallicity 0.4013723E+01 Ellipticity 0.1718159E-01 Gb(Abramov) 0.1527572E+00 Vb(Abramov) -0.1911427E+00 Hb(Abramov) -0.3838550E-01 Ex_ueg -0.4063517E-01 Ec_ueg -0.6156164E-02 Delta_ex -0.4620641E-01 Delta_ec 0.1287401E-01 Delta_et -0.1645725E+00 Pxc 0.6600729E+01 Qxc -0.3589123E+01 3,-1 74 3 -1 -3.261824 3.207286 -0.098782 Rho 0.1417824E+00 |GRAD(Rho)| 0.1680238E-15 GRAD(Rho)x -0.4391019E-17 GRAD(Rho)y -0.1669942E-15 GRAD(Rho)z 0.1804519E-16 Laplacian 0.5658595E+00 (-1/4)Del**2(Rho)) -0.1414649E+00 Diamond 0.1114603E+01 Metallicity 0.4694704E+01 Ellipticity 0.1118473E+00 Gb(Abramov) 0.2049992E+00 Vb(Abramov) -0.2685336E+00 Hb(Abramov) -0.6353434E-01 Ex_ueg -0.5460277E-01 Ec_ueg -0.7919561E-02 Delta_ex -0.6039623E-01 Delta_ec 0.1538086E-01 Delta_et -0.2048441E+00 Pxc 0.6894672E+01 Qxc -0.3926714E+01 3,-1 75 3 -1 -2.798373 -1.862457 0.562355 Rho 0.1493847E+00 |GRAD(Rho)| 0.7438240E-15 GRAD(Rho)x -0.1176834E-15 GRAD(Rho)y 0.6551292E-15 GRAD(Rho)z 0.3320098E-15 Laplacian 0.6259626E+00 (-1/4)Del**2(Rho)) -0.1564907E+00 Diamond 0.1251454E+01 Metallicity 0.4629934E+01 Ellipticity 0.9532868E-02 Gb(Abramov) 0.2250840E+00 Vb(Abramov) -0.2936773E+00 Hb(Abramov) -0.6859334E-01 Ex_ueg -0.5854094E-01 Ec_ueg -0.8404135E-02 Delta_ex -0.6704632E-01 Delta_ec 0.1570499E-01 Delta_et -0.2085012E+00 Pxc 0.6965731E+01 Qxc -0.4269111E+01 3,-1 76 3 +1 -2.952364 -0.218674 -0.149147 Rho 0.5483891E-02 |GRAD(Rho)| 0.7389257E-17 GRAD(Rho)x -0.2368145E-17 GRAD(Rho)y 0.5692645E-17 GRAD(Rho)z 0.4072690E-17 Laplacian 0.2232160E-01 (-1/4)Del**2(Rho)) -0.5580401E-02 Diamond 0.5677897E-03 Metallicity 0.5264645E+00 Ellipticity -0.3009154E+01 Gb(Abramov) 0.4209914E-02 Vb(Abramov) -0.2839428E-02 Hb(Abramov) 0.1370486E-02 Ex_ueg -0.7142279E-03 Ec_ueg -0.1677957E-03 Delta_ex -0.1112172E-02 Delta_ec 0.6712305E-03 Delta_et -0.3760446E-02 Pxc 0.4256533E+01 Qxc -0.1656916E+01 3,+1 77 3 +1 -1.686729 -0.541102 0.539423 Rho 0.8219262E-02 |GRAD(Rho)| 0.2530863E-16 GRAD(Rho)x 0.2406584E-16 GRAD(Rho)y -0.3580215E-17 GRAD(Rho)z -0.6967377E-17 Laplacian 0.3134287E-01 (-1/4)Del**2(Rho)) -0.7835718E-02 Diamond 0.7989184E-03 Metallicity 0.7359739E+00 Ellipticity -0.1467919E+01 Gb(Abramov) 0.6184959E-02 Vb(Abramov) -0.4534201E-02 Hb(Abramov) 0.1650759E-02 Ex_ueg -0.1225074E-02 Ec_ueg -0.2879772E-03 Delta_ex -0.1420521E-02 Delta_ec 0.4498691E-03 Delta_et -0.3031924E-02 Pxc 0.4254065E+01 Qxc -0.3157631E+01 3,+1 78 3 +1 -1.751584 -1.791863 1.778153 Rho 0.1198138E-01 |GRAD(Rho)| 0.3302039E-16 GRAD(Rho)x -0.2495356E-16 GRAD(Rho)y 0.2149182E-16 GRAD(Rho)z -0.2401544E-17 Laplacian 0.5858827E-01 (-1/4)Del**2(Rho)) -0.1464707E-01 Diamond 0.2287852E-02 Metallicity 0.7378710E+00 Ellipticity -0.1256522E+01 Gb(Abramov) 0.1156599E-01 Vb(Abramov) -0.8484905E-02 Hb(Abramov) 0.3081082E-02 Ex_ueg -0.2024856E-02 Ec_ueg -0.4587094E-03 Delta_ex -0.2862825E-02 Delta_ec 0.7321455E-03 Delta_et -0.5509575E-02 Pxc 0.4414245E+01 Qxc -0.3910186E+01 3,+1 79 3 +3 -2.331907 -0.056200 0.012450 Rho 0.4665935E-02 |GRAD(Rho)| 0.7327538E-15 GRAD(Rho)x 0.5325722E-15 GRAD(Rho)y 0.4710771E-15 GRAD(Rho)z 0.1771478E-15 Laplacian 0.1900527E-01 (-1/4)Del**2(Rho)) -0.4751317E-02 Diamond 0.1655033E-03 Metallicity 0.4723932E+00 Ellipticity -0.2780230E+00 Gb(Abramov) 0.3541626E-02 Vb(Abramov) -0.2331936E-02 Hb(Abramov) 0.1209691E-02 Ex_ueg -0.5758420E-03 Ec_ueg -0.1325651E-03 Delta_ex -0.6897493E-03 Delta_ec 0.1651116E-03 Delta_et -0.1054687E-02 Pxc 0.4343844E+01 Qxc -0.4177474E+01 3,+3 80 3 -1 -2.008318 -3.045884 -0.831028 Rho 0.1556335E+00 |GRAD(Rho)| 0.4698450E-15 GRAD(Rho)x 0.3829402E-15 GRAD(Rho)y -0.4933120E-17 GRAD(Rho)z -0.2721890E-15 Laplacian 0.6125168E+00 (-1/4)Del**2(Rho)) -0.1531292E+00 Diamond 0.1291278E+01 Metallicity 0.5066022E+01 Ellipticity 0.3036370E-01 Gb(Abramov) 0.2313788E+00 Vb(Abramov) -0.3096284E+00 Hb(Abramov) -0.7824960E-01 Ex_ueg -0.6182858E-01 Ec_ueg -0.8805111E-02 Delta_ex -0.6632018E-01 Delta_ec 0.1529375E-01 Delta_et -0.2043579E+00 Pxc 0.7021897E+01 Qxc -0.4336423E+01 3,-1 81 3 -1 -2.024805 -0.896094 -3.041387 Rho 0.1546033E+00 |GRAD(Rho)| 0.1737617E-14 GRAD(Rho)x 0.3595485E-15 GRAD(Rho)y 0.1684552E-14 GRAD(Rho)z -0.2287396E-15 Laplacian 0.6042711E+00 (-1/4)Del**2(Rho)) -0.1510678E+00 Diamond 0.1265746E+01 Metallicity 0.5078623E+01 Ellipticity 0.3400232E-01 Gb(Abramov) 0.2285812E+00 Vb(Abramov) -0.3060947E+00 Hb(Abramov) -0.7751344E-01 Ex_ueg -0.6128348E-01 Ec_ueg -0.8738840E-02 Delta_ex -0.6533890E-01 Delta_ec 0.1514681E-01 Delta_et -0.2022994E+00 Pxc 0.7012770E+01 Qxc -0.4313708E+01 3,-1 82 3 -1 -3.000872 -0.895536 -2.013422 Rho 0.1221324E+00 |GRAD(Rho)| 0.4852942E-15 GRAD(Rho)x 0.6506568E-16 GRAD(Rho)y 0.3979429E-15 GRAD(Rho)z -0.2700341E-15 Laplacian 0.4795302E+00 (-1/4)Del**2(Rho)) -0.1198825E+00 Diamond 0.7589569E+00 Metallicity 0.4320317E+01 Ellipticity 0.2743420E-01 Gb(Abramov) 0.1662435E+00 Vb(Abramov) -0.2126044E+00 Hb(Abramov) -0.4636093E-01 Ex_ueg -0.4475344E-01 Ec_ueg -0.6684262E-02 Delta_ex -0.4899168E-01 Delta_ec 0.1278169E-01 Delta_et -0.1647793E+00 Pxc 0.6695346E+01 Qxc -0.3832959E+01 3,-1 83 3 +1 -0.121284 -3.014758 -0.147783 Rho 0.5070113E-02 |GRAD(Rho)| 0.7368644E-16 GRAD(Rho)x -0.4121868E-16 GRAD(Rho)y -0.1029549E-16 GRAD(Rho)z -0.6020560E-16 Laplacian 0.2026636E-01 (-1/4)Del**2(Rho)) -0.5066589E-02 Diamond 0.4583413E-03 Metallicity 0.5087841E+00 Ellipticity -0.2593530E+01 Gb(Abramov) 0.3807359E-02 Vb(Abramov) -0.2548130E-02 Hb(Abramov) 0.1259230E-02 Ex_ueg -0.6432926E-03 Ec_ueg -0.1499313E-03 Delta_ex -0.9891879E-03 Delta_ec 0.6004133E-03 Delta_et -0.3289653E-02 Pxc 0.4290583E+01 Qxc -0.1647512E+01 3,+1 84 3 +1 1.684925 -0.521059 -0.562072 Rho 0.8154832E-02 |GRAD(Rho)| 0.3279642E-12 GRAD(Rho)x 0.1436035E-12 GRAD(Rho)y 0.2830625E-12 GRAD(Rho)z 0.8254785E-13 Laplacian 0.3104937E-01 (-1/4)Del**2(Rho)) -0.7762343E-02 Diamond 0.7820400E-03 Metallicity 0.7332500E+00 Ellipticity -0.1464650E+01 Gb(Abramov) 0.6123518E-02 Vb(Abramov) -0.4484694E-02 Hb(Abramov) 0.1638825E-02 Ex_ueg -0.1212286E-02 Ec_ueg -0.2851063E-03 Delta_ex -0.1403975E-02 Delta_ec 0.4448256E-03 Delta_et -0.2992495E-02 Pxc 0.4252049E+01 Qxc -0.3156237E+01 3,+1 85 3 -1 -2.817991 -0.604946 1.831019 Rho 0.1184664E+00 |GRAD(Rho)| 0.2388455E-15 GRAD(Rho)x 0.3063888E-16 GRAD(Rho)y -0.9452888E-16 GRAD(Rho)z -0.2171928E-15 Laplacian 0.5094833E+00 (-1/4)Del**2(Rho)) -0.1273708E+00 Diamond 0.8033136E+00 Metallicity 0.3864931E+01 Ellipticity 0.2111658E-01 Gb(Abramov) 0.1669605E+00 Vb(Abramov) -0.2065501E+00 Hb(Abramov) -0.3958965E-01 Ex_ueg -0.4297131E-01 Ec_ueg -0.6456665E-02 Delta_ex -0.5202908E-01 Delta_ec 0.1430970E-01 Delta_et -0.1845241E+00 Pxc 0.6655342E+01 Qxc -0.3635930E+01 3,-1 86 3 -1 -1.731256 -0.550949 -1.767530 Rho 0.4641618E-01 |GRAD(Rho)| 0.1302250E-14 GRAD(Rho)x -0.8703437E-15 GRAD(Rho)y 0.4175718E-15 GRAD(Rho)z -0.8740660E-15 Laplacian 0.1878212E+00 (-1/4)Del**2(Rho)) -0.4695531E-01 Diamond 0.8551570E-01 Metallicity 0.2199467E+01 Ellipticity 0.1844726E-01 Gb(Abramov) 0.4851632E-01 Vb(Abramov) -0.5007732E-01 Hb(Abramov) -0.1561005E-02 Ex_ueg -0.1232001E-01 Ec_ueg -0.2217752E-02 Delta_ex -0.1514829E-01 Delta_ec 0.5553530E-02 Delta_et -0.5741790E-01 Pxc 0.5555176E+01 Qxc -0.2727686E+01 3,-1 87 3 +1 0.090626 0.059428 -2.992950 Rho 0.4488802E-02 |GRAD(Rho)| 0.4770126E-13 GRAD(Rho)x 0.9185223E-14 GRAD(Rho)y -0.4610668E-13 GRAD(Rho)z 0.8075643E-14 Laplacian 0.1708227E-01 (-1/4)Del**2(Rho)) -0.4270569E-02 Diamond 0.3454754E-03 Metallicity 0.4927405E+00 Ellipticity -0.4190402E+01 Gb(Abramov) 0.3197759E-02 Vb(Abramov) -0.2124950E-02 Hb(Abramov) 0.1072809E-02 Ex_ueg -0.5468804E-03 Ec_ueg -0.1249806E-03 Delta_ex -0.8328911E-03 Delta_ec 0.5395583E-03 Delta_et -0.2836090E-02 Pxc 0.4375721E+01 Qxc -0.1543654E+01 3,+1 88 3 +1 -1.027678 -1.471756 -2.198399 Rho 0.2567765E-01 |GRAD(Rho)| 0.6802793E-16 GRAD(Rho)x -0.2414692E-17 GRAD(Rho)y -0.1661274E-16 GRAD(Rho)z -0.6592409E-16 Laplacian 0.9895948E-01 (-1/4)Del**2(Rho)) -0.2473987E-01 Diamond 0.1175359E-01 Metallicity 0.1556256E+01 Ellipticity -0.2410697E+01 Gb(Abramov) 0.2291018E-01 Vb(Abramov) -0.2108048E-01 Hb(Abramov) 0.1829694E-02 Ex_ueg -0.5594896E-02 Ec_ueg -0.1122893E-02 Delta_ex -0.6023398E-02 Delta_ec 0.1365914E-02 Delta_et -0.1220281E-01 Pxc 0.4982573E+01 Qxc -0.4409794E+01 3,+1 89 3 -1 -1.825327 -0.590197 2.823690 Rho 0.1095620E+00 |GRAD(Rho)| 0.1259000E-15 GRAD(Rho)x -0.1097755E-15 GRAD(Rho)y 0.5397972E-16 GRAD(Rho)z -0.2977151E-16 Laplacian 0.4770698E+00 (-1/4)Del**2(Rho)) -0.1192675E+00 Diamond 0.6873816E+00 Metallicity 0.3623523E+01 Ellipticity 0.2209274E-01 Gb(Abramov) 0.1515397E+00 Vb(Abramov) -0.1838119E+00 Hb(Abramov) -0.3227224E-01 Ex_ueg -0.3871966E-01 Ec_ueg -0.5907836E-02 Delta_ex -0.4787566E-01 Delta_ec 0.1370999E-01 Delta_et -0.1742921E+00 Pxc 0.6553950E+01 Qxc -0.3492027E+01 3,-1 90 3 +3 0.023142 -0.009000 -2.429986 Rho 0.4006561E-02 |GRAD(Rho)| 0.4990431E-16 GRAD(Rho)x 0.2009086E-16 GRAD(Rho)y 0.2697478E-16 GRAD(Rho)z 0.3686678E-16 Laplacian 0.1564122E-01 (-1/4)Del**2(Rho)) -0.3910305E-02 Diamond 0.1184529E-03 Metallicity 0.4452755E+00 Ellipticity -0.2175741E+00 Gb(Abramov) 0.2897064E-02 Vb(Abramov) -0.1883823E-02 Hb(Abramov) 0.1013241E-02 Ex_ueg -0.4699815E-03 Ec_ueg -0.1044148E-03 Delta_ex -0.5555067E-03 Delta_ec 0.1530078E-03 Delta_et -0.9171726E-03 Pxc 0.4501100E+01 Qxc -0.3630579E+01 3,+3 91 3 +1 -0.554379 -1.688479 0.514870 Rho 0.8166985E-02 |GRAD(Rho)| 0.8856444E-13 GRAD(Rho)x -0.2849566E-13 GRAD(Rho)y -0.7819003E-13 GRAD(Rho)z 0.3029812E-13 Laplacian 0.3166855E-01 (-1/4)Del**2(Rho)) -0.7917137E-02 Diamond 0.7892468E-03 Metallicity 0.7207002E+00 Ellipticity -0.1430262E+01 Gb(Abramov) 0.6229071E-02 Vb(Abramov) -0.4541006E-02 Hb(Abramov) 0.1688065E-02 Ex_ueg -0.1214696E-02 Ec_ueg -0.2856477E-03 Delta_ex -0.1427677E-02 Delta_ec 0.4450715E-03 Delta_et -0.3002293E-02 Pxc 0.4252426E+01 Qxc -0.3207749E+01 3,+1 92 3 +1 -0.210363 0.174912 2.968249 Rho 0.5453803E-02 |GRAD(Rho)| 0.3000334E-16 GRAD(Rho)x -0.2915966E-16 GRAD(Rho)y 0.6042613E-17 GRAD(Rho)z 0.3660785E-17 Laplacian 0.2202348E-01 (-1/4)Del**2(Rho)) -0.5505871E-02 Diamond 0.5141211E-03 Metallicity 0.5287207E+00 Ellipticity -0.2157746E+01 Gb(Abramov) 0.4155758E-02 Vb(Abramov) -0.2805646E-02 Hb(Abramov) 0.1350112E-02 Ex_ueg -0.7090078E-03 Ec_ueg -0.1664938E-03 Delta_ex -0.1061424E-02 Delta_ec 0.6003195E-03 Delta_et -0.3383615E-02 Pxc 0.4258464E+01 Qxc -0.1768099E+01 3,+1 93 3 +1 -0.551039 0.568622 -1.723152 Rho 0.8096605E-02 |GRAD(Rho)| 0.9676452E-17 GRAD(Rho)x -0.7604716E-17 GRAD(Rho)y -0.5470885E-17 GRAD(Rho)z -0.2423103E-17 Laplacian 0.3045918E-01 (-1/4)Del**2(Rho)) -0.7614795E-02 Diamond 0.7524533E-03 Metallicity 0.7385840E+00 Ellipticity -0.1464019E+01 Gb(Abramov) 0.6013891E-02 Vb(Abramov) -0.4412987E-02 Hb(Abramov) 0.1600904E-02 Ex_ueg -0.1200758E-02 Ec_ueg -0.2825134E-03 Delta_ex -0.1371261E-02 Delta_ec 0.4300289E-03 Delta_et -0.2892734E-02 Pxc 0.4250271E+01 Qxc -0.3188764E+01 3,+1 94 3 +3 1.113659 -1.142972 -1.143987 Rho 0.4735046E-02 |GRAD(Rho)| 0.9461609E-17 GRAD(Rho)x 0.8649379E-17 GRAD(Rho)y -0.3832642E-17 GRAD(Rho)z -0.1453853E-18 Laplacian 0.1740131E-01 (-1/4)Del**2(Rho)) -0.4350328E-02 Diamond 0.1112908E-03 Metallicity 0.5287352E+00 Ellipticity -0.1730331E+00 Gb(Abramov) 0.3283580E-02 Vb(Abramov) -0.2216833E-02 Hb(Abramov) 0.1066747E-02 Ex_ueg -0.5872423E-03 Ec_ueg -0.1355286E-03 Delta_ex -0.5907033E-03 Delta_ec 0.7398162E-04 Delta_et -0.5879693E-03 Pxc 0.4332976E+01 Qxc -0.7984459E+01 3,+3 95 3 -1 -0.560342 -1.832334 2.805831 Rho 0.1613630E+00 |GRAD(Rho)| 0.3951024E-15 GRAD(Rho)x 0.3439902E-15 GRAD(Rho)y 0.1871062E-15 GRAD(Rho)z -0.5261091E-16 Laplacian 0.6677523E+00 (-1/4)Del**2(Rho)) -0.1669381E+00 Diamond 0.1466193E+01 Metallicity 0.4935575E+01 Ellipticity 0.7290755E-02 Gb(Abramov) 0.2486146E+00 Vb(Abramov) -0.3302911E+00 Hb(Abramov) -0.8167654E-01 Ex_ueg -0.6488192E-01 Ec_ueg -0.9174834E-02 Delta_ex -0.7291565E-01 Delta_ec 0.1645640E-01 Delta_et -0.2207437E+00 Pxc 0.7071727E+01 Qxc -0.4430840E+01 3,-1 96 3 -1 -0.482113 -0.463782 -0.498098 Rho 0.1857287E+00 |GRAD(Rho)| 0.1974189E-13 GRAD(Rho)x 0.1162959E-13 GRAD(Rho)y 0.1111264E-13 GRAD(Rho)z 0.1144571E-13 Laplacian 0.5035769E+00 (-1/4)Del**2(Rho)) -0.1258942E+00 Diamond 0.1344142E+01 Metallicity 0.8273308E+01 Ellipticity 0.4189591E-02 Gb(Abramov) 0.2575231E+00 Vb(Abramov) -0.3891520E+00 Hb(Abramov) -0.1316289E+00 Ex_ueg -0.7826313E-01 Ec_ueg -0.1076870E-01 Delta_ex -0.5722575E-01 Delta_ec 0.1243062E-01 Delta_et -0.1708041E+00 Pxc 0.7267649E+01 Qxc -0.4603611E+01 3,-1 97 3 +1 0.569350 -0.564857 -1.719828 Rho 0.7736674E-02 |GRAD(Rho)| 0.1377348E-16 GRAD(Rho)x 0.1142930E-16 GRAD(Rho)y 0.1957740E-17 GRAD(Rho)z -0.7432846E-17 Laplacian 0.2846670E-01 (-1/4)Del**2(Rho)) -0.7116676E-02 Diamond 0.6537712E-03 Metallicity 0.7325992E+00 Ellipticity -0.1458620E+01 Gb(Abramov) 0.5613396E-02 Vb(Abramov) -0.4110116E-02 Hb(Abramov) 0.1503280E-02 Ex_ueg -0.1130119E-02 Ec_ueg -0.2665196E-03 Delta_ex -0.1263250E-02 Delta_ec 0.3951814E-03 Delta_et -0.2632831E-02 Pxc 0.4240283E+01 Qxc -0.3196632E+01 3,+1 98 3 +3 -0.070691 0.028792 2.291846 Rho 0.4525784E-02 |GRAD(Rho)| 0.1225394E-15 GRAD(Rho)x -0.6506906E-16 GRAD(Rho)y 0.6867004E-16 GRAD(Rho)z 0.7788671E-16 Laplacian 0.1831152E-01 (-1/4)Del**2(Rho)) -0.4577880E-02 Diamond 0.1469551E-03 Metallicity 0.4659920E+00 Ellipticity -0.3421285E+00 Gb(Abramov) 0.3407463E-02 Vb(Abramov) -0.2237045E-02 Hb(Abramov) 0.1170418E-02 Ex_ueg -0.5528961E-03 Ec_ueg -0.1265628E-03 Delta_ex -0.6529671E-03 Delta_ec 0.1476554E-03 Delta_et -0.9533485E-03 Pxc 0.4368552E+01 Qxc -0.4422236E+01 3,+3 99 3 +1 -1.267978 2.199034 1.213373 Rho 0.2883493E-01 |GRAD(Rho)| 0.1323032E-13 GRAD(Rho)x -0.3839163E-14 GRAD(Rho)y 0.1221802E-13 GRAD(Rho)z 0.3319974E-14 Laplacian 0.1128049E+00 (-1/4)Del**2(Rho)) -0.2820122E-01 Diamond 0.1926425E-01 Metallicity 0.1656343E+01 Ellipticity -0.1480612E+02 Gb(Abramov) 0.2658596E-01 Vb(Abramov) -0.2497070E-01 Hb(Abramov) 0.1615259E-02 Ex_ueg -0.6530458E-02 Ec_ueg -0.1283670E-02 Delta_ex -0.7406953E-02 Delta_ec 0.2123544E-02 Delta_et -0.1937690E-01 Pxc 0.5087335E+01 Qxc -0.3488015E+01 3,+1 100 3 +1 0.514344 1.656085 0.516273 Rho 0.9038473E-02 |GRAD(Rho)| 0.5236113E-14 GRAD(Rho)x -0.2716764E-15 GRAD(Rho)y -0.3170325E-14 GRAD(Rho)z -0.4158379E-14 Laplacian 0.3502746E-01 (-1/4)Del**2(Rho)) -0.8756866E-02 Diamond 0.1018907E-02 Metallicity 0.7715480E+00 Ellipticity -0.1493654E+01 Gb(Abramov) 0.6963967E-02 Vb(Abramov) -0.5171069E-02 Hb(Abramov) 0.1792898E-02 Ex_ueg -0.1390524E-02 Ec_ueg -0.3246410E-03 Delta_ex -0.1627159E-02 Delta_ec 0.5047673E-03 Delta_et -0.3484891E-02 Pxc 0.4283266E+01 Qxc -0.3223582E+01 3,+1 101 3 -1 -0.497329 0.491237 0.440167 Rho 0.1806632E+00 |GRAD(Rho)| 0.5400871E-15 GRAD(Rho)x 0.8326673E-16 GRAD(Rho)y -0.4024558E-15 GRAD(Rho)z -0.3504141E-15 Laplacian 0.4835700E+00 (-1/4)Del**2(Rho)) -0.1208925E+00 Diamond 0.1251390E+01 Metallicity 0.8227540E+01 Ellipticity 0.6927987E-02 Gb(Abramov) 0.2463696E+00 Vb(Abramov) -0.3718468E+00 Hb(Abramov) -0.1254771E+00 Ex_ueg -0.7543010E-01 Ec_ueg -0.1043452E-01 Delta_ex -0.5459403E-01 Delta_ec 0.1206238E-01 Delta_et -0.1653551E+00 Pxc 0.7228902E+01 Qxc -0.4525974E+01 3,-1 102 3 +1 0.487911 0.562511 1.652515 Rho 0.8483494E-02 |GRAD(Rho)| 0.1107277E-16 GRAD(Rho)x -0.6331116E-17 GRAD(Rho)y -0.8186200E-17 GRAD(Rho)z -0.3938200E-17 Laplacian 0.3301345E-01 (-1/4)Del**2(Rho)) -0.8253363E-02 Diamond 0.8692031E-03 Metallicity 0.7365691E+00 Ellipticity -0.1444538E+01 Gb(Abramov) 0.6515438E-02 Vb(Abramov) -0.4777512E-02 Hb(Abramov) 0.1737926E-02 Ex_ueg -0.1277864E-02 Ec_ueg -0.2997704E-03 Delta_ex -0.1503901E-02 Delta_ec 0.4661838E-03 Delta_et -0.3173855E-02 Pxc 0.4262811E+01 Qxc -0.3225983E+01 3,+1 103 3 -1 -0.572354 1.749196 1.722971 Rho 0.4420793E-01 |GRAD(Rho)| 0.4754743E-16 GRAD(Rho)x -0.3545892E-17 GRAD(Rho)y 0.2114533E-16 GRAD(Rho)z 0.4243889E-16 Laplacian 0.1794015E+00 (-1/4)Del**2(Rho)) -0.4485038E-01 Diamond 0.7598107E-01 Metallicity 0.2123020E+01 Ellipticity 0.1483717E-01 Gb(Abramov) 0.4576996E-01 Vb(Abramov) -0.4668954E-01 Hb(Abramov) -0.9195823E-03 Ex_ueg -0.1154477E-01 Ec_ueg -0.2097304E-02 Delta_ex -0.1427017E-01 Delta_ec 0.5264450E-02 Delta_et -0.5372408E-01 Pxc 0.5504577E+01 Qxc -0.2710666E+01 3,-1 104 3 -1 -0.056352 -3.223358 3.208776 Rho 0.2384502E+00 |GRAD(Rho)| 0.9928062E-15 GRAD(Rho)x -0.2745606E-15 GRAD(Rho)y -0.7518942E-15 GRAD(Rho)z 0.5873123E-15 Laplacian 0.8720545E+00 (-1/4)Del**2(Rho)) -0.2180136E+00 Diamond 0.3056535E+01 Metallicity 0.7245454E+01 Ellipticity 0.3257533E-02 Gb(Abramov) 0.4086104E+00 Vb(Abramov) -0.5992071E+00 Hb(Abramov) -0.1905967E+00 Ex_ueg -0.1092065E+00 Ec_ueg -0.1433204E-01 Delta_ex -0.1051639E+00 Delta_ec 0.1926577E-01 Delta_et -0.2666481E+00 Pxc 0.7619745E+01 Qxc -0.5458588E+01 3,-1 105 3 -1 0.616781 -2.865610 -1.817966 Rho 0.1105316E+00 |GRAD(Rho)| 0.7348426E-16 GRAD(Rho)x -0.1763184E-16 GRAD(Rho)y 0.5300393E-16 GRAD(Rho)z 0.4774555E-16 Laplacian 0.4781456E+00 (-1/4)Del**2(Rho)) -0.1195364E+00 Diamond 0.6963470E+00 Metallicity 0.3668853E+01 Ellipticity 0.2099669E-01 Gb(Abramov) 0.1527845E+00 Vb(Abramov) -0.1860326E+00 Hb(Abramov) -0.3324811E-01 Ex_ueg -0.3917721E-01 Ec_ueg -0.5967318E-02 Delta_ex -0.4808320E-01 Delta_ec 0.1371579E-01 Delta_et -0.1746677E+00 Pxc 0.6565296E+01 Qxc -0.3505681E+01 3,-1 106 3 -1 0.066286 -3.304860 -3.249125 Rho 0.2157232E+00 |GRAD(Rho)| 0.8066520E-15 GRAD(Rho)x -0.7436272E-16 GRAD(Rho)y 0.5689893E-15 GRAD(Rho)z 0.5669293E-15 Laplacian 0.8036755E+00 (-1/4)Del**2(Rho)) -0.2009189E+00 Diamond 0.2497617E+01 Metallicity 0.6653146E+01 Ellipticity 0.4035476E-02 Gb(Abramov) 0.3567364E+00 Vb(Abramov) -0.5125539E+00 Hb(Abramov) -0.1558175E+00 Ex_ueg -0.9555368E-01 Ec_ueg -0.1277709E-01 Delta_ex -0.9443393E-01 Delta_ec 0.1828295E-01 Delta_et -0.2518548E+00 Pxc 0.7478516E+01 Qxc -0.5165136E+01 3,-1 107 3 -1 -2.953254 -0.065829 0.006502 Rho 0.5512351E-02 |GRAD(Rho)| 0.3667872E-15 GRAD(Rho)x 0.1656451E-15 GRAD(Rho)y -0.3041574E-15 GRAD(Rho)z -0.1207593E-15 Laplacian 0.2159771E-01 (-1/4)Del**2(Rho)) -0.5399427E-02 Diamond 0.6446943E-03 Metallicity 0.5488247E+00 Ellipticity 0.3131203E+01 Gb(Abramov) 0.4093508E-02 Vb(Abramov) -0.2787589E-02 Hb(Abramov) 0.1305919E-02 Ex_ueg -0.7191744E-03 Ec_ueg -0.1690276E-03 Delta_ex -0.1151795E-02 Delta_ec 0.7826237E-03 Delta_et -0.4335580E-02 Pxc 0.4254776E+01 Qxc -0.1471710E+01 3,-1 108 3 -1 -0.846225 -3.057209 -1.984862 Rho 0.1098308E+00 |GRAD(Rho)| 0.6949698E-13 GRAD(Rho)x 0.5653439E-13 GRAD(Rho)y 0.1356500E-13 GRAD(Rho)z -0.3807470E-13 Laplacian 0.4551349E+00 (-1/4)Del**2(Rho)) -0.1137837E+00 Diamond 0.6535791E+00 Metallicity 0.3813702E+01 Ellipticity 0.5098130E-02 Gb(Abramov) 0.1481787E+00 Vb(Abramov) -0.1825737E+00 Hb(Abramov) -0.3439497E-01 Ex_ueg -0.3884640E-01 Ec_ueg -0.5924322E-02 Delta_ex -0.4563805E-01 Delta_ec 0.1296104E-01 Delta_et -0.1646983E+00 Pxc 0.6557104E+01 Qxc -0.3521171E+01 3,-1 109 3 -1 1.855803 -2.839935 -0.568320 Rho 0.1608662E+00 |GRAD(Rho)| 0.2394929E-15 GRAD(Rho)x 0.1820918E-15 GRAD(Rho)y -0.1246426E-15 GRAD(Rho)z -0.9307876E-16 Laplacian 0.6620623E+00 (-1/4)Del**2(Rho)) -0.1655156E+00 Diamond 0.1450072E+01 Metallicity 0.4952475E+01 Ellipticity 0.1056748E-01 Gb(Abramov) 0.2469623E+00 Vb(Abramov) -0.3284091E+00 Hb(Abramov) -0.8144678E-01 Ex_ueg -0.6461571E-01 Ec_ueg -0.9142697E-02 Delta_ex -0.7225476E-01 Delta_ec 0.1635730E-01 Delta_et -0.2194039E+00 Pxc 0.7067467E+01 Qxc -0.4417279E+01 3,-1 110 3 -1 -0.568133 -2.807195 1.814072 Rho 0.1472865E+00 |GRAD(Rho)| 0.3617516E-14 GRAD(Rho)x 0.2258976E-14 GRAD(Rho)y 0.6947703E-15 GRAD(Rho)z 0.2738749E-14 Laplacian 0.6137358E+00 (-1/4)Del**2(Rho)) -0.1534340E+00 Diamond 0.1209872E+01 Metallicity 0.4612148E+01 Ellipticity 0.1675243E-01 Gb(Abramov) 0.2202327E+00 Vb(Abramov) -0.2870314E+00 Hb(Abramov) -0.6679870E-01 Ex_ueg -0.5744721E-01 Ec_ueg -0.8270038E-02 Delta_ex -0.6554438E-01 Delta_ec 0.1551695E-01 Delta_et -0.2057494E+00 Pxc 0.6946427E+01 Qxc -0.4224051E+01 3,-1 111 3 +3 -0.001646 -2.350995 -0.040434 Rho 0.4231085E-02 |GRAD(Rho)| 0.3690731E-17 GRAD(Rho)x 0.6598303E-18 GRAD(Rho)y -0.3629014E-17 GRAD(Rho)z 0.1279807E-18 Laplacian 0.1705691E-01 (-1/4)Del**2(Rho)) -0.4264227E-02 Diamond 0.1294786E-03 Metallicity 0.4471629E+00 Ellipticity -0.3110923E+00 Gb(Abramov) 0.3160619E-02 Vb(Abramov) -0.2057011E-02 Hb(Abramov) 0.1103608E-02 Ex_ueg -0.5054220E-03 Ec_ueg -0.1139748E-03 Delta_ex -0.6029936E-03 Delta_ec 0.1469759E-03 Delta_et -0.9191949E-03 Pxc 0.4434505E+01 Qxc -0.4102669E+01 3,+3 112 3 -1 1.785689 0.565571 2.776985 Rho 0.1434374E+00 |GRAD(Rho)| 0.1597209E-15 GRAD(Rho)x 0.8776617E-16 GRAD(Rho)y 0.1302533E-15 GRAD(Rho)z 0.2901596E-16 Laplacian 0.6007511E+00 (-1/4)Del**2(Rho)) -0.1501878E+00 Diamond 0.1148997E+01 Metallicity 0.4508401E+01 Ellipticity 0.1214166E-01 Gb(Abramov) 0.2129763E+00 Vb(Abramov) -0.2757648E+00 Hb(Abramov) -0.6278852E-01 Ex_ueg -0.5545425E-01 Ec_ueg -0.8024744E-02 Delta_ex -0.6376146E-01 Delta_ec 0.1532232E-01 Delta_et -0.2024773E+00 Pxc 0.6910407E+01 Qxc -0.4161346E+01 3,-1 113 3 -1 -0.605048 1.810821 -2.865912 Rho 0.1082883E+00 |GRAD(Rho)| 0.5789425E-15 GRAD(Rho)x 0.4141246E-15 GRAD(Rho)y 0.3937416E-15 GRAD(Rho)z 0.9296695E-16 Laplacian 0.4674059E+00 (-1/4)Del**2(Rho)) -0.1168515E+00 Diamond 0.6640516E+00 Metallicity 0.3627059E+01 Ellipticity 0.2171547E-01 Gb(Abramov) 0.1485389E+00 Vb(Abramov) -0.1802262E+00 Hb(Abramov) -0.3168738E-01 Ex_ueg -0.3812065E-01 Ec_ueg -0.5829804E-02 Delta_ex -0.4677863E-01 Delta_ec 0.1346749E-01 Delta_et -0.1708177E+00 Pxc 0.6538924E+01 Qxc -0.3473449E+01 3,-1 114 3 -1 -0.588916 2.804503 -1.852539 Rho 0.1158685E+00 |GRAD(Rho)| 0.2666506E-15 GRAD(Rho)x 0.2066896E-15 GRAD(Rho)y 0.5351554E-16 GRAD(Rho)z -0.1597436E-15 Laplacian 0.4915166E+00 (-1/4)Del**2(Rho)) -0.1228792E+00 Diamond 0.7556773E+00 Metallicity 0.3860856E+01 Ellipticity 0.4393561E-02 Gb(Abramov) 0.1609892E+00 Vb(Abramov) -0.1990993E+00 Hb(Abramov) -0.3811008E-01 Ex_ueg -0.4171946E-01 Ec_ueg -0.6295951E-02 Delta_ex -0.4994848E-01 Delta_ec 0.1390219E-01 Delta_et -0.1785729E+00 Pxc 0.6626396E+01 Qxc -0.3592850E+01 3,-1 115 3 -1 0.512948 -1.726909 1.726332 Rho 0.4499522E-01 |GRAD(Rho)| 0.1622985E-15 GRAD(Rho)x 0.1267955E-15 GRAD(Rho)y 0.8397231E-16 GRAD(Rho)z -0.5667752E-16 Laplacian 0.1818581E+00 (-1/4)Del**2(Rho)) -0.4546452E-01 Diamond 0.7924151E-01 Metallicity 0.2156873E+01 Ellipticity 0.1542930E-01 Gb(Abramov) 0.4665321E-01 Vb(Abramov) -0.4784190E-01 Hb(Abramov) -0.1188690E-02 Ex_ueg -0.1181971E-01 Ec_ueg -0.2140155E-02 Delta_ex -0.1454699E-01 Delta_ec 0.5366756E-02 Delta_et -0.5503069E-01 Pxc 0.5522830E+01 Qxc -0.2710574E+01 3,-1 116 3 -1 -0.514039 -1.760144 -1.759746 Rho 0.3960354E-01 |GRAD(Rho)| 0.3232623E-14 GRAD(Rho)x -0.2731380E-14 GRAD(Rho)y 0.1082836E-14 GRAD(Rho)z -0.1347917E-14 Laplacian 0.1691721E+00 (-1/4)Del**2(Rho)) -0.4229303E-01 Diamond 0.6702824E-01 Metallicity 0.1874308E+01 Ellipticity 0.1346886E-01 Gb(Abramov) 0.4140705E-01 Vb(Abramov) -0.4052107E-01 Hb(Abramov) 0.8859808E-03 Ex_ueg -0.9970044E-02 Ec_ueg -0.1848819E-02 Delta_ex -0.1340611E-01 Delta_ec 0.5528031E-02 Delta_et -0.5484348E-01 Pxc 0.5392656E+01 Qxc -0.2425114E+01 3,-1 117 3 +3 1.088786 1.099079 1.111161 Rho 0.5207960E-02 |GRAD(Rho)| 0.5628113E-15 GRAD(Rho)x 0.1165037E-15 GRAD(Rho)y 0.5448744E-15 GRAD(Rho)z 0.7934323E-16 Laplacian 0.2034636E-01 (-1/4)Del**2(Rho)) -0.5086591E-02 Diamond 0.1515255E-03 Metallicity 0.5299552E+00 Ellipticity -0.1811481E+00 Gb(Abramov) 0.3840338E-02 Vb(Abramov) -0.2594085E-02 Hb(Abramov) 0.1246253E-02 Ex_ueg -0.6667176E-03 Ec_ueg -0.1558731E-03 Delta_ex -0.7120868E-03 Delta_ec 0.9163639E-04 Delta_et -0.7247270E-03 Pxc 0.4277310E+01 Qxc -0.7770786E+01 3,+3 118 3 +1 1.038097 2.208549 -1.442963 Rho 0.2557472E-01 |GRAD(Rho)| 0.1165051E-13 GRAD(Rho)x -0.7989329E-14 GRAD(Rho)y -0.6156205E-14 GRAD(Rho)z -0.5831478E-14 Laplacian 0.9821003E-01 (-1/4)Del**2(Rho)) -0.2455251E-01 Diamond 0.1172491E-01 Metallicity 0.1557670E+01 Ellipticity -0.2489913E+01 Gb(Abramov) 0.2274245E-01 Vb(Abramov) -0.2093240E-01 Hb(Abramov) 0.1810052E-02 Ex_ueg -0.5565013E-02 Ec_ueg -0.1117694E-02 Delta_ex -0.5984339E-02 Delta_ec 0.1379075E-02 Delta_et -0.1230310E-01 Pxc 0.4979015E+01 Qxc -0.4339386E+01 3,+1 119 3 -1 0.534688 2.767146 1.815050 Rho 0.1391017E+00 |GRAD(Rho)| 0.2455340E-15 GRAD(Rho)x -0.1264315E-15 GRAD(Rho)y 0.1874619E-15 GRAD(Rho)z -0.9570795E-16 Laplacian 0.5828767E+00 (-1/4)Del**2(Rho)) -0.1457192E+00 Diamond 0.1074076E+01 Metallicity 0.4414930E+01 Ellipticity 0.1093121E-01 Gb(Abramov) 0.2043694E+00 Vb(Abramov) -0.2630197E+00 Hb(Abramov) -0.5865026E-01 Ex_ueg -0.5323063E-01 Ec_ueg -0.7749557E-02 Delta_ex -0.6139831E-01 Delta_ec 0.1497111E-01 Delta_et -0.1969251E+00 Pxc 0.6868860E+01 Qxc -0.4101120E+01 3,-1 120 3 -1 0.066731 3.223444 3.212677 Rho 0.2391545E+00 |GRAD(Rho)| 0.4729310E-15 GRAD(Rho)x -0.1237075E-15 GRAD(Rho)y -0.3674361E-15 GRAD(Rho)z -0.2708337E-15 Laplacian 0.8729683E+00 (-1/4)Del**2(Rho)) -0.2182421E+00 Diamond 0.3072906E+01 Metallicity 0.7273539E+01 Ellipticity 0.1888384E-02 Gb(Abramov) 0.4100601E+00 Vb(Abramov) -0.6018781E+00 Hb(Abramov) -0.1918180E+00 Ex_ueg -0.1096369E+00 Ec_ueg -0.1438069E-01 Delta_ex -0.1053674E+00 Delta_ec 0.1929095E-01 Delta_et -0.2671200E+00 Pxc 0.7623894E+01 Qxc -0.5462012E+01 3,-1 121 3 +1 1.354282 1.134278 -2.224517 Rho 0.2545610E-01 |GRAD(Rho)| 0.2402784E-16 GRAD(Rho)x 0.1118307E-18 GRAD(Rho)y 0.7290516E-17 GRAD(Rho)z -0.2289482E-16 Laplacian 0.9600532E-01 (-1/4)Del**2(Rho)) -0.2400133E-01 Diamond 0.1341193E-01 Metallicity 0.1581142E+01 Ellipticity -0.7072951E+01 Gb(Abramov) 0.2232581E-01 Vb(Abramov) -0.2065028E-01 Hb(Abramov) 0.1675524E-02 Ex_ueg -0.5530625E-02 Ec_ueg -0.1111705E-02 Delta_ex -0.6057079E-02 Delta_ec 0.1731169E-02 Delta_et -0.1532664E-01 Pxc 0.4974901E+01 Qxc -0.3498837E+01 3,+1 122 3 -1 -0.079907 3.264333 -3.276263 Rho 0.2159276E+00 |GRAD(Rho)| 0.2277543E-14 GRAD(Rho)x 0.9218971E-15 GRAD(Rho)y 0.2047516E-14 GRAD(Rho)z -0.3807718E-15 Laplacian 0.8081261E+00 (-1/4)Del**2(Rho)) -0.2020315E+00 Diamond 0.2512172E+01 Metallicity 0.6626960E+01 Ellipticity 0.4416598E-02 Gb(Abramov) 0.3578302E+00 Vb(Abramov) -0.5136288E+00 Hb(Abramov) -0.1557986E+00 Ex_ueg -0.9567445E-01 Ec_ueg -0.1279095E-01 Delta_ex -0.9496700E-01 Delta_ec 0.1835587E-01 Delta_et -0.2527835E+00 Pxc 0.7479853E+01 Qxc -0.5173659E+01 3,-1 123 3 +1 0.155262 2.916650 -0.194782 Rho 0.5231635E-02 |GRAD(Rho)| 0.1379252E-17 GRAD(Rho)x 0.2519968E-18 GRAD(Rho)y 0.1355978E-17 GRAD(Rho)z -0.1254608E-19 Laplacian 0.2104853E-01 (-1/4)Del**2(Rho)) -0.5262133E-02 Diamond 0.4651419E-03 Metallicity 0.5161633E+00 Ellipticity -0.2160017E+01 Gb(Abramov) 0.3960776E-02 Vb(Abramov) -0.2659418E-02 Hb(Abramov) 0.1301358E-02 Ex_ueg -0.6707618E-03 Ec_ueg -0.1568946E-03 Delta_ex -0.1006314E-02 Delta_ec 0.5745807E-03 Delta_et -0.3198644E-02 Pxc 0.4275239E+01 Qxc -0.1751389E+01 3,+1 124 3 +1 1.732774 1.738735 1.760757 Rho 0.1255298E-01 |GRAD(Rho)| 0.3781613E-17 GRAD(Rho)x -0.3508778E-17 GRAD(Rho)y -0.1255695E-17 GRAD(Rho)z 0.6421102E-18 Laplacian 0.6302019E-01 (-1/4)Del**2(Rho)) -0.1575505E-01 Diamond 0.2639721E-02 Metallicity 0.7413868E+00 Ellipticity -0.1250025E+01 Gb(Abramov) 0.1245013E-01 Vb(Abramov) -0.9145210E-02 Hb(Abramov) 0.3304918E-02 Ex_ueg -0.2154670E-02 Ec_ueg -0.4851563E-03 Delta_ex -0.3122162E-02 Delta_ec 0.7954068E-03 Delta_et -0.6047098E-02 Pxc 0.4441188E+01 Qxc -0.3925239E+01 3,+1 125 3 +1 1.330638 -2.152807 1.121573 Rho 0.2776923E-01 |GRAD(Rho)| 0.1685867E-14 GRAD(Rho)x 0.1127012E-14 GRAD(Rho)y -0.1147839E-14 GRAD(Rho)z -0.5044386E-15 Laplacian 0.1121223E+00 (-1/4)Del**2(Rho)) -0.2803058E-01 Diamond 0.1808692E-01 Metallicity 0.1565048E+01 Ellipticity -0.6397297E+01 Gb(Abramov) 0.2599858E-01 Vb(Abramov) -0.2396659E-01 Hb(Abramov) 0.2031994E-02 Ex_ueg -0.6210647E-02 Ec_ueg -0.1229126E-02 Delta_ex -0.7280124E-02 Delta_ec 0.2094753E-02 Delta_et -0.1893834E-01 Pxc 0.5052895E+01 Qxc -0.3475409E+01 3,+1 126 3 +1 1.649046 0.556815 0.518683 Rho 0.8660422E-02 |GRAD(Rho)| 0.1115465E-14 GRAD(Rho)x 0.7529679E-15 GRAD(Rho)y 0.6888432E-15 GRAD(Rho)z 0.4503292E-15 Laplacian 0.3362766E-01 (-1/4)Del**2(Rho)) -0.8406916E-02 Diamond 0.9148412E-03 Metallicity 0.7484249E+00 Ellipticity -0.1461507E+01 Gb(Abramov) 0.6653268E-02 Vb(Abramov) -0.4899620E-02 Hb(Abramov) 0.1753648E-02 Ex_ueg -0.1313521E-02 Ec_ueg -0.3076844E-03 Delta_ex -0.1541778E-02 Delta_ec 0.4782117E-03 Delta_et -0.3270378E-02 Pxc 0.4269054E+01 Qxc -0.3224049E+01 3,+1 127 3 +3 1.919845 -1.906830 1.923958 Rho 0.1248557E-01 |GRAD(Rho)| 0.2676198E-13 GRAD(Rho)x -0.1560091E-13 GRAD(Rho)y 0.1519154E-13 GRAD(Rho)z -0.1555739E-13 Laplacian 0.5914920E-01 (-1/4)Del**2(Rho)) -0.1478730E-01 Diamond 0.1523726E-02 Metallicity 0.7828492E+00 Ellipticity -0.8300047E+00 Gb(Abramov) 0.1178757E-01 Vb(Abramov) -0.8787842E-02 Hb(Abramov) 0.2999729E-02 Ex_ueg -0.2139256E-02 Ec_ueg -0.4820307E-03 Delta_ex -0.2669755E-02 Delta_ec 0.2886992E-03 Delta_et -0.2546009E-02 Pxc 0.4438008E+01 Qxc -0.9247534E+01 3,+3 128 3 -1 0.525422 1.744475 -1.778893 Rho 0.4181541E-01 |GRAD(Rho)| 0.7675552E-14 GRAD(Rho)x -0.1381747E-14 GRAD(Rho)y 0.5452953E-14 GRAD(Rho)z -0.5222085E-14 Laplacian 0.1798966E+00 (-1/4)Del**2(Rho)) -0.4497415E-01 Diamond 0.7674838E-01 Metallicity 0.1929675E+01 Ellipticity 0.2094570E-01 Gb(Abramov) 0.4444702E-01 Vb(Abramov) -0.4391988E-01 Hb(Abramov) 0.5271332E-03 Ex_ueg -0.1071931E-01 Ec_ueg -0.1967724E-02 Delta_ex -0.1444620E-01 Delta_ec 0.5877737E-02 Delta_et -0.5918994E-01 Pxc 0.5447570E+01 Qxc -0.2457783E+01 3,-1 129 3 -1 0.461915 0.487739 -0.499887 Rho 0.1869312E+00 |GRAD(Rho)| 0.8087463E-14 GRAD(Rho)x 0.4714978E-14 GRAD(Rho)y 0.4406198E-14 GRAD(Rho)z -0.4874573E-14 Laplacian 0.5115328E+00 (-1/4)Del**2(Rho)) -0.1278832E+00 Diamond 0.1371861E+01 Metallicity 0.8232704E+01 Ellipticity 0.4468139E-02 Gb(Abramov) 0.2607262E+00 Vb(Abramov) -0.3935692E+00 Hb(Abramov) -0.1328430E+00 Ex_ueg -0.7893943E-01 Ec_ueg -0.1084824E-01 Delta_ex -0.5819350E-01 Delta_ec 0.1255069E-01 Delta_et -0.1724047E+00 Pxc 0.7276703E+01 Qxc -0.4636678E+01 3,-1 130 3 +1 2.019850 -2.004463 2.026741 Rho 0.1255458E-01 |GRAD(Rho)| 0.1528580E-13 GRAD(Rho)x -0.8875444E-14 GRAD(Rho)y 0.8962954E-14 GRAD(Rho)z -0.8634093E-14 Laplacian 0.6014089E-01 (-1/4)Del**2(Rho)) -0.1503522E-01 Diamond 0.2032953E-02 Metallicity 0.7770464E+00 Ellipticity -0.1111588E+01 Gb(Abramov) 0.1197066E-01 Vb(Abramov) -0.8906096E-02 Hb(Abramov) 0.3064563E-02 Ex_ueg -0.2155037E-02 Ec_ueg -0.4852305E-03 Delta_ex -0.2847219E-02 Delta_ec 0.5226830E-03 Delta_et -0.4156030E-02 Pxc 0.4441264E+01 Qxc -0.5447315E+01 3,+1 131 3 +1 2.159427 -1.339356 1.103625 Rho 0.2714638E-01 |GRAD(Rho)| 0.4040440E-16 GRAD(Rho)x -0.3721808E-16 GRAD(Rho)y 0.8143135E-17 GRAD(Rho)z -0.1345433E-16 Laplacian 0.1072186E+00 (-1/4)Del**2(Rho)) -0.2680465E-01 Diamond 0.1589930E-01 Metallicity 0.1575903E+01 Ellipticity -0.4305134E+01 Gb(Abramov) 0.2491002E-01 Vb(Abramov) -0.2301540E-01 Hb(Abramov) 0.1894629E-02 Ex_ueg -0.6025609E-02 Ec_ueg -0.1197377E-02 Delta_ex -0.6835827E-02 Delta_ec 0.1852773E-02 Delta_et -0.1667963E-01 Pxc 0.5032342E+01 Qxc -0.3689511E+01 3,+1 132 3 -1 0.859577 -2.983646 2.002951 Rho 0.1387478E+00 |GRAD(Rho)| 0.2768543E-15 GRAD(Rho)x 0.2069471E-15 GRAD(Rho)y 0.8361909E-16 GRAD(Rho)z -0.1637958E-15 Laplacian 0.5506409E+00 (-1/4)Del**2(Rho)) -0.1376602E+00 Diamond 0.1013477E+01 Metallicity 0.4653590E+01 Ellipticity 0.3973616E-01 Gb(Abramov) 0.1985425E+00 Vb(Abramov) -0.2594249E+00 Hb(Abramov) -0.6088231E-01 Ex_ueg -0.5305014E-01 Ec_ueg -0.7727149E-02 Delta_ex -0.5798776E-01 Delta_ec 0.1418948E-01 Delta_et -0.1866500E+00 Pxc 0.6865422E+01 Qxc -0.4086671E+01 3,-1 133 3 +1 2.962476 0.193918 -0.190750 Rho 0.5287005E-02 |GRAD(Rho)| 0.5955187E-16 GRAD(Rho)x -0.1003499E-16 GRAD(Rho)y 0.3983614E-16 GRAD(Rho)z -0.4311388E-16 Laplacian 0.2137853E-01 (-1/4)Del**2(Rho)) -0.5344633E-02 Diamond 0.4694698E-03 Metallicity 0.5171916E+00 Ellipticity -0.2001171E+01 Gb(Abramov) 0.4023789E-02 Vb(Abramov) -0.2702944E-02 Hb(Abramov) 0.1320845E-02 Ex_ueg -0.6802439E-03 Ec_ueg -0.1592846E-03 Delta_ex -0.1015921E-02 Delta_ec 0.5686493E-03 Delta_et -0.3182403E-02 Pxc 0.4270619E+01 Qxc -0.1786550E+01 3,+1 134 3 -1 0.533427 1.808717 2.787896 Rho 0.1315411E+00 |GRAD(Rho)| 0.2244043E-15 GRAD(Rho)x 0.6022743E-16 GRAD(Rho)y -0.2154581E-15 GRAD(Rho)z 0.1754375E-16 Laplacian 0.5478716E+00 (-1/4)Del**2(Rho)) -0.1369679E+00 Diamond 0.9485564E+00 Metallicity 0.4279272E+01 Ellipticity 0.1085013E-01 Gb(Abramov) 0.1889991E+00 Vb(Abramov) -0.2410303E+00 Hb(Abramov) -0.5203119E-01 Ex_ueg -0.4940833E-01 Ec_ueg -0.7272567E-02 Delta_ex -0.5698733E-01 Delta_ec 0.1435995E-01 Delta_et -0.1874435E+00 Pxc 0.6793795E+01 Qxc -0.3968490E+01 3,-1 135 3 -1 0.874286 2.028114 -3.083023 Rho 0.1289282E+00 |GRAD(Rho)| 0.6130102E-16 GRAD(Rho)x 0.1784868E-16 GRAD(Rho)y -0.5770666E-16 GRAD(Rho)z 0.1044900E-16 Laplacian 0.5248734E+00 (-1/4)Del**2(Rho)) -0.1312183E+00 Diamond 0.9034769E+00 Metallicity 0.4319880E+01 Ellipticity 0.1009876E-01 Gb(Abramov) 0.1819535E+00 Vb(Abramov) -0.2326886E+00 Hb(Abramov) -0.5073514E-01 Ex_ueg -0.4810411E-01 Ec_ueg -0.7108592E-02 Delta_ex -0.5453139E-01 Delta_ec 0.1417982E-01 Delta_et -0.1851469E+00 Pxc 0.6767038E+01 Qxc -0.3845703E+01 3,-1 136 3 -1 0.863625 3.045331 -2.016872 Rho 0.1081780E+00 |GRAD(Rho)| 0.2050917E-13 GRAD(Rho)x 0.1941768E-13 GRAD(Rho)y 0.8926101E-15 GRAD(Rho)z -0.6540856E-14 Laplacian 0.4427963E+00 (-1/4)Del**2(Rho)) -0.1106991E+00 Diamond 0.6266565E+00 Metallicity 0.3822144E+01 Ellipticity 0.3974017E-02 Gb(Abramov) 0.1443174E+00 Vb(Abramov) -0.1779356E+00 Hb(Abramov) -0.3361828E-01 Ex_ueg -0.3806888E-01 Ec_ueg -0.5823051E-02 Delta_ex -0.4427960E-01 Delta_ec 0.1271564E-01 Delta_et -0.1611886E+00 Pxc 0.6537617E+01 Qxc -0.3482296E+01 3,-1 137 3 +1 1.801242 -1.807881 -1.772846 Rho 0.1134180E-01 |GRAD(Rho)| 0.2045866E-14 GRAD(Rho)x 0.1184237E-14 GRAD(Rho)y -0.5758115E-15 GRAD(Rho)z 0.1565755E-14 Laplacian 0.5330682E-01 (-1/4)Del**2(Rho)) -0.1332671E-01 Diamond 0.1901624E-02 Metallicity 0.7401167E+00 Ellipticity -0.1262649E+01 Gb(Abramov) 0.1052836E-01 Vb(Abramov) -0.7730007E-02 Hb(Abramov) 0.2798349E-02 Ex_ueg -0.1882034E-02 Ec_ueg -0.4292700E-03 Delta_ex -0.2558147E-02 Delta_ec 0.6499607E-03 Delta_et -0.4839847E-02 Pxc 0.4384268E+01 Qxc -0.3935848E+01 3,+1 138 3 -1 0.846145 -1.990368 2.997814 Rho 0.1336455E+00 |GRAD(Rho)| 0.8671697E-16 GRAD(Rho)x -0.2942254E-16 GRAD(Rho)y 0.6700369E-16 GRAD(Rho)z 0.4652583E-16 Laplacian 0.5214526E+00 (-1/4)Del**2(Rho)) -0.1303632E+00 Diamond 0.9218814E+00 Metallicity 0.4616601E+01 Ellipticity 0.3222379E-01 Gb(Abramov) 0.1872146E+00 Vb(Abramov) -0.2440660E+00 Hb(Abramov) -0.5685140E-01 Ex_ueg -0.5046508E-01 Ec_ueg -0.7404962E-02 Delta_ex -0.5446739E-01 Delta_ec 0.1365045E-01 Delta_et -0.1787013E+00 Pxc 0.6815035E+01 Qxc -0.3990154E+01 3,-1 139 3 -1 1.732485 -1.728110 0.513958 Rho 0.4159186E-01 |GRAD(Rho)| 0.2892996E-16 GRAD(Rho)x 0.1355973E-16 GRAD(Rho)y -0.1499248E-16 GRAD(Rho)z 0.2069545E-16 Laplacian 0.1658561E+00 (-1/4)Del**2(Rho)) -0.4146401E-01 Diamond 0.6446023E-01 Metallicity 0.2074415E+01 Ellipticity 0.1815842E-01 Gb(Abramov) 0.4197827E-01 Vb(Abramov) -0.4249253E-01 Hb(Abramov) -0.5142581E-03 Ex_ueg -0.1064297E-01 Ec_ueg -0.1955666E-02 Delta_ex -0.1298262E-01 Delta_ec 0.4850147E-02 Delta_et -0.4869669E-01 Pxc 0.5442120E+01 Qxc -0.2676748E+01 3,-1 140 3 +1 1.168438 -1.262326 2.171278 Rho 0.2784426E-01 |GRAD(Rho)| 0.3125817E-16 GRAD(Rho)x -0.2608236E-17 GRAD(Rho)y -0.2101611E-16 GRAD(Rho)z -0.2299116E-16 Laplacian 0.1127718E+00 (-1/4)Del**2(Rho)) -0.2819296E-01 Diamond 0.1841406E-01 Metallicity 0.1563047E+01 Ellipticity -0.6908306E+01 Gb(Abramov) 0.2613979E-01 Vb(Abramov) -0.2408663E-01 Hb(Abramov) 0.2053164E-02 Ex_ueg -0.6233032E-02 Ec_ueg -0.1232958E-02 Delta_ex -0.7342090E-02 Delta_ec 0.2132878E-02 Delta_et -0.1929239E-01 Pxc 0.5055350E+01 Qxc -0.3442340E+01 3,+1 141 3 +3 2.312912 0.021059 -0.034526 Rho 0.4508158E-02 |GRAD(Rho)| 0.4918307E-16 GRAD(Rho)x -0.3686667E-16 GRAD(Rho)y 0.2215918E-16 GRAD(Rho)z -0.2384939E-16 Laplacian 0.1829853E-01 (-1/4)Del**2(Rho)) -0.4574633E-02 Diamond 0.1524483E-03 Metallicity 0.4632998E+00 Ellipticity -0.3791365E+00 Gb(Abramov) 0.3402993E-02 Vb(Abramov) -0.2231353E-02 Hb(Abramov) 0.1171640E-02 Ex_ueg -0.5500268E-03 Ec_ueg -0.1258086E-03 Delta_ex -0.6586377E-03 Delta_ec 0.1596827E-03 Delta_et -0.1010730E-02 Pxc 0.4371933E+01 Qxc -0.4124666E+01 3,+3 142 3 -1 1.710473 -0.518538 1.720078 Rho 0.4659548E-01 |GRAD(Rho)| 0.2658138E-16 GRAD(Rho)x -0.1361817E-16 GRAD(Rho)y 0.9923203E-17 GRAD(Rho)z -0.2055834E-16 Laplacian 0.1886632E+00 (-1/4)Del**2(Rho)) -0.4716581E-01 Diamond 0.8633079E-01 Metallicity 0.2203766E+01 Ellipticity 0.1044387E-01 Gb(Abramov) 0.4876761E-01 Vb(Abramov) -0.5036940E-01 Hb(Abramov) -0.1601798E-02 Ex_ueg -0.1238350E-01 Ec_ueg -0.2227567E-02 Delta_ex -0.1522999E-01 Delta_ec 0.5576601E-02 Delta_et -0.5771464E-01 Pxc 0.5559205E+01 Qxc -0.2731052E+01 3,-1 143 3 -1 1.856020 -0.604501 -2.867781 Rho 0.1307078E+00 |GRAD(Rho)| 0.1459672E-15 GRAD(Rho)x 0.1311885E-15 GRAD(Rho)y 0.5098461E-16 GRAD(Rho)z 0.3868569E-16 Laplacian 0.5523633E+00 (-1/4)Del**2(Rho)) -0.1380908E+00 Diamond 0.9735148E+00 Metallicity 0.4199759E+01 Ellipticity 0.2242197E-01 Gb(Abramov) 0.1887186E+00 Vb(Abramov) -0.2393463E+00 Hb(Abramov) -0.5062776E-01 Ex_ueg -0.4899148E-01 Ec_ueg -0.7220228E-02 Delta_ex -0.5765919E-01 Delta_ec 0.1502230E-01 Delta_et -0.1968701E+00 Pxc 0.6785310E+01 Qxc -0.3838240E+01 3,-1 144 3 -1 1.735183 0.535862 -1.780419 Rho 0.4022889E-01 |GRAD(Rho)| 0.2796734E-16 GRAD(Rho)x 0.2193349E-16 GRAD(Rho)y 0.1712023E-16 GRAD(Rho)z 0.2826972E-17 Laplacian 0.1728396E+00 (-1/4)Del**2(Rho)) -0.4320990E-01 Diamond 0.7001190E-01 Metallicity 0.1883071E+01 Ellipticity 0.1814544E-01 Gb(Abramov) 0.4236782E-01 Vb(Abramov) -0.4152574E-01 Hb(Abramov) 0.8420818E-03 Ex_ueg -0.1018050E-01 Ec_ueg -0.1882347E-02 Delta_ex -0.1375226E-01 Delta_ec 0.5653324E-02 Delta_et -0.5632954E-01 Pxc 0.5408409E+01 Qxc -0.2432597E+01 3,-1 145 3 +1 2.189249 1.029932 -1.460647 Rho 0.2536328E-01 |GRAD(Rho)| 0.1624476E-16 GRAD(Rho)x -0.1830700E-17 GRAD(Rho)y -0.7964710E-17 GRAD(Rho)z 0.1403938E-16 Laplacian 0.9722770E-01 (-1/4)Del**2(Rho)) -0.2430693E-01 Diamond 0.1105008E-01 Metallicity 0.1551788E+01 Ellipticity -0.2267985E+01 Gb(Abramov) 0.2249115E-01 Vb(Abramov) -0.2067537E-01 Hb(Abramov) 0.1815777E-02 Ex_ueg -0.5503754E-02 Ec_ueg -0.1107022E-02 Delta_ex -0.5865703E-02 Delta_ec 0.1284424E-02 Delta_et -0.1145889E-01 Pxc 0.4971674E+01 Qxc -0.4566797E+01 3,+1 146 3 -1 1.722088 1.749633 -0.565788 Rho 0.4631750E-01 |GRAD(Rho)| 0.1515972E-12 GRAD(Rho)x -0.4391941E-13 GRAD(Rho)y -0.1172167E-12 GRAD(Rho)z -0.8551637E-13 Laplacian 0.1887553E+00 (-1/4)Del**2(Rho)) -0.4718884E-01 Diamond 0.8551348E-01 Metallicity 0.2180833E+01 Ellipticity 0.1775123E-01 Gb(Abramov) 0.4861105E-01 Vb(Abramov) -0.5003327E-01 Hb(Abramov) -0.1422218E-02 Ex_ueg -0.1228510E-01 Ec_ueg -0.2212353E-02 Delta_ex -0.1520695E-01 Delta_ec 0.5565966E-02 Delta_et -0.5751079E-01 Pxc 0.5552954E+01 Qxc -0.2732131E+01 3,-1 147 3 -1 1.791460 2.773045 0.546659 Rho 0.1319834E+00 |GRAD(Rho)| 0.1057310E-15 GRAD(Rho)x -0.6770843E-16 GRAD(Rho)y 0.2275469E-16 GRAD(Rho)z -0.7795414E-16 Laplacian 0.5541233E+00 (-1/4)Del**2(Rho)) -0.1385308E+00 Diamond 0.9607225E+00 Metallicity 0.4254733E+01 Ellipticity 0.9829983E-02 Gb(Abramov) 0.1905892E+00 Vb(Abramov) -0.2426475E+00 Hb(Abramov) -0.5205835E-01 Ex_ueg -0.4962999E-01 Ec_ueg -0.7300372E-02 Delta_ex -0.5765440E-01 Delta_ec 0.1445865E-01 Delta_et -0.1887314E+00 Pxc 0.6798283E+01 Qxc -0.3987538E+01 3,-1 148 3 -1 1.998444 3.049645 -0.861388 Rho 0.1598028E+00 |GRAD(Rho)| 0.3504813E-15 GRAD(Rho)x 0.2844811E-15 GRAD(Rho)y 0.2047109E-15 GRAD(Rho)z 0.1029992E-17 Laplacian 0.6214110E+00 (-1/4)Del**2(Rho)) -0.1553528E+00 Diamond 0.1354650E+01 Metallicity 0.5218452E+01 Ellipticity 0.3942771E-01 Gb(Abramov) 0.2386853E+00 Vb(Abramov) -0.3220179E+00 Hb(Abramov) -0.8333255E-01 Ex_ueg -0.6404684E-01 Ec_ueg -0.9073961E-02 Delta_ex -0.6774700E-01 Delta_ec 0.1545099E-01 Delta_et -0.2072596E+00 Pxc 0.7058311E+01 Qxc -0.4384637E+01 3,-1 149 3 -1 1.982054 -0.844458 2.992661 Rho 0.1388835E+00 |GRAD(Rho)| 0.1859360E-15 GRAD(Rho)x 0.8262976E-16 GRAD(Rho)y -0.1594590E-15 GRAD(Rho)z 0.4813858E-16 Laplacian 0.5468118E+00 (-1/4)Del**2(Rho)) -0.1367029E+00 Diamond 0.1008458E+01 Metallicity 0.4693821E+01 Ellipticity 0.4333296E-01 Gb(Abramov) 0.1980785E+00 Vb(Abramov) -0.2594540E+00 Hb(Abramov) -0.6137554E-01 Ex_ueg -0.5311934E-01 Ec_ueg -0.7735742E-02 Delta_ex -0.5760755E-01 Delta_ec 0.1410412E-01 Delta_et -0.1855890E+00 Pxc 0.6866741E+01 Qxc -0.4084449E+01 3,-1 150 3 -1 2.824037 -1.823929 -0.559112 Rho 0.1667181E+00 |GRAD(Rho)| 0.1025958E-13 GRAD(Rho)x -0.1634055E-14 GRAD(Rho)y -0.7864125E-14 GRAD(Rho)z 0.6383132E-14 Laplacian 0.6863345E+00 (-1/4)Del**2(Rho)) -0.1715836E+00 Diamond 0.1563828E+01 Metallicity 0.5070476E+01 Ellipticity 0.1018477E-01 Gb(Abramov) 0.2593909E+00 Vb(Abramov) -0.3471981E+00 Hb(Abramov) -0.8780724E-01 Ex_ueg -0.6776865E-01 Ec_ueg -0.9522169E-02 Delta_ex -0.7552740E-01 Delta_ec 0.1672028E-01 Delta_et -0.2250213E+00 Pxc 0.7116935E+01 Qxc -0.4517112E+01 3,-1 151 3 -1 3.001542 -1.987523 0.855408 Rho 0.1251462E+00 |GRAD(Rho)| 0.1451782E-13 GRAD(Rho)x -0.4706671E-14 GRAD(Rho)y 0.1204112E-13 GRAD(Rho)z 0.6604987E-14 Laplacian 0.4935734E+00 (-1/4)Del**2(Rho)) -0.1233934E+00 Diamond 0.8058257E+00 Metallicity 0.4371435E+01 Ellipticity 0.2508575E-01 Gb(Abramov) 0.1721633E+00 Vb(Abramov) -0.2209331E+00 Hb(Abramov) -0.4876990E-01 Ex_ueg -0.4623191E-01 Ec_ueg -0.6872055E-02 Delta_ex -0.5073956E-01 Delta_ec 0.1311268E-01 Delta_et -0.1698039E+00 Pxc 0.6727523E+01 Qxc -0.3869503E+01 3,-1 152 3 -1 2.764592 1.823609 0.549712 Rho 0.1231330E+00 |GRAD(Rho)| 0.2151908E-15 GRAD(Rho)x 0.1713039E-16 GRAD(Rho)y -0.2144145E-15 GRAD(Rho)z -0.6329030E-17 Laplacian 0.5130809E+00 (-1/4)Del**2(Rho)) -0.1282702E+00 Diamond 0.8216528E+00 Metallicity 0.4093089E+01 Ellipticity 0.1064097E-01 Gb(Abramov) 0.1730171E+00 Vb(Abramov) -0.2177639E+00 Hb(Abramov) -0.4474683E-01 Ex_ueg -0.4524294E-01 Ec_ueg -0.6746537E-02 Delta_ex -0.5254244E-01 Delta_ec 0.1368658E-01 Delta_et -0.1767545E+00 Pxc 0.6706098E+01 Qxc -0.3838974E+01 3,-1 153 3 -1 3.188454 3.234067 0.078745 Rho 0.2379916E+00 |GRAD(Rho)| 0.5233714E-15 GRAD(Rho)x 0.5219891E-15 GRAD(Rho)y 0.2970714E-16 GRAD(Rho)z 0.2371692E-16 Laplacian 0.8725667E+00 (-1/4)Del**2(Rho)) -0.2181417E+00 Diamond 0.3048910E+01 Metallicity 0.7218008E+01 Ellipticity 0.2256362E-02 Gb(Abramov) 0.4078525E+00 Vb(Abramov) -0.5975634E+00 Hb(Abramov) -0.1897108E+00 Ex_ueg -0.1089266E+00 Ec_ueg -0.1430039E-01 Delta_ex -0.1051602E+00 Delta_ec 0.1926554E-01 Delta_et -0.2665282E+00 Pxc 0.7617037E+01 Qxc -0.5458461E+01 3,-1 154 3 -1 2.823849 -0.577053 -1.826687 Rho 0.1016939E+00 |GRAD(Rho)| 0.1408197E-15 GRAD(Rho)x -0.5996993E-18 GRAD(Rho)y 0.8222996E-16 GRAD(Rho)z -0.1143156E-15 Laplacian 0.4427778E+00 (-1/4)Del**2(Rho)) -0.1106945E+00 Diamond 0.5844556E+00 Metallicity 0.3448144E+01 Ellipticity 0.2664047E-01 Gb(Abramov) 0.1374114E+00 Vb(Abramov) -0.1641283E+00 Hb(Abramov) -0.2671693E-01 Ex_ueg -0.3505728E-01 Ec_ueg -0.5427776E-02 Delta_ex -0.4369536E-01 Delta_ec 0.1297271E-01 Delta_et -0.1625275E+00 Pxc 0.6458867E+01 Qxc -0.3368251E+01 3,-1 155 3 -1 2.985838 -0.841859 2.001460 Rho 0.1474389E+00 |GRAD(Rho)| 0.3146029E-15 GRAD(Rho)x 0.7521653E-17 GRAD(Rho)y -0.1966878E-15 GRAD(Rho)z -0.2454227E-15 Laplacian 0.5806112E+00 (-1/4)Del**2(Rho)) -0.1451528E+00 Diamond 0.1150991E+01 Metallicity 0.4883688E+01 Ellipticity 0.4692589E-01 Gb(Abramov) 0.2149154E+00 Vb(Abramov) -0.2846780E+00 Hb(Abramov) -0.6976258E-01 Ex_ueg -0.5752649E-01 Ec_ueg -0.8279770E-02 Delta_ex -0.6207348E-01 Delta_ec 0.1476659E-01 Delta_et -0.1960345E+00 Pxc 0.6947837E+01 Qxc -0.4203642E+01 3,-1 156 3 -1 3.285578 -0.051507 -3.261232 Rho 0.2143979E+00 |GRAD(Rho)| 0.2989026E-12 GRAD(Rho)x -0.2197774E-12 GRAD(Rho)y 0.5095319E-13 GRAD(Rho)z 0.1960724E-12 Laplacian 0.7996357E+00 (-1/4)Del**2(Rho)) -0.1999089E+00 Diamond 0.2466622E+01 Metallicity 0.6618434E+01 Ellipticity 0.2203508E-02 Gb(Abramov) 0.3537866E+00 Vb(Abramov) -0.5076643E+00 Hb(Abramov) -0.1538777E+00 Ex_ueg -0.9477180E-01 Ec_ueg -0.1268730E-01 Delta_ex -0.9380946E-01 Delta_ec 0.1822173E-01 Delta_et -0.2509125E+00 Pxc 0.7469818E+01 Qxc -0.5148219E+01 3,-1 157 3 -1 3.186011 0.086185 3.203145 Rho 0.2389942E+00 |GRAD(Rho)| 0.3313576E-14 GRAD(Rho)x -0.2118314E-14 GRAD(Rho)y -0.6087524E-15 GRAD(Rho)z -0.2474258E-14 Laplacian 0.8765452E+00 (-1/4)Del**2(Rho)) -0.2191363E+00 Diamond 0.3078832E+01 Metallicity 0.7235767E+01 Ellipticity 0.1468311E-02 Gb(Abramov) 0.4103607E+00 Vb(Abramov) -0.6015851E+00 Hb(Abramov) -0.1912244E+00 Ex_ueg -0.1095389E+00 Ec_ueg -0.1436962E-01 Delta_ex -0.1057583E+00 Delta_ec 0.1933394E-01 Delta_et -0.2675336E+00 Pxc 0.7622951E+01 Qxc -0.5470084E+01 3,-1 158 3 -1 3.029556 0.878479 -2.002547 Rho 0.1017465E+00 |GRAD(Rho)| 0.3048004E-12 GRAD(Rho)x 0.1257026E-12 GRAD(Rho)y 0.2146331E-12 GRAD(Rho)z 0.1761669E-12 Laplacian 0.4217069E+00 (-1/4)Del**2(Rho)) -0.1054267E+00 Diamond 0.5538710E+00 Metallicity 0.3623557E+01 Ellipticity 0.4064852E-02 Gb(Abramov) 0.1339544E+00 Vb(Abramov) -0.1624822E+00 Hb(Abramov) -0.2852772E-01 Ex_ueg -0.3508147E-01 Ec_ueg -0.5430971E-02 Delta_ex -0.4156881E-01 Delta_ec 0.1226091E-01 Delta_et -0.1535149E+00 Pxc 0.6459521E+01 Qxc -0.3390353E+01 3,-1 159 3 +1 -2.212392 1.026454 1.442303 Rho 0.2635900E-01 |GRAD(Rho)| 0.1700645E-12 GRAD(Rho)x -0.3484060E-13 GRAD(Rho)y 0.1292142E-12 GRAD(Rho)z -0.1049369E-12 Laplacian 0.9976201E-01 (-1/4)Del**2(Rho)) -0.2494050E-01 Diamond 0.1182383E-01 Metallicity 0.1612611E+01 Ellipticity -0.2344713E+01 Gb(Abramov) 0.2333022E-01 Vb(Abramov) -0.2171994E-01 Hb(Abramov) 0.1610280E-02 Ex_ueg -0.5793713E-02 Ec_ueg -0.1157378E-02 Delta_ex -0.6069448E-02 Delta_ec 0.1293475E-02 Delta_et -0.1164316E-01 Pxc 0.5005894E+01 Qxc -0.4692357E+01 3,+1 160 3 -1 -3.833873 4.289950 -0.819336 Rho 0.3362834E+00 |GRAD(Rho)| 0.1023434E-14 GRAD(Rho)x 0.6639242E-15 GRAD(Rho)y -0.3731388E-15 GRAD(Rho)z -0.6836581E-15 Laplacian -0.1739727E+01 (-1/4)Del**2(Rho)) 0.4349317E+00 Diamond 0.6349745E+01 Metallicity -0.6441313E+01 Ellipticity 0.1494083E-02 Gb(Abramov) 0.1769674E+00 Vb(Abramov) -0.7888666E+00 Hb(Abramov) -0.6118992E+00 Ex_ueg -0.1727132E+00 Ec_ueg -0.2134990E-01 Delta_ex 0.1770017E+00 Delta_ec 0.6007676E-01 Delta_et -0.1457747E+01 Pxc 0.8089649E+01 Qxc 0.2946259E+01 3,-1 161 3 -1 -3.263594 -0.084609 3.272835 Rho 0.2163554E+00 |GRAD(Rho)| 0.1172418E-14 GRAD(Rho)x 0.8428588E-15 GRAD(Rho)y 0.2037216E-15 GRAD(Rho)z -0.7890823E-15 Laplacian 0.8056467E+00 (-1/4)Del**2(Rho)) -0.2014117E+00 Diamond 0.2513092E+01 Metallicity 0.6669318E+01 Ellipticity 0.2287338E-02 Gb(Abramov) 0.3581542E+00 Vb(Abramov) -0.5148967E+00 Hb(Abramov) -0.1567425E+00 Ex_ueg -0.9592726E-01 Ec_ueg -0.1281996E-01 Delta_ex -0.9474027E-01 Delta_ec 0.1831831E-01 Delta_et -0.2524086E+00 Pxc 0.7482646E+01 Qxc -0.5171888E+01 3,-1 162 3 -1 -3.241110 0.016789 -3.229135 Rho 0.2384982E+00 |GRAD(Rho)| 0.3671088E-15 GRAD(Rho)x -0.1781344E-15 GRAD(Rho)y 0.1592422E-16 GRAD(Rho)z -0.3205986E-15 Laplacian 0.8747958E+00 (-1/4)Del**2(Rho)) -0.2186989E+00 Diamond 0.3065203E+01 Metallicity 0.7225175E+01 Ellipticity 0.1581462E-02 Gb(Abramov) 0.4091557E+00 Vb(Abramov) -0.5996124E+00 Hb(Abramov) -0.1904567E+00 Ex_ueg -0.1092359E+00 Ec_ueg -0.1433536E-01 Delta_ex -0.1054910E+00 Delta_ec 0.1930904E-01 Delta_et -0.2671781E+00 Pxc 0.7620028E+01 Qxc -0.5463294E+01 3,-1 163 3 -1 -1.777354 0.538530 1.732120 Rho 0.3928838E-01 |GRAD(Rho)| 0.9451955E-16 GRAD(Rho)x 0.6043792E-16 GRAD(Rho)y 0.1963316E-16 GRAD(Rho)z -0.6996958E-16 Laplacian 0.1683731E+00 (-1/4)Del**2(Rho)) -0.4209327E-01 Diamond 0.6586820E-01 Metallicity 0.1858293E+01 Ellipticity 0.1627111E-01 Gb(Abramov) 0.4109911E-01 Vb(Abramov) -0.4010496E-01 Hb(Abramov) 0.9941538E-03 Ex_ueg -0.9864398E-02 Ec_ueg -0.1831949E-02 Delta_ex -0.1330962E-01 Delta_ec 0.5489061E-02 Delta_et -0.5433583E-01 Pxc 0.5384647E+01 Qxc -0.2424753E+01 3,-1 164 3 -1 -2.798353 0.504923 -1.837233 Rho 0.1394803E+00 |GRAD(Rho)| 0.4575132E-13 GRAD(Rho)x 0.2408216E-13 GRAD(Rho)y 0.4326942E-14 GRAD(Rho)z 0.3865890E-13 Laplacian 0.5725237E+00 (-1/4)Del**2(Rho)) -0.1431309E+00 Diamond 0.1062432E+01 Metallicity 0.4515176E+01 Ellipticity 0.1061056E-01 Gb(Abramov) 0.2031308E+00 Vb(Abramov) -0.2631308E+00 Hb(Abramov) -0.5999992E-01 Ex_ueg -0.5342392E-01 Ec_ueg -0.7773544E-02 Delta_ex -0.6039145E-01 Delta_ec 0.1477350E-01 Delta_et -0.1945679E+00 Pxc 0.6872531E+01 Qxc -0.4087822E+01 3,-1 165 3 -1 -1.812301 -2.819971 0.564240 Rho 0.1258693E+00 |GRAD(Rho)| 0.3045760E-15 GRAD(Rho)x -0.1285728E-15 GRAD(Rho)y 0.2431662E-16 GRAD(Rho)z -0.2750350E-15 Laplacian 0.5200357E+00 (-1/4)Del**2(Rho)) -0.1300089E+00 Diamond 0.8541835E+00 Metallicity 0.4189026E+01 Ellipticity 0.1104722E-01 Gb(Abramov) 0.1774411E+00 Vb(Abramov) -0.2248732E+00 Hb(Abramov) -0.4743215E-01 Ex_ueg -0.4658844E-01 Ec_ueg -0.6917207E-02 Delta_ex -0.5352444E-01 Delta_ec 0.1378016E-01 Delta_et -0.1785906E+00 Pxc 0.6735152E+01 Qxc -0.3884167E+01 3,-1 166 3 -1 -1.846872 0.537588 -2.855004 Rho 0.1599068E+00 |GRAD(Rho)| 0.4230582E-15 GRAD(Rho)x -0.3973601E-15 GRAD(Rho)y 0.1244122E-16 GRAD(Rho)z -0.1446665E-15 Laplacian 0.6583555E+00 (-1/4)Del**2(Rho)) -0.1645889E+00 Diamond 0.1428288E+01 Metallicity 0.4930956E+01 Ellipticity 0.1125831E-01 Gb(Abramov) 0.2449893E+00 Vb(Abramov) -0.3253898E+00 Hb(Abramov) -0.8040046E-01 Ex_ueg -0.6410243E-01 Ec_ueg -0.9080682E-02 Delta_ex -0.7171294E-01 Delta_ec 0.1623589E-01 Delta_et -0.2174734E+00 Pxc 0.7059209E+01 Qxc -0.4416940E+01 3,-1 167 3 -1 -2.006455 0.864798 3.043792 Rho 0.1117125E+00 |GRAD(Rho)| 0.3295928E-14 GRAD(Rho)x -0.2001912E-14 GRAD(Rho)y -0.2324502E-14 GRAD(Rho)z -0.1205064E-14 Laplacian 0.4593697E+00 (-1/4)Del**2(Rho)) -0.1148424E+00 Diamond 0.6730500E+00 Metallicity 0.3887052E+01 Ellipticity 0.5451204E-02 Gb(Abramov) 0.1509614E+00 Vb(Abramov) -0.1870803E+00 Hb(Abramov) -0.3611893E-01 Ex_ueg -0.3973629E-01 Ec_ueg -0.6039857E-02 Delta_ex -0.4624231E-01 Delta_ec 0.1302566E-01 Delta_et -0.1660525E+00 Pxc 0.6579012E+01 Qxc -0.3550093E+01 3,-1 168 3 +1 -1.018133 -2.201673 -1.435470 Rho 0.2552619E-01 |GRAD(Rho)| 0.1520945E-13 GRAD(Rho)x -0.4267692E-14 GRAD(Rho)y 0.6862860E-14 GRAD(Rho)z -0.1288469E-13 Laplacian 0.9780828E-01 (-1/4)Del**2(Rho)) -0.2445207E-01 Diamond 0.1174383E-01 Metallicity 0.1559125E+01 Ellipticity -0.2544770E+01 Gb(Abramov) 0.2265535E-01 Vb(Abramov) -0.2085863E-01 Hb(Abramov) 0.1796718E-02 Ex_ueg -0.5550939E-02 Ec_ueg -0.1115243E-02 Delta_ex -0.5967051E-02 Delta_ec 0.1391824E-02 Delta_et -0.1240669E-01 Pxc 0.4977333E+01 Qxc -0.4287218E+01 3,+1 169 3 -1 -1.830598 2.760468 -0.575359 Rho 0.1481736E+00 |GRAD(Rho)| 0.3323917E-15 GRAD(Rho)x -0.2846573E-15 GRAD(Rho)y 0.1304837E-15 GRAD(Rho)z 0.1114831E-15 Laplacian 0.6349308E+00 (-1/4)Del**2(Rho)) -0.1587327E+00 Diamond 0.1282612E+01 Metallicity 0.4503029E+01 Ellipticity 0.2294343E-01 Gb(Abramov) 0.2249515E+00 Vb(Abramov) -0.2911702E+00 Hb(Abramov) -0.6621877E-01 Ex_ueg -0.5790901E-01 Ec_ueg -0.8326700E-02 Delta_ex -0.6812976E-01 Delta_ec 0.1642476E-01 Delta_et -0.2188738E+00 Pxc 0.6954617E+01 Qxc -0.4147990E+01 3,-1 170 3 -1 -0.857293 2.012383 3.033866 Rho 0.1556532E+00 |GRAD(Rho)| 0.1199019E-12 GRAD(Rho)x 0.8442696E-13 GRAD(Rho)y 0.7282783E-13 GRAD(Rho)z -0.4409841E-13 Laplacian 0.6068566E+00 (-1/4)Del**2(Rho)) -0.1517142E+00 Diamond 0.1280314E+01 Metallicity 0.5114352E+01 Ellipticity 0.3131919E-01 Gb(Abramov) 0.2304627E+00 Vb(Abramov) -0.3092113E+00 Hb(Abramov) -0.7874855E-01 Ex_ueg -0.6183902E-01 Ec_ueg -0.8806379E-02 Delta_ex -0.6571672E-01 Delta_ec 0.1516504E-01 Delta_et -0.2026734E+00 Pxc 0.7022071E+01 Qxc -0.4333436E+01 3,-1 171 3 -1 -0.871868 -2.047632 -3.036659 Rho 0.1122693E+00 |GRAD(Rho)| 0.1771693E-12 GRAD(Rho)x 0.1300018E-12 GRAD(Rho)y -0.9879313E-13 GRAD(Rho)z 0.6876344E-13 Laplacian 0.4608334E+00 (-1/4)Del**2(Rho)) -0.1152084E+00 Diamond 0.6813459E+00 Metallicity 0.3906945E+01 Ellipticity 0.9565091E-02 Gb(Abramov) 0.1518244E+00 Vb(Abramov) -0.1884403E+00 Hb(Abramov) -0.3661599E-01 Ex_ueg -0.4000057E-01 Ec_ueg -0.6074093E-02 Delta_ex -0.4647441E-01 Delta_ec 0.1310750E-01 Delta_et -0.1673326E+00 Pxc 0.6585439E+01 Qxc -0.3545635E+01 3,-1 172 3 -1 -0.872222 3.024393 2.019228 Rho 0.1548225E+00 |GRAD(Rho)| 0.1468728E-13 GRAD(Rho)x -0.6496567E-14 GRAD(Rho)y -0.6100806E-14 GRAD(Rho)z -0.1167438E-13 Laplacian 0.6039884E+00 (-1/4)Del**2(Rho)) -0.1509971E+00 Diamond 0.1267455E+01 Metallicity 0.5093013E+01 Ellipticity 0.4497529E-01 Gb(Abramov) 0.2288365E+00 Vb(Abramov) -0.3066758E+00 Hb(Abramov) -0.7783934E-01 Ex_ueg -0.6139937E-01 Ec_ueg -0.8752937E-02 Delta_ex -0.6533259E-01 Delta_ec 0.1513681E-01 Delta_et -0.2022099E+00 Pxc 0.7014717E+01 Qxc -0.4316140E+01 3,-1 173 3 -1 0.614593 -1.880235 -2.851096 Rho 0.1324641E+00 |GRAD(Rho)| 0.1989219E-11 GRAD(Rho)x 0.1319392E-11 GRAD(Rho)y 0.1408171E-11 GRAD(Rho)z -0.4829611E-12 Laplacian 0.5645970E+00 (-1/4)Del**2(Rho)) -0.1411492E+00 Diamond 0.1006810E+01 Metallicity 0.4201185E+01 Ellipticity 0.1693334E-01 Gb(Abramov) 0.1929318E+00 Vb(Abramov) -0.2447145E+00 Hb(Abramov) -0.5178261E-01 Ex_ueg -0.4987116E-01 Ec_ueg -0.7330604E-02 Delta_ex -0.5907379E-01 Delta_ec 0.1521538E-01 Delta_et -0.1996789E+00 Pxc 0.6803146E+01 Qxc -0.3882506E+01 3,-1 174 3 -1 0.452292 -0.454151 0.452461 Rho 0.1836696E+00 |GRAD(Rho)| 0.3356308E-14 GRAD(Rho)x -0.1738193E-14 GRAD(Rho)y 0.2078199E-14 GRAD(Rho)z -0.1981054E-14 Laplacian 0.4922853E+00 (-1/4)Del**2(Rho)) -0.1230713E+00 Diamond 0.1300326E+01 Metallicity 0.8307274E+01 Ellipticity 0.1438362E-02 Gb(Abramov) 0.2524454E+00 Vb(Abramov) -0.3818195E+00 Hb(Abramov) -0.1293741E+00 Ex_ueg -0.7710837E-01 Ec_ueg -0.1063268E-01 Delta_ex -0.5581502E-01 Delta_ec 0.1223904E-01 Delta_et -0.1681226E+00 Pxc 0.7252016E+01 Qxc -0.4560408E+01 3,-1 175 3 -1 2.027308 0.877574 -3.084584 Rho 0.1306652E+00 |GRAD(Rho)| 0.1005026E-14 GRAD(Rho)x 0.7181078E-15 GRAD(Rho)y -0.6202992E-15 GRAD(Rho)z 0.3311018E-15 Laplacian 0.5257587E+00 (-1/4)Del**2(Rho)) -0.1314397E+00 Diamond 0.9243267E+00 Metallicity 0.4409879E+01 Ellipticity 0.5089744E-02 Gb(Abramov) 0.1842320E+00 Vb(Abramov) -0.2370242E+00 Hb(Abramov) -0.5279229E-01 Ex_ueg -0.4897018E-01 Ec_ueg -0.7217552E-02 Delta_ex -0.5485457E-01 Delta_ec 0.1425847E-01 Delta_et -0.1867747E+00 Pxc 0.6784874E+01 Qxc -0.3847158E+01 3,-1 176 3 -1 2.015829 -2.982650 0.851057 Rho 0.1313764E+00 |GRAD(Rho)| 0.9227081E-12 GRAD(Rho)x 0.5294128E-12 GRAD(Rho)y 0.2995160E-12 GRAD(Rho)z -0.6938318E-12 Laplacian 0.5173727E+00 (-1/4)Del**2(Rho)) -0.1293432E+00 Diamond 0.8947619E+00 Metallicity 0.4522083E+01 Ellipticity 0.2595049E-01 Gb(Abramov) 0.1837122E+00 Vb(Abramov) -0.2380813E+00 Hb(Abramov) -0.5436905E-01 Ex_ueg -0.4932588E-01 Ec_ueg -0.7262220E-02 Delta_ex -0.5380293E-01 Delta_ec 0.1357220E-01 Delta_et -0.1771395E+00 Pxc 0.6792122E+01 Qxc -0.3964201E+01 3,-1 177 3 -1 3.018512 2.029514 -0.845266 Rho 0.1641782E+00 |GRAD(Rho)| 0.2591204E-15 GRAD(Rho)x -0.4302927E-16 GRAD(Rho)y 0.4496729E-16 GRAD(Rho)z 0.2515349E-15 Laplacian 0.6376049E+00 (-1/4)Del**2(Rho)) -0.1594012E+00 Diamond 0.1435677E+01 Metallicity 0.5320110E+01 Ellipticity 0.3833575E-01 Gb(Abramov) 0.2476061E+00 Vb(Abramov) -0.3358111E+00 Hb(Abramov) -0.8820492E-01 Ex_ueg -0.6639555E-01 Ec_ueg -0.9357215E-02 Delta_ex -0.6997975E-01 Delta_ec 0.1574326E-01 Delta_et -0.2118858E+00 Pxc 0.7095653E+01 Qxc -0.4445060E+01 3,-1 178 3 -1 2.762210 0.573779 1.806323 Rho 0.1504763E+00 |GRAD(Rho)| 0.7552047E-14 GRAD(Rho)x -0.8909635E-15 GRAD(Rho)y -0.5116540E-14 GRAD(Rho)z 0.5482756E-14 Laplacian 0.6298573E+00 (-1/4)Del**2(Rho)) -0.1574643E+00 Diamond 0.1272666E+01 Metallicity 0.4657484E+01 Ellipticity 0.1594732E-01 Gb(Abramov) 0.2272075E+00 Vb(Abramov) -0.2969506E+00 Hb(Abramov) -0.6974315E-01 Ex_ueg -0.5911205E-01 Ec_ueg -0.8474014E-02 Delta_ex -0.6760808E-01 Delta_ec 0.1581587E-01 Delta_et -0.2102798E+00 Pxc 0.6975685E+01 Qxc -0.4274699E+01 3,-1 179 3 -1 3.252152 -3.208863 -0.048205 Rho 0.2377750E+00 |GRAD(Rho)| 0.6445147E-15 GRAD(Rho)x -0.4279346E-15 GRAD(Rho)y 0.4181768E-15 GRAD(Rho)z 0.2395816E-15 Laplacian 0.8649669E+00 (-1/4)Del**2(Rho)) -0.2162417E+00 Diamond 0.3024451E+01 Metallicity 0.7270383E+01 Ellipticity 0.2082076E-02 Gb(Abramov) 0.4061878E+00 Vb(Abramov) -0.5961339E+00 Hb(Abramov) -0.1899461E+00 Ex_ueg -0.1087944E+00 Ec_ueg -0.1428544E-01 Delta_ex -0.1042486E+00 Delta_ec 0.1915492E-01 Delta_et -0.2652172E+00 Pxc 0.7615755E+01 Qxc -0.5442394E+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 78 115 95 110 138 132 104 116 173 105 171 108 106 128 113 114 135 136 122 103 134 119 170 172 120 139 150 109 151 176 179 146 152 147 177 148 153 69 70 169 71 73 74 60 75 165 61 80 62 86 164 166 82 81 162 163 85 89 66 167 161 142 178 112 155 149 157 144 154 143 158 175 156 174 96 129 101 107 160 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 47 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 54 2.409400 1.887389 1.920761 1.970813 1.955450 1.745928 2.454441 1.960077 2.026981 2.032336 2.041383 1.784882 2.431810 2.035089 2.014809 1.980384 2.046703 1.784350 2.418013 1.965523 1.943376 1.910719 1.912426 1.744849 2.444435 1.874834 1.888425 1.996281 1.977806 1.747158 2.396478 1.991436 1.963755 1.890016 1.899984 1.746651 2.303405 1.961419 1.918576 1.971833 2.031797 1.942250 2.425799 1.916670 1.983131 1.925691 1.910868 1.746123 2.396826 1.945830 1.890578 2.006214 1.913411 1.745785 2.459102 2.001224 2.030725 1.984100 2.034180 1.783771 2.395773 1.912267 1.931160 1.931237 1.954929 1.744974 2.446598 2.059668 1.965680 2.070807 1.975488 1.787243 1.704331 1.699163 1.695754 1.710704 3.276989 0.976398 2.411282 1.887685 1.921228 1.971389 1.956057 1.745935 2.456520 1.960266 2.027189 2.032635 2.041713 1.784890 2.433761 2.035285 2.014950 1.980732 2.047020 1.784357 2.419489 1.965942 1.943819 1.911240 1.912810 1.744858 2.445957 1.875116 1.888714 1.996878 1.978395 1.747170 2.398348 1.991848 1.964186 1.890483 1.900459 1.746660 2.305008 1.961738 1.918873 1.972210 2.032126 1.943616 2.427420 1.917039 1.983530 1.926250 1.911395 1.746131 2.398601 1.946155 1.890881 2.006839 1.913948 1.745794 2.460898 2.001494 2.030933 1.984261 2.034511 1.783774 2.397572 1.912728 1.931610 1.931823 1.955534 1.744982 2.448609 2.059867 1.965864 2.071144 1.975795 1.787251 1.704338 1.699167 1.695760 1.710714 3.282017 0.976547 30 27 28 26 27 25 29 27 28 27 27 26 29 27 29 25 24 24 30 25 25 26 26 25 29 24 26 26 25 24 27 24 25 25 24 22 27 24 25 24 26 24 27 25 24 25 25 23 27 25 26 24 25 22 29 25 28 25 25 22 29 26 28 25 25 22 28 25 25 27 25 23 23 23 22 23 35 20 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 W Ta Ta W W W Ta W W Ta W 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 O As H 2.4658 2.2412 2.2384 2.4570 2.4557 2.4544 2.4178 2.4542 2.4583 2.2370 2.4680 2.2302 -1.1213 -1.1173 -1.1170 -1.1311 -0.9837 -0.9701 -0.9781 -0.9645 -1.0167 -0.9661 -0.9780 -0.9722 -0.9966 -0.9679 -0.9706 -0.9774 -0.9828 -0.9808 -0.9857 -1.0232 -0.9804 -1.0332 -0.9925 -0.9967 -0.9955 -0.9868 -0.9898 -0.9884 -0.8199 -0.9226 -0.9215 -0.8177 -0.8264 -0.8210 -0.8058 -0.8213 -0.8209 -0.9205 -0.8145 -0.9296 2.5456 0.2824 2.0926 2.1029 2.1053 2.0974 2.0970 2.1010 2.0904 2.0998 2.1003 2.1045 2.0890 2.1089 1.9367 1.9381 1.9384 1.9343 1.9284 1.9315 1.9287 1.9306 1.9240 1.9302 1.9298 1.9306 1.9291 1.9300 1.9296 1.9301 1.9397 1.9394 1.9393 1.9339 1.9395 1.9317 1.9379 1.9383 1.9377 1.9385 1.9392 1.9385 1.9617 1.9447 1.9449 1.9621 1.9616 1.9611 1.8716 1.9615 1.9621 1.9451 1.9618 1.9438 0.8227 0.6102 6.0921 6.0739 6.0755 6.0927 6.0968 6.0928 6.0713 6.0964 6.0963 6.0728 6.0897 6.0760 5.1459 5.1409 5.1408 5.1588 5.0286 5.0108 5.0222 5.0049 5.0682 5.0067 5.0208 5.0137 5.0423 5.0090 5.0126 5.0193 5.0126 5.0110 5.0174 5.0631 5.0104 5.0754 5.0257 5.0296 5.0294 5.0190 5.0210 5.0206 4.8240 4.9502 4.9490 4.8214 4.8308 4.8259 4.9058 4.8257 4.8246 4.9476 4.8183 4.9585 1.0907 0.1074 3.3201 2.5481 2.5469 3.3235 3.3212 3.3225 2.3836 3.3204 3.3159 2.5518 3.3238 2.5510 0.0387 0.0383 0.0378 0.0380 0.0267 0.0279 0.0272 0.0291 0.0244 0.0291 0.0274 0.0278 0.0251 0.0290 0.0284 0.0280 0.0305 0.0304 0.0290 0.0262 0.0305 0.0261 0.0289 0.0288 0.0283 0.0293 0.0297 0.0293 0.0342 0.0276 0.0277 0.0343 0.0340 0.0340 0.0284 0.0342 0.0342 0.0278 0.0344 0.0273 10.5409 0.0000 14.0294 14.0339 14.0338 14.0294 14.0294 14.0293 14.0369 14.0293 14.0292 14.0340 14.0295 14.0338 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W Ta Ta W W W Ta W W Ta W 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 O As H 2.505047 2.365851 2.365730 2.503293 2.498682 2.504457 2.429128 2.503959 2.503767 2.364109 2.507653 2.362188 -1.092927 -1.096217 -1.097829 -1.095761 -1.001689 -0.992051 -0.999267 -0.975837 -1.040136 -0.978353 -0.997278 -0.990957 -1.013756 -0.980422 -0.983050 -0.994972 -0.968722 -0.969953 -0.984025 -1.019560 -0.967539 -1.035336 -0.989836 -0.988393 -0.990973 -0.983522 -0.974357 -0.985119 -0.860294 -0.999586 -0.997383 -0.858449 -0.867091 -0.862967 -0.619484 -0.862971 -0.860538 -0.996966 -0.854339 -1.009296 2.321856 0.101484 1.930410 1.848375 1.848408 1.931698 1.930219 1.936295 1.749269 1.934294 1.935697 1.845919 1.930276 1.845338 -0.730406 -0.735816 -0.740098 -0.722142 -0.763086 -0.762674 -0.727980 -0.733921 -0.799800 -0.731951 -0.771634 -0.761128 -0.745440 -0.739116 -0.728223 -0.768279 -0.803387 -0.807249 -0.829477 -0.835374 -0.801585 -0.875277 -0.833325 -0.831935 -0.832056 -0.808185 -0.804178 -0.833075 -0.770552 -0.930905 -0.926721 -0.766667 -0.776271 -0.771912 -0.819424 -0.773162 -0.769179 -0.926257 -0.763481 -0.943108 1.728329 0.399910 2.040267 1.964868 1.963071 2.038032 2.038620 2.042625 1.951456 2.044301 2.047729 1.958468 2.038201 1.962926 -0.802926 -0.806388 -0.805669 -0.793172 -0.849653 -0.836925 -0.834206 -0.813659 -0.893486 -0.812742 -0.846836 -0.837049 -0.855310 -0.820371 -0.815114 -0.843452 -0.836782 -0.839312 -0.853821 -0.886094 -0.836013 -0.918273 -0.864141 -0.862387 -0.861188 -0.848021 -0.842693 -0.863551 -0.735159 -0.905376 -0.901731 -0.732998 -0.740995 -0.739395 -0.812020 -0.738808 -0.733702 -0.902336 -0.729280 -0.917526 1.666887 0.411111 -4.58772361 6.73441689 5.85055562 10.03137975 9.14226332 -22.53593542 39.58271724 22.47303491 -9.42731552 -31.61529823 -394.9026 431.2079 -33.0714 -428.3911 -57.8967 -483.0539 Jun20-2024 07:19:34 Nodes: 1 Procs: 1 Jun20-2024 07:19:36 Nodes: 1 Procs: 1 0 Jun20-2024 07:19:38 Nodes: 1 Procs: 1 Jun20-2024 07:19:40 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:19:43 Nodes: 1 Procs: 1 Jun20-2024 07:19:46 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:19:50 Nodes: 1 Procs: 1 Jun20-2024 07:19:52 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 07:19:54 Nodes: 1 Procs: 1 Jun20-2024 07:19:57 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 07:20:02 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -17.28664795 -17.62266905 -17.63244258 -17.73262117 -17.74221430 -17.74642826 -17.74844476 -17.75063234 -17.75089024 -17.75115706 -17.75158470 -17.75168813 -17.75188276 -17.75189569 -17.75190320 GEOMETRY CONVERGED