ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:01:59 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 1.21 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 Jun21-2024 08:01:59 Nodes: 1 Procs: 1 Jun21-2024 08:02:02 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:04 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.04 2.43 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 Jun21-2024 08:01:59 Nodes: 1 Procs: 1 Jun21-2024 08:02:02 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:04 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.94 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 Jun21-2024 08:01:59 Nodes: 1 Procs: 1 Jun21-2024 08:02:02 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:04 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:02:10 Nodes: 1 Procs: 1 Jun21-2024 08:02:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:17 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.35 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 Jun21-2024 08:01:59 Nodes: 1 Procs: 1 Jun21-2024 08:02:02 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:04 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:02:10 Nodes: 1 Procs: 1 Jun21-2024 08:02:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:02:17 Nodes: 1 Procs: 1 Jun21-2024 08:02:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:21 Hydrogen (TZP) c10-28 c10-28 c10-28 c10-28 c10-28 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 2.70 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 Jun21-2024 08:01:59 Nodes: 1 Procs: 1 Jun21-2024 08:02:02 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:04 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:02:10 Nodes: 1 Procs: 1 Jun21-2024 08:02:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:02:17 Nodes: 1 Procs: 1 Jun21-2024 08:02:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:02:21 Nodes: 1 Procs: 1 Jun21-2024 08:02:23 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:02:28 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2700.893500000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Ta ADF 2019.304 Jun21-2024 08:02:13 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun21-2024 08:02:07 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun21-2024 08:02:23 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun21-2024 08:02:19 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun21-2024 08:02:02 1 1 Hydrogen TZP 1 1 -17.05055390 0.25686566 0.00100000 F 0.08527945 0.00066667 F 0.25686566 0.08527945 0.29947273 0.01000000 F 0.06691843 0.00666667 F Cartesian 2700.893500000006 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0.276639 -3.792729 3.805570 -0.147703 -3.952136 -3.748336 0.289059 -4.087115 0.479054 -3.590698 -3.819008 -0.172334 3.841006 3.772233 0.278916 3.826797 -0.557931 -3.587360 -1.245954 1 3 -3 0.111377 -2.593464 2.605728 Rho 0.3882647E+07 3,-3 2 3 -3 0.147764 2.510526 -2.629449 Rho 0.3882647E+07 3,-3 3 3 -3 2.435337 -2.746633 -0.027554 Rho 0.3882647E+07 3,-3 4 3 -3 2.608756 2.580070 -0.190188 Rho 0.3882647E+07 3,-3 5 3 -3 -2.607721 -2.586571 -0.120262 Rho 0.3882647E+07 3,-3 6 3 -3 -2.606916 -0.244698 -2.761978 Rho 0.3882647E+07 3,-3 7 3 -3 2.619588 -0.035429 -2.736671 Rho 0.3882647E+07 3,-3 8 3 -3 -0.051344 -0.064397 -0.079560 Rho 0.4276095E+05 3,-3 9 3 -3 -0.084890 2.561274 2.568326 Rho 0.4361415E+07 3,-3 10 3 -3 -2.558507 2.533831 0.075557 Rho 0.4361415E+07 3,-3 11 3 -3 -2.578919 0.109971 2.599460 Rho 0.4361415E+07 3,-3 12 3 -3 2.602110 -0.146018 2.554998 Rho 0.4361415E+07 3,-3 13 3 -3 0.944449 -1.048246 0.934703 Rho 0.3190121E+03 3,-3 14 3 -3 -1.099935 -1.014094 -1.014040 Rho 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(-1/4)Del**2(Rho)) -0.7422800E-02 Diamond 0.7219379E-03 Metallicity 0.7603476E+00 Ellipticity -0.1476859E+01 Gb(Abramov) 0.5889185E-02 Vb(Abramov) -0.4355570E-02 Hb(Abramov) 0.1533615E-02 Ex_ueg -0.1204129E-02 Ec_ueg -0.2832721E-03 Delta_ex -0.1330749E-02 Delta_ec 0.4073221E-03 Delta_et -0.2751250E-02 Pxc 0.4250787E+01 Qxc -0.3267067E+01 3,+1 55 3 +1 0.280599 -2.091327 -0.770876 Rho 0.4344782E-02 |GRAD(Rho)| 0.6742211E-17 GRAD(Rho)x 0.2897550E-17 GRAD(Rho)y -0.5655466E-17 GRAD(Rho)z -0.2253290E-17 Laplacian 0.1548116E-01 (-1/4)Del**2(Rho)) -0.3870289E-02 Diamond 0.2646148E-03 Metallicity 0.5149398E+00 Ellipticity -0.2358200E+01 Gb(Abramov) 0.2912354E-02 Vb(Abramov) -0.1954418E-02 Hb(Abramov) 0.9579353E-03 Ex_ueg -0.5236114E-03 Ec_ueg -0.1188260E-03 Delta_ex -0.7109229E-03 Delta_ec 0.4188869E-03 Delta_et -0.2208907E-02 Pxc 0.4406539E+01 Qxc -0.1697172E+01 3,+1 56 3 -1 -1.810287 -1.758734 -0.546114 Rho 0.5016120E-01 |GRAD(Rho)| 0.7921820E-12 GRAD(Rho)x 0.3983026E-12 GRAD(Rho)y -0.8841042E-13 GRAD(Rho)z -0.6790368E-12 Laplacian 0.2112063E+00 (-1/4)Del**2(Rho)) -0.5280158E-01 Diamond 0.1159267E+00 Metallicity 0.2225971E+01 Ellipticity 0.2704587E-01 Gb(Abramov) 0.5479018E-01 Vb(Abramov) -0.5677878E-01 Hb(Abramov) -0.1988601E-02 Ex_ueg -0.1366288E-01 Ec_ueg -0.2423786E-02 Delta_ex -0.1775911E-01 Delta_ec 0.6935887E-02 Delta_et -0.7338375E-01 Pxc 0.5636999E+01 Qxc -0.2560467E+01 3,-1 57 3 -1 -3.328476 -3.209245 0.097676 Rho 0.1944089E+00 |GRAD(Rho)| 0.5028413E-12 GRAD(Rho)x 0.3726663E-12 GRAD(Rho)y 0.3197446E-12 GRAD(Rho)z -0.1083174E-12 Laplacian 0.7483093E+00 (-1/4)Del**2(Rho)) -0.1870773E+00 Diamond 0.2065240E+01 Metallicity 0.6007938E+01 Ellipticity 0.6088619E-02 Gb(Abramov) 0.3120431E+00 Vb(Abramov) -0.4370088E+00 Hb(Abramov) -0.1249657E+00 Ex_ueg -0.8317762E-01 Ec_ueg -0.1134473E-01 Delta_ex -0.8570604E-01 Delta_ec 0.1768606E-01 Delta_et -0.2423431E+00 Pxc 0.7331828E+01 Qxc -0.4845965E+01 3,-1 58 3 -1 -3.400006 0.143028 -3.204517 Rho 0.1846560E+00 |GRAD(Rho)| 0.9088478E-13 GRAD(Rho)x 0.7369040E-13 GRAD(Rho)y -0.3528853E-13 GRAD(Rho)z 0.3980562E-13 Laplacian 0.6954871E+00 (-1/4)Del**2(Rho)) -0.1738718E+00 Diamond 0.1820830E+01 Metallicity 0.5932848E+01 Ellipticity 0.1940059E-01 Gb(Abramov) 0.2878403E+00 Vb(Abramov) -0.4018089E+00 Hb(Abramov) -0.1139685E+00 Ex_ueg -0.7766101E-01 Ec_ueg -0.1069781E-01 Delta_ex -0.7874789E-01 Delta_ec 0.1688814E-01 Delta_et -0.2309885E+00 Pxc 0.7259525E+01 Qxc -0.4662911E+01 3,-1 59 3 -1 -1.870624 0.503696 -2.897617 Rho 0.1194118E+00 |GRAD(Rho)| 0.3991460E-12 GRAD(Rho)x -0.1483866E-13 GRAD(Rho)y 0.3057676E-12 GRAD(Rho)z -0.2561318E-12 Laplacian 0.5055939E+00 (-1/4)Del**2(Rho)) -0.1263985E+00 Diamond 0.8025801E+00 Metallicity 0.3946601E+01 Ellipticity 0.1292125E-01 Gb(Abramov) 0.1674064E+00 Vb(Abramov) -0.2084143E+00 Hb(Abramov) -0.4100791E-01 Ex_ueg -0.4342915E-01 Ec_ueg -0.6515267E-02 Delta_ex -0.5169823E-01 Delta_ec 0.1412028E-01 Delta_et -0.1822628E+00 Pxc 0.6665751E+01 Qxc -0.3661274E+01 3,-1 60 3 -1 -3.075929 -0.973610 -2.131969 Rho 0.1135598E+00 |GRAD(Rho)| 0.1259170E-12 GRAD(Rho)x 0.5293379E-13 GRAD(Rho)y 0.8355350E-13 GRAD(Rho)z -0.7792248E-13 Laplacian 0.4545779E+00 (-1/4)Del**2(Rho)) -0.1136445E+00 Diamond 0.6800579E+00 Metallicity 0.4036879E+01 Ellipticity 0.1000246E-01 Gb(Abramov) 0.1522245E+00 Vb(Abramov) -0.1908045E+00 Hb(Abramov) -0.3858000E-01 Ex_ueg -0.4061481E-01 Ec_ueg -0.6153534E-02 Delta_ex -0.4594686E-01 Delta_ec 0.1286165E-01 Delta_et -0.1645022E+00 Pxc 0.6600241E+01 Qxc -0.3572393E+01 3,-1 61 3 +1 -3.065977 -0.310613 -0.291883 Rho 0.5308947E-02 |GRAD(Rho)| 0.8054226E-17 GRAD(Rho)x 0.1628818E-17 GRAD(Rho)y 0.4550463E-17 GRAD(Rho)z -0.6442887E-17 Laplacian 0.2050030E-01 (-1/4)Del**2(Rho)) -0.5125075E-02 Diamond 0.3337391E-03 Metallicity 0.5430839E+00 Ellipticity -0.1391565E+01 Gb(Abramov) 0.3880608E-02 Vb(Abramov) -0.2636140E-02 Hb(Abramov) 0.1244467E-02 Ex_ueg -0.6840108E-03 Ec_ueg -0.1602322E-03 Delta_ex -0.8730402E-03 Delta_ec 0.3632180E-03 Delta_et -0.2121730E-02 Pxc 0.4268872E+01 Qxc -0.2403626E+01 3,+1 62 3 -1 -1.814574 -0.613429 -1.854919 Rho 0.4059136E-01 |GRAD(Rho)| 0.1351954E-15 GRAD(Rho)x -0.6213198E-16 GRAD(Rho)y 0.2976029E-16 GRAD(Rho)z -0.1163260E-15 Laplacian 0.1716533E+00 (-1/4)Del**2(Rho)) -0.4291333E-01 Diamond 0.7204362E-01 Metallicity 0.1924644E+01 Ellipticity 0.3967317E-01 Gb(Abramov) 0.4237436E-01 Vb(Abramov) -0.4183540E-01 Hb(Abramov) 0.5389641E-03 Ex_ueg -0.1030299E-01 Ec_ueg -0.1901813E-02 Delta_ex -0.1378214E-01 Delta_ec 0.5782912E-02 Delta_et -0.5778222E-01 Pxc 0.5417456E+01 Qxc -0.2383253E+01 3,-1 63 3 +3 -1.147812 -1.111606 1.176534 Rho 0.4773615E-02 |GRAD(Rho)| 0.4922673E-17 GRAD(Rho)x -0.1045995E-17 GRAD(Rho)y -0.2915117E-18 GRAD(Rho)z -0.4801419E-17 Laplacian 0.1794632E-01 (-1/4)Del**2(Rho)) -0.4486579E-02 Diamond 0.1177032E-03 Metallicity 0.5196571E+00 Ellipticity -0.1995231E+00 Gb(Abramov) 0.3379633E-02 Vb(Abramov) -0.2272687E-02 Hb(Abramov) 0.1106946E-02 Ex_ueg -0.5936287E-03 Ec_ueg -0.1371836E-03 Delta_ex -0.6122012E-03 Delta_ec 0.7919972E-04 Delta_et -0.6215817E-03 Pxc 0.4327258E+01 Qxc -0.7729840E+01 3,+3 64 3 +1 -0.546810 -0.570854 1.701429 Rho 0.7477136E-02 |GRAD(Rho)| 0.2506817E-14 GRAD(Rho)x 0.5302731E-15 GRAD(Rho)y -0.2030610E-14 GRAD(Rho)z 0.1370974E-14 Laplacian 0.2864611E-01 (-1/4)Del**2(Rho)) -0.7161527E-02 Diamond 0.6311887E-03 Metallicity 0.6877645E+00 Ellipticity -0.1404337E+01 Gb(Abramov) 0.5595258E-02 Vb(Abramov) -0.4028990E-02 Hb(Abramov) 0.1566268E-02 Ex_ueg -0.1079855E-02 Ec_ueg -0.2550237E-03 Delta_ex -0.1262084E-02 Delta_ec 0.4007219E-03 Delta_et -0.2643708E-02 Pxc 0.4234332E+01 Qxc -0.3149525E+01 3,+1 65 3 +1 -0.532592 1.669015 -0.586630 Rho 0.8009157E-02 |GRAD(Rho)| 0.4038997E-16 GRAD(Rho)x 0.2148558E-16 GRAD(Rho)y -0.2887052E-16 GRAD(Rho)z 0.1833610E-16 Laplacian 0.3038472E-01 (-1/4)Del**2(Rho)) -0.7596179E-02 Diamond 0.7382407E-03 Metallicity 0.7271142E+00 Ellipticity -0.1446690E+01 Gb(Abramov) 0.5984668E-02 Vb(Abramov) -0.4373156E-02 Hb(Abramov) 0.1611511E-02 Ex_ueg -0.1183498E-02 Ec_ueg -0.2786222E-03 Delta_ex -0.1363506E-02 Delta_ec 0.4277776E-03 Delta_et -0.2870517E-02 Pxc 0.4247680E+01 Qxc -0.3187418E+01 3,+1 66 3 +1 1.649152 0.528673 0.520309 Rho 0.7259716E-02 |GRAD(Rho)| 0.7175899E-15 GRAD(Rho)x -0.1320303E-15 GRAD(Rho)y -0.7045105E-15 GRAD(Rho)z 0.3417905E-16 Laplacian 0.2782170E-01 (-1/4)Del**2(Rho)) -0.6955425E-02 Diamond 0.6228849E-03 Metallicity 0.6741588E+00 Ellipticity -0.1455034E+01 Gb(Abramov) 0.5418460E-02 Vb(Abramov) -0.3881495E-02 Hb(Abramov) 0.1536965E-02 Ex_ueg -0.1038193E-02 Ec_ueg -0.2454172E-03 Delta_ex -0.1235949E-02 Delta_ec 0.4234504E-03 Delta_et -0.2743059E-02 Pxc 0.4230316E+01 Qxc -0.2918759E+01 3,+1 67 3 -1 -2.836446 -0.532804 1.864573 Rho 0.1598906E+00 |GRAD(Rho)| 0.3220647E-15 GRAD(Rho)x -0.2747572E-15 GRAD(Rho)y -0.1651240E-15 GRAD(Rho)z -0.3111660E-16 Laplacian 0.6542304E+00 (-1/4)Del**2(Rho)) -0.1635576E+00 Diamond 0.1417170E+01 Metallicity 0.4961206E+01 Ellipticity 0.1474578E-01 Gb(Abramov) 0.2442789E+00 Vb(Abramov) -0.3250002E+00 Hb(Abramov) -0.8072130E-01 Ex_ueg -0.6409374E-01 Ec_ueg -0.9079631E-02 Delta_ex -0.7124355E-01 Delta_ec 0.1610198E-01 Delta_et -0.2155936E+00 Pxc 0.7059068E+01 Qxc -0.4424521E+01 3,-1 68 3 +1 -1.831950 -1.741061 1.848843 Rho 0.1161530E-01 |GRAD(Rho)| 0.1740908E-15 GRAD(Rho)x 0.1087983E-15 GRAD(Rho)y 0.1685513E-16 GRAD(Rho)z 0.1348571E-15 Laplacian 0.5496837E-01 (-1/4)Del**2(Rho)) -0.1374209E-01 Diamond 0.2021188E-02 Metallicity 0.7468227E+00 Ellipticity -0.1263809E+01 Gb(Abramov) 0.1087188E-01 Vb(Abramov) -0.8001667E-02 Hb(Abramov) 0.2870213E-02 Ex_ueg -0.1942788E-02 Ec_ueg -0.4418390E-03 Delta_ex -0.2653139E-02 Delta_ec 0.6675949E-03 Delta_et -0.5001921E-02 Pxc 0.4397050E+01 Qxc -0.3974175E+01 3,+1 69 3 -1 -3.246821 -0.041110 3.268165 Rho 0.2193842E+00 |GRAD(Rho)| 0.6882132E-15 GRAD(Rho)x 0.5381980E-15 GRAD(Rho)y 0.1323946E-15 GRAD(Rho)z -0.4079853E-15 Laplacian 0.8093349E+00 (-1/4)Del**2(Rho)) -0.2023337E+00 Diamond 0.2576001E+01 Metallicity 0.6794549E+01 Ellipticity 0.1645791E-02 Gb(Abramov) 0.3640169E+00 Vb(Abramov) -0.5257000E+00 Hb(Abramov) -0.1616831E+00 Ex_ueg -0.9772199E-01 Ec_ueg -0.1302566E-01 Delta_ex -0.9556940E-01 Delta_ec 0.1842432E-01 Delta_et -0.2544485E+00 Pxc 0.7502268E+01 Qxc -0.5187133E+01 3,-1 70 3 -1 -2.858375 0.510636 -1.844436 Rho 0.5337652E-01 |GRAD(Rho)| 0.1548286E-15 GRAD(Rho)x 0.1441735E-16 GRAD(Rho)y -0.7318195E-16 GRAD(Rho)z -0.1356777E-15 Laplacian 0.2305002E+00 (-1/4)Del**2(Rho)) -0.5762506E-01 Diamond 0.1392365E+00 Metallicity 0.2262171E+01 Ellipticity 0.9321371E-02 Gb(Abramov) 0.6014300E-01 Vb(Abramov) -0.6266094E-01 Hb(Abramov) -0.2517939E-02 Ex_ueg -0.1484290E-01 Ec_ueg -0.2602348E-02 Delta_ex -0.1974421E-01 Delta_ec 0.7678115E-02 Delta_et -0.8262875E-01 Pxc 0.5703656E+01 Qxc -0.2571492E+01 3,-1 71 3 -1 -3.019762 0.884244 2.070198 Rho 0.1402932E+00 |GRAD(Rho)| 0.4685926E-14 GRAD(Rho)x -0.3950230E-14 GRAD(Rho)y -0.3866265E-15 GRAD(Rho)z 0.2490805E-14 Laplacian 0.5535873E+00 (-1/4)Del**2(Rho)) -0.1383968E+00 Diamond 0.1030231E+01 Metallicity 0.4715068E+01 Ellipticity 0.4758591E-01 Gb(Abramov) 0.2010229E+00 Vb(Abramov) -0.2636491E+00 Hb(Abramov) -0.6262612E-01 Ex_ueg -0.5383943E-01 Ec_ueg -0.7825062E-02 Delta_ex -0.5843032E-01 Delta_ec 0.1418188E-01 Delta_et -0.1867665E+00 Pxc 0.6880383E+01 Qxc -0.4120068E+01 3,-1 72 3 +1 -1.733265 -0.529664 0.556391 Rho 0.8367240E-02 |GRAD(Rho)| 0.1082241E-16 GRAD(Rho)x -0.5340503E-17 GRAD(Rho)y 0.4694538E-17 GRAD(Rho)z 0.8158734E-17 Laplacian 0.3178628E-01 (-1/4)Del**2(Rho)) -0.7946570E-02 Diamond 0.8206975E-03 Metallicity 0.7476135E+00 Ellipticity -0.1466564E+01 Gb(Abramov) 0.6287874E-02 Vb(Abramov) -0.4629178E-02 Hb(Abramov) 0.1658696E-02 Ex_ueg -0.1254569E-02 Ec_ueg -0.2945778E-03 Delta_ex -0.1442677E-02 Delta_ec 0.4483460E-03 Delta_et -0.3041993E-02 Pxc 0.4258872E+01 Qxc -0.3217776E+01 3,+1 73 3 -1 -3.076959 -2.071585 -0.898765 Rho 0.1328069E+00 |GRAD(Rho)| 0.1709719E-15 GRAD(Rho)x -0.5761179E-16 GRAD(Rho)y 0.3888220E-16 GRAD(Rho)z -0.1562064E-15 Laplacian 0.5393318E+00 (-1/4)Del**2(Rho)) -0.1348329E+00 Diamond 0.9615534E+00 Metallicity 0.4416974E+01 Ellipticity 0.4490586E-01 Gb(Abramov) 0.1891476E+00 Vb(Abramov) -0.2434622E+00 Hb(Abramov) -0.5431461E-01 Ex_ueg -0.5004329E-01 Ec_ueg -0.7352167E-02 Delta_ex -0.5642791E-01 Delta_ec 0.1445880E-01 Delta_et -0.1897063E+00 Pxc 0.6806604E+01 Qxc -0.3902668E+01 3,-1 74 3 -1 -2.851065 -1.798035 0.593841 Rho 0.9984971E-01 |GRAD(Rho)| 0.8144367E-16 GRAD(Rho)x -0.2911760E-16 GRAD(Rho)y -0.4598372E-16 GRAD(Rho)z 0.6058657E-16 Laplacian 0.4279149E+00 (-1/4)Del**2(Rho)) -0.1069787E+00 Diamond 0.5529536E+00 Metallicity 0.3460725E+01 Ellipticity 0.2870717E-02 Gb(Abramov) 0.1330231E+00 Vb(Abramov) -0.1590676E+00 Hb(Abramov) -0.2604442E-01 Ex_ueg -0.3421218E-01 Ec_ueg -0.5315949E-02 Delta_ex -0.4205895E-01 Delta_ec 0.1260068E-01 Delta_et -0.1572891E+00 Pxc 0.6435762E+01 Qxc -0.3337831E+01 3,-1 75 3 -1 -3.222951 3.218113 -0.043385 Rho 0.2144051E+00 |GRAD(Rho)| 0.6489475E-15 GRAD(Rho)x -0.4166589E-15 GRAD(Rho)y 0.4712485E-15 GRAD(Rho)z -0.1595403E-15 Laplacian 0.7971242E+00 (-1/4)Del**2(Rho)) -0.1992810E+00 Diamond 0.2463358E+01 Metallicity 0.6639659E+01 Ellipticity 0.3479483E-02 Gb(Abramov) 0.3533804E+00 Vb(Abramov) -0.5074797E+00 Hb(Abramov) -0.1540993E+00 Ex_ueg -0.9477605E-01 Ec_ueg -0.1268779E-01 Delta_ex -0.9354275E-01 Delta_ec 0.1821275E-01 Delta_et -0.2509746E+00 Pxc 0.7469865E+01 Qxc -0.5136113E+01 3,-1 76 3 -1 -1.735067 1.723990 0.518299 Rho 0.4721110E-01 |GRAD(Rho)| 0.6438988E-16 GRAD(Rho)x -0.1307353E-16 GRAD(Rho)y 0.5056660E-16 GRAD(Rho)z -0.3765845E-16 Laplacian 0.1833218E+00 (-1/4)Del**2(Rho)) -0.4583045E-01 Diamond 0.8528242E-01 Metallicity 0.2318138E+01 Ellipticity 0.1836974E-01 Gb(Abramov) 0.4826051E-01 Vb(Abramov) -0.5069058E-01 Hb(Abramov) -0.2430066E-02 Ex_ueg -0.1260213E-01 Ec_ueg -0.2261303E-02 Delta_ex -0.1484231E-01 Delta_ec 0.5408667E-02 Delta_et -0.5616797E-01 Pxc 0.5572948E+01 Qxc -0.2744171E+01 3,-1 77 3 -1 -2.029420 -3.216448 -0.744066 Rho 0.1235059E+00 |GRAD(Rho)| 0.2474099E-15 GRAD(Rho)x -0.1865776E-15 GRAD(Rho)y -0.7119143E-16 GRAD(Rho)z 0.1460556E-15 Laplacian 0.4738056E+00 (-1/4)Del**2(Rho)) -0.1184514E+00 Diamond 0.7967590E+00 Metallicity 0.4454775E+01 Ellipticity 0.9170118E-01 Gb(Abramov) 0.1669133E+00 Vb(Abramov) -0.2153752E+00 Hb(Abramov) -0.4846191E-01 Ex_ueg -0.4542573E-01 Ec_ueg -0.6769767E-02 Delta_ex -0.4901040E-01 Delta_ec 0.1344203E-01 Delta_et -0.1750809E+00 Pxc 0.6710088E+01 Qxc -0.3646056E+01 3,-1 78 3 -1 -0.223845 -1.270774 -3.860551 Rho 0.2864328E-02 |GRAD(Rho)| 0.7141973E-17 GRAD(Rho)x -0.7125928E-17 GRAD(Rho)y -0.1996266E-18 GRAD(Rho)z -0.4348363E-18 Laplacian 0.8672575E-02 (-1/4)Del**2(Rho)) -0.2168144E-02 Diamond 0.1375426E-03 Metallicity 0.4590250E+00 Ellipticity 0.1504752E+00 Gb(Abramov) 0.1611301E-02 Vb(Abramov) -0.1054459E-02 Hb(Abramov) 0.5568425E-03 Ex_ueg -0.3004338E-03 Ec_ueg -0.5619663E-04 Delta_ex -0.4705830E-03 Delta_ec 0.4187052E-03 Delta_et -0.1861291E-02 Pxc 0.5346117E+01 Qxc -0.1123901E+01 3,-1 79 3 +1 0.035248 -3.251742 0.146157 Rho 0.4615295E-02 |GRAD(Rho)| 0.6895389E-15 GRAD(Rho)x 0.7377823E-17 GRAD(Rho)y 0.6809509E-15 GRAD(Rho)z -0.1082373E-15 Laplacian 0.1684503E-01 (-1/4)Del**2(Rho)) -0.4211258E-02 Diamond 0.3130024E-03 Metallicity 0.5233679E+00 Ellipticity -0.2367474E+01 Gb(Abramov) 0.3174845E-02 Vb(Abramov) -0.2138432E-02 Hb(Abramov) 0.1036413E-02 Ex_ueg -0.5675242E-03 Ec_ueg -0.1303951E-03 Delta_ex -0.7836884E-03 Delta_ec 0.4571092E-03 Delta_et -0.2453347E-02 Pxc 0.4352342E+01 Qxc -0.1714445E+01 3,+1 80 3 +3 -1.905012 1.906551 1.943831 Rho 0.1225401E-01 |GRAD(Rho)| 0.3835198E-16 GRAD(Rho)x 0.1900494E-16 GRAD(Rho)y -0.1661723E-16 GRAD(Rho)z -0.2887134E-16 Laplacian 0.5713078E-01 (-1/4)Del**2(Rho)) -0.1428269E-01 Diamond 0.1299081E-02 Metallicity 0.7856096E+00 Ellipticity -0.6830232E+00 Gb(Abramov) 0.1139190E-01 Vb(Abramov) -0.8501105E-02 Hb(Abramov) 0.2890794E-02 Ex_ueg -0.2086521E-02 Ec_ueg -0.4713077E-03 Delta_ex -0.2526798E-02 Delta_ec 0.2112835E-03 Delta_et -0.1995302E-02 Pxc 0.4427088E+01 Qxc -0.1195927E+02 3,+3 81 3 +1 -2.191035 1.259322 1.254583 Rho 0.2638739E-01 |GRAD(Rho)| 0.8649971E-16 GRAD(Rho)x 0.8057628E-16 GRAD(Rho)y -0.2384564E-16 GRAD(Rho)z -0.2051943E-16 Laplacian 0.1042948E+00 (-1/4)Del**2(Rho)) -0.2607371E-01 Diamond 0.1556023E-01 Metallicity 0.1545294E+01 Ellipticity -0.5804633E+01 Gb(Abramov) 0.2409773E-01 Vb(Abramov) -0.2212175E-01 Hb(Abramov) 0.1975979E-02 Ex_ueg -0.5802034E-02 Ec_ueg -0.1158818E-02 Delta_ex -0.6668561E-02 Delta_ec 0.1926151E-02 Delta_et -0.1719748E-01 Pxc 0.5006857E+01 Qxc -0.3462117E+01 3,+1 82 3 +1 -2.072747 2.078485 2.121786 Rho 0.1257147E-01 |GRAD(Rho)| 0.2897202E-16 GRAD(Rho)x 0.2129223E-16 GRAD(Rho)y 0.1958039E-16 GRAD(Rho)z -0.1620757E-17 Laplacian 0.5958744E-01 (-1/4)Del**2(Rho)) -0.1489686E-01 Diamond 0.2102872E-02 Metallicity 0.7860230E+00 Ellipticity -0.1158535E+01 Gb(Abramov) 0.1188279E-01 Vb(Abramov) -0.8868712E-02 Hb(Abramov) 0.3014075E-02 Ex_ueg -0.2158903E-02 Ec_ueg -0.4860140E-03 Delta_ex -0.2845126E-02 Delta_ec 0.5590319E-03 Delta_et -0.4400244E-02 Pxc 0.4442060E+01 Qxc -0.5089380E+01 3,+1 83 3 +1 -1.826790 1.755206 -1.735825 Rho 0.1049442E-01 |GRAD(Rho)| 0.1445887E-16 GRAD(Rho)x -0.8918706E-17 GRAD(Rho)y 0.4950810E-18 GRAD(Rho)z 0.1136971E-16 Laplacian 0.4826340E-01 (-1/4)Del**2(Rho)) -0.1206585E-01 Diamond 0.1628037E-02 Metallicity 0.7182231E+00 Ellipticity -0.1312368E+01 Gb(Abramov) 0.9488228E-02 Vb(Abramov) -0.6910607E-02 Hb(Abramov) 0.2577621E-02 Ex_ueg -0.1696926E-02 Ec_ueg -0.3905200E-03 Delta_ex -0.2296788E-02 Delta_ec 0.6379331E-03 Delta_et -0.4618786E-02 Pxc 0.4345299E+01 Qxc -0.3600360E+01 3,+1 84 3 -1 -2.842153 1.810654 -0.508840 Rho 0.2002916E+00 |GRAD(Rho)| 0.5491692E-15 GRAD(Rho)x -0.1518154E-15 GRAD(Rho)y -0.3681951E-15 GRAD(Rho)z -0.3781155E-15 Laplacian 0.7972580E+00 (-1/4)Del**2(Rho)) -0.1993145E+00 Diamond 0.2251971E+01 Metallicity 0.5926327E+01 Ellipticity 0.1574306E-01 Gb(Abramov) 0.3297435E+00 Vb(Abramov) -0.4601725E+00 Hb(Abramov) -0.1304290E+00 Ex_ueg -0.8655034E-01 Ec_ueg -0.1173753E-01 Delta_ex -0.9181466E-01 Delta_ec 0.1834457E-01 Delta_et -0.2508035E+00 Pxc 0.7373810E+01 Qxc -0.5005005E+01 3,-1 85 3 +3 -1.190281 1.115062 -1.142316 Rho 0.4849117E-02 |GRAD(Rho)| 0.6851991E-16 GRAD(Rho)x -0.6672905E-16 GRAD(Rho)y 0.2128619E-17 GRAD(Rho)z 0.1541687E-16 Laplacian 0.1831902E-01 (-1/4)Del**2(Rho)) -0.4579756E-02 Diamond 0.1226885E-03 Metallicity 0.5225749E+00 Ellipticity -0.3742215E+00 Gb(Abramov) 0.3452048E-02 Vb(Abramov) -0.2324340E-02 Hb(Abramov) 0.1127708E-02 Ex_ueg -0.6061804E-03 Ec_ueg -0.1404255E-03 Delta_ex -0.6275708E-03 Delta_ec 0.8072750E-04 Delta_et -0.6356387E-03 Pxc 0.4316741E+01 Qxc -0.7773941E+01 3,+3 86 3 -1 -3.007283 2.015479 0.895684 Rho 0.1169623E+00 |GRAD(Rho)| 0.2181591E-15 GRAD(Rho)x 0.1407430E-16 GRAD(Rho)y -0.4805726E-16 GRAD(Rho)z -0.2123342E-15 Laplacian 0.4557699E+00 (-1/4)Del**2(Rho)) -0.1139425E+00 Diamond 0.6847330E+00 Metallicity 0.4229389E+01 Ellipticity 0.2669819E-01 Gb(Abramov) 0.1562795E+00 Vb(Abramov) -0.1986165E+00 Hb(Abramov) -0.4233702E-01 Ex_ueg -0.4224544E-01 Ec_ueg -0.6363563E-02 Delta_ex -0.4608576E-01 Delta_ec 0.1227015E-01 Delta_et -0.1569914E+00 Pxc 0.6638646E+01 Qxc -0.3755926E+01 3,-1 87 3 +1 -2.264541 -1.072219 -1.535686 Rho 0.2664615E-01 |GRAD(Rho)| 0.1068813E-15 GRAD(Rho)x -0.4502266E-16 GRAD(Rho)y 0.5127519E-16 GRAD(Rho)z 0.8226439E-16 Laplacian 0.1025051E+00 (-1/4)Del**2(Rho)) -0.2562628E-01 Diamond 0.1293317E-01 Metallicity 0.1598055E+01 Ellipticity -0.2515177E+01 Gb(Abramov) 0.2390955E-01 Vb(Abramov) -0.2219283E-01 Hb(Abramov) 0.1716724E-02 Ex_ueg -0.5878020E-02 Ec_ueg -0.1171947E-02 Delta_ex -0.6315046E-02 Delta_ec 0.1435985E-02 Delta_et -0.1293015E-01 Pxc 0.5015601E+01 Qxc -0.4397710E+01 3,+1 88 3 +3 0.016094 -0.064942 2.282462 Rho 0.4337372E-02 |GRAD(Rho)| 0.8090312E-15 GRAD(Rho)x -0.3848204E-15 GRAD(Rho)y 0.4079773E-15 GRAD(Rho)z -0.5830945E-15 Laplacian 0.1764513E-01 (-1/4)Del**2(Rho)) -0.4411282E-02 Diamond 0.1253591E-03 Metallicity 0.4505049E+00 Ellipticity -0.3672965E+00 Gb(Abramov) 0.3272072E-02 Vb(Abramov) -0.2132862E-02 Hb(Abramov) 0.1139210E-02 Ex_ueg -0.5224210E-03 Ec_ueg -0.1185096E-03 Delta_ex -0.6129865E-03 Delta_ec 0.1256511E-03 Delta_et -0.8299631E-03 Pxc 0.4408258E+01 Qxc -0.4878481E+01 3,+3 89 3 -1 -1.828086 2.809261 -0.544818 Rho 0.1718897E+00 |GRAD(Rho)| 0.6596777E-14 GRAD(Rho)x -0.4885415E-14 GRAD(Rho)y -0.1109708E-14 GRAD(Rho)z 0.4291706E-14 Laplacian 0.6965967E+00 (-1/4)Del**2(Rho)) -0.1741492E+00 Diamond 0.1648192E+01 Metallicity 0.5256720E+01 Ellipticity 0.1933707E-01 Gb(Abramov) 0.2686750E+00 Vb(Abramov) -0.3632009E+00 Hb(Abramov) -0.9452585E-01 Ex_ueg -0.7058594E-01 Ec_ueg -0.9859198E-02 Delta_ex -0.7725915E-01 Delta_ec 0.1686098E-01 Delta_et -0.2277706E+00 Pxc 0.7159400E+01 Qxc -0.4582128E+01 3,-1 90 3 -1 -2.010766 2.991267 0.887170 Rho 0.1102751E+00 |GRAD(Rho)| 0.6959332E-13 GRAD(Rho)x 0.2424208E-13 GRAD(Rho)y -0.6375995E-13 GRAD(Rho)z -0.1379201E-13 Laplacian 0.4363408E+00 (-1/4)Del**2(Rho)) -0.1090852E+00 Diamond 0.6055271E+00 Metallicity 0.4004818E+01 Ellipticity 0.2597925E-01 Gb(Abramov) 0.1455345E+00 Vb(Abramov) -0.1819839E+00 Hb(Abramov) -0.3644933E-01 Ex_ueg -0.3905603E-01 Ec_ueg -0.5951574E-02 Delta_ex -0.4343268E-01 Delta_ec 0.1176821E-01 Delta_et -0.1487660E+00 Pxc 0.6562302E+01 Qxc -0.3690677E+01 3,-1 91 3 -1 0.540091 1.678493 -1.798677 Rho 0.4649296E-01 |GRAD(Rho)| 0.8786696E-14 GRAD(Rho)x 0.3063475E-14 GRAD(Rho)y -0.4498226E-14 GRAD(Rho)z 0.6898341E-14 Laplacian 0.1974304E+00 (-1/4)Del**2(Rho)) -0.4935759E-01 Diamond 0.9761190E-01 Metallicity 0.2098189E+01 Ellipticity 0.1545764E-01 Gb(Abramov) 0.5016532E-01 Vb(Abramov) -0.5097304E-01 Hb(Abramov) -0.8077262E-03 Ex_ueg -0.1234719E-01 Ec_ueg -0.2221955E-02 Delta_ex -0.1628695E-01 Delta_ec 0.6475085E-02 Delta_et -0.6711940E-01 Pxc 0.5556903E+01 Qxc -0.2515327E+01 3,-1 92 3 -1 -1.850078 -0.531413 2.862036 Rho 0.1636946E+00 |GRAD(Rho)| 0.2118242E-15 GRAD(Rho)x -0.1569654E-15 GRAD(Rho)y -0.8231805E-16 GRAD(Rho)z 0.1159961E-15 Laplacian 0.6724849E+00 (-1/4)Del**2(Rho)) -0.1681212E+00 Diamond 0.1499321E+01 Metallicity 0.5019433E+01 Ellipticity 0.1389601E-01 Gb(Abramov) 0.2527263E+00 Vb(Abramov) -0.3373315E+00 Hb(Abramov) -0.8460513E-01 Ex_ueg -0.6613494E-01 Ec_ueg -0.9325854E-02 Delta_ex -0.7366922E-01 Delta_ec 0.1646602E-01 Delta_et -0.2211370E+00 Pxc 0.7091569E+01 Qxc -0.4474015E+01 3,-1 93 3 +3 -2.355156 -0.019715 0.016156 Rho 0.4692426E-02 |GRAD(Rho)| 0.5146642E-17 GRAD(Rho)x 0.3060129E-20 GRAD(Rho)y -0.4505109E-17 GRAD(Rho)z 0.2488355E-17 Laplacian 0.1909200E-01 (-1/4)Del**2(Rho)) -0.4773000E-02 Diamond 0.1602983E-03 Metallicity 0.4747054E+00 Ellipticity -0.5328322E+00 Gb(Abramov) 0.3559628E-02 Vb(Abramov) -0.2346256E-02 Hb(Abramov) 0.1213372E-02 Ex_ueg -0.5802053E-03 Ec_ueg -0.1337007E-03 Delta_ex -0.6865896E-03 Delta_ec 0.1527946E-03 Delta_et -0.9965868E-03 Pxc 0.4339581E+01 Qxc -0.4493547E+01 3,+3 94 3 -1 -1.748064 0.532974 1.755798 Rho 0.4266491E-01 |GRAD(Rho)| 0.3678470E-16 GRAD(Rho)x -0.1887316E-16 GRAD(Rho)y -0.1866543E-16 GRAD(Rho)z 0.2546605E-16 Laplacian 0.1647936E+00 (-1/4)Del**2(Rho)) -0.4119839E-01 Diamond 0.6612211E-01 Metallicity 0.2178333E+01 Ellipticity 0.1272791E-01 Gb(Abramov) 0.4242290E-01 Vb(Abramov) -0.4364740E-01 Hb(Abramov) -0.1224506E-02 Ex_ueg -0.1101065E-01 Ec_ueg -0.2013620E-02 Delta_ex -0.1297202E-01 Delta_ec 0.4800844E-02 Delta_et -0.4852706E-01 Pxc 0.5468084E+01 Qxc -0.2702030E+01 3,-1 95 3 -1 -2.019816 0.866345 3.051674 Rho 0.1347521E+00 |GRAD(Rho)| 0.2653277E-12 GRAD(Rho)x -0.1583592E-12 GRAD(Rho)y -0.1932722E-12 GRAD(Rho)z -0.8925829E-13 Laplacian 0.5251531E+00 (-1/4)Del**2(Rho)) -0.1312883E+00 Diamond 0.9332502E+00 Metallicity 0.4647504E+01 Ellipticity 0.3515539E-01 Gb(Abramov) 0.1892193E+00 Vb(Abramov) -0.2471504E+00 Hb(Abramov) -0.5793105E-01 Ex_ueg -0.5102298E-01 Ec_ueg -0.7474695E-02 Delta_ex -0.5491272E-01 Delta_ec 0.1362946E-01 Delta_et -0.1784815E+00 Pxc 0.6826095E+01 Qxc -0.4028973E+01 3,-1 96 3 -1 -1.882949 -2.819751 0.627016 Rho 0.1157933E+00 |GRAD(Rho)| 0.3282479E-15 GRAD(Rho)x -0.1803570E-15 GRAD(Rho)y 0.2916504E-16 GRAD(Rho)z -0.2727040E-15 Laplacian 0.4936699E+00 (-1/4)Del**2(Rho)) -0.1234175E+00 Diamond 0.7552464E+00 Metallicity 0.3839860E+01 Ellipticity 0.2574191E-01 Gb(Abramov) 0.1612626E+00 Vb(Abramov) -0.1991077E+00 Hb(Abramov) -0.3784513E-01 Ex_ueg -0.4168336E-01 Ec_ueg -0.6291306E-02 Delta_ex -0.5011536E-01 Delta_ec 0.1388606E-01 Delta_et -0.1782266E+00 Pxc 0.6625550E+01 Qxc -0.3609040E+01 3,-1 97 3 +3 -0.064311 -2.462219 -0.175814 Rho 0.3306169E-02 |GRAD(Rho)| 0.2182657E-16 GRAD(Rho)x 0.1182804E-16 GRAD(Rho)y 0.1694254E-16 GRAD(Rho)z 0.7031856E-17 Laplacian 0.1247930E-01 (-1/4)Del**2(Rho)) -0.3119826E-02 Diamond 0.6102479E-04 Metallicity 0.4051644E+00 Ellipticity -0.1869563E+00 Gb(Abramov) 0.2290558E-02 Vb(Abramov) -0.1461290E-02 Hb(Abramov) 0.8292683E-03 Ex_ueg -0.3637630E-03 Ec_ueg -0.7476485E-04 Delta_ex -0.4034863E-03 Delta_ec 0.8796640E-04 Delta_et -0.5481887E-03 Pxc 0.4865428E+01 Qxc -0.4586823E+01 3,+3 98 3 +1 -0.618674 0.503798 -1.698909 Rho 0.8601463E-02 |GRAD(Rho)| 0.3193261E-15 GRAD(Rho)x 0.2582294E-15 GRAD(Rho)y 0.4662988E-16 GRAD(Rho)z 0.1819681E-15 Laplacian 0.3235093E-01 (-1/4)Del**2(Rho)) -0.8087732E-02 Diamond 0.8972520E-03 Metallicity 0.7691546E+00 Ellipticity -0.1535995E+01 Gb(Abramov) 0.6428608E-02 Vb(Abramov) -0.4769483E-02 Hb(Abramov) 0.1659125E-02 Ex_ueg -0.1301612E-02 Ec_ueg -0.3050456E-03 Delta_ex -0.1492080E-02 Delta_ec 0.4804035E-03 Delta_et -0.3263230E-02 Pxc 0.4266942E+01 Qxc -0.3105888E+01 3,+1 99 3 +1 -1.298054 2.185622 1.200314 Rho 0.2687843E-01 |GRAD(Rho)| 0.3900872E-16 GRAD(Rho)x 0.8527855E-17 GRAD(Rho)y -0.3087512E-16 GRAD(Rho)z -0.2226393E-16 Laplacian 0.1067053E+00 (-1/4)Del**2(Rho)) -0.2667633E-01 Diamond 0.1612661E-01 Metallicity 0.1557520E+01 Ellipticity -0.5259544E+01 Gb(Abramov) 0.2470904E-01 Vb(Abramov) -0.2274175E-01 Hb(Abramov) 0.1967290E-02 Ex_ueg -0.5946438E-02 Ec_ueg -0.1183747E-02 Delta_ex -0.6836146E-02 Delta_ec 0.1935112E-02 Delta_et -0.1736293E-01 Pxc 0.5023401E+01 Qxc -0.3532688E+01 3,+1 100 3 +1 0.179997 3.067912 -0.152040 Rho 0.5337085E-02 |GRAD(Rho)| 0.1653088E-16 GRAD(Rho)x -0.2168013E-17 GRAD(Rho)y -0.1526080E-16 GRAD(Rho)z -0.5973078E-17 Laplacian 0.2080509E-01 (-1/4)Del**2(Rho)) -0.5201272E-02 Diamond 0.4419586E-03 Metallicity 0.5398633E+00 Ellipticity -0.1948071E+01 Gb(Abramov) 0.3935511E-02 Vb(Abramov) -0.2669749E-02 Hb(Abramov) 0.1265761E-02 Ex_ueg -0.6888488E-03 Ec_ueg -0.1614477E-03 Delta_ex -0.9729246E-03 Delta_ec 0.5218539E-03 Delta_et -0.2943611E-02 Pxc 0.4266700E+01 Qxc -0.1864362E+01 3,+1 101 3 +3 0.074789 2.301419 -0.041897 Rho 0.4172991E-02 |GRAD(Rho)| 0.1402354E-15 GRAD(Rho)x 0.7423868E-16 GRAD(Rho)y -0.3702616E-16 GRAD(Rho)z 0.1130648E-15 Laplacian 0.1680086E-01 (-1/4)Del**2(Rho)) -0.4200214E-02 Diamond 0.1170292E-03 Metallicity 0.4436367E+00 Ellipticity -0.4031751E+00 Gb(Abramov) 0.3110704E-02 Vb(Abramov) -0.2021194E-02 Hb(Abramov) 0.1089510E-02 Ex_ueg -0.4961904E-03 Ec_ueg -0.1114987E-03 Delta_ex -0.5822291E-03 Delta_ec 0.1276043E-03 Delta_et -0.8211989E-03 Pxc 0.4450190E+01 Qxc -0.4562772E+01 3,+3 102 3 +1 0.151406 -0.184998 3.082511 Rho 0.5772581E-02 |GRAD(Rho)| 0.4258912E-17 GRAD(Rho)x 0.2870018E-17 GRAD(Rho)y 0.3141713E-17 GRAD(Rho)z 0.1759662E-18 Laplacian 0.2316286E-01 (-1/4)Del**2(Rho)) -0.5790715E-02 Diamond 0.5562719E-03 Metallicity 0.5526342E+00 Ellipticity -0.2011793E+01 Gb(Abramov) 0.4393834E-02 Vb(Abramov) -0.2996954E-02 Hb(Abramov) 0.1396880E-02 Ex_ueg -0.7647951E-03 Ec_ueg -0.1803101E-03 Delta_ex -0.1108433E-02 Delta_ec 0.5938182E-03 Delta_et -0.3420707E-02 Pxc 0.4241554E+01 Qxc -0.1866621E+01 3,+1 103 3 +1 1.324454 2.182721 -1.157657 Rho 0.2336663E-01 |GRAD(Rho)| 0.4678089E-16 GRAD(Rho)x -0.1128746E-18 GRAD(Rho)y -0.1585818E-16 GRAD(Rho)z -0.4401087E-16 Laplacian 0.8409793E-01 (-1/4)Del**2(Rho)) -0.2102448E-01 Diamond 0.1003415E-01 Metallicity 0.1564905E+01 Ellipticity -0.5102562E+01 Gb(Abramov) 0.1949987E-01 Vb(Abramov) -0.1797527E-01 Hb(Abramov) 0.1524609E-02 Ex_ueg -0.4933780E-02 Ec_ueg -0.1006833E-02 Delta_ex -0.5138492E-02 Delta_ec 0.1429569E-02 Delta_et -0.1241047E-01 Pxc 0.4900295E+01 Qxc -0.3594434E+01 3,+1 104 3 -1 -0.778950 -3.633408 -1.260143 Rho 0.3055907E+00 |GRAD(Rho)| 0.4559595E-15 GRAD(Rho)x 0.2423395E-15 GRAD(Rho)y -0.2360120E-15 GRAD(Rho)z 0.3057270E-15 Laplacian -0.1512049E+01 (-1/4)Del**2(Rho)) 0.3780123E+00 Diamond 0.5054672E+01 Metallicity -0.6318501E+01 Ellipticity 0.2120598E-02 Gb(Abramov) 0.1460703E+00 Vb(Abramov) -0.6701529E+00 Hb(Abramov) -0.5240826E+00 Ex_ueg -0.1520216E+00 Ec_ueg -0.1909117E-01 Delta_ex 0.1476587E+00 Delta_ec 0.5313776E-01 Delta_et -0.1236326E+01 Pxc 0.7962926E+01 Qxc 0.2778791E+01 3,-1 105 3 -1 0.510304 -1.783871 1.732978 Rho 0.4275045E-01 |GRAD(Rho)| 0.5502262E-15 GRAD(Rho)x 0.5156504E-16 GRAD(Rho)y 0.4995364E-15 GRAD(Rho)z -0.2248407E-15 Laplacian 0.1800561E+00 (-1/4)Del**2(Rho)) -0.4501402E-01 Diamond 0.7934615E-01 Metallicity 0.2000352E+01 Ellipticity 0.1827465E-01 Gb(Abramov) 0.4501667E-01 Vb(Abramov) -0.4501931E-01 Hb(Abramov) -0.2642863E-05 Ex_ueg -0.1104009E-01 Ec_ueg -0.2018249E-02 Delta_ex -0.1454717E-01 Delta_ec 0.5899981E-02 Delta_et -0.5977691E-01 Pxc 0.5470133E+01 Qxc -0.2465630E+01 3,-1 106 3 -1 -0.579605 1.796006 -2.835000 Rho 0.1336348E+00 |GRAD(Rho)| 0.1017772E-15 GRAD(Rho)x -0.4475044E-16 GRAD(Rho)y 0.2599375E-16 GRAD(Rho)z -0.8763742E-16 Laplacian 0.5700328E+00 (-1/4)Del**2(Rho)) -0.1425082E+00 Diamond 0.1021832E+01 Metallicity 0.4222595E+01 Ellipticity 0.5955382E-02 Gb(Abramov) 0.1952979E+00 Vb(Abramov) -0.2480876E+00 Hb(Abramov) -0.5278968E-01 Ex_ueg -0.5045970E-01 Ec_ueg -0.7404290E-02 Delta_ex -0.5970516E-01 Delta_ec 0.1521627E-01 Delta_et -0.1997666E+00 Pxc 0.6814928E+01 Qxc -0.3923771E+01 3,-1 107 3 -1 -0.520912 1.735967 1.740869 Rho 0.4468774E-01 |GRAD(Rho)| 0.3269504E-14 GRAD(Rho)x 0.1041477E-14 GRAD(Rho)y 0.2334312E-14 GRAD(Rho)z 0.2038619E-14 Laplacian 0.1748361E+00 (-1/4)Del**2(Rho)) -0.4370902E-01 Diamond 0.7540495E-01 Metallicity 0.2218006E+01 Ellipticity 0.1961663E-01 Gb(Abramov) 0.4529716E-01 Vb(Abramov) -0.4688529E-01 Hb(Abramov) -0.1588137E-02 Ex_ueg -0.1171214E-01 Ec_ueg -0.2123407E-02 Delta_ex -0.1395781E-01 Delta_ec 0.5153543E-02 Delta_et -0.5274735E-01 Pxc 0.5515730E+01 Qxc -0.2708391E+01 3,-1 108 3 +1 -1.230867 1.241595 2.205723 Rho 0.2571062E-01 |GRAD(Rho)| 0.6139604E-14 GRAD(Rho)x -0.6885180E-15 GRAD(Rho)y 0.2492545E-14 GRAD(Rho)z 0.5568473E-14 Laplacian 0.1013065E+00 (-1/4)Del**2(Rho)) -0.2532663E-01 Diamond 0.1455015E-01 Metallicity 0.1523456E+01 Ellipticity -0.5355011E+01 Gb(Abramov) 0.2331509E-01 Vb(Abramov) -0.2130354E-01 Hb(Abramov) 0.2011541E-02 Ex_ueg -0.5604476E-02 Ec_ueg -0.1124559E-02 Delta_ex -0.6429615E-02 Delta_ec 0.1864624E-02 Delta_et -0.1654153E-01 Pxc 0.4983711E+01 Qxc -0.3448209E+01 3,+1 109 3 +1 0.533489 0.455021 1.681012 Rho 0.7498357E-02 |GRAD(Rho)| 0.7285871E-17 GRAD(Rho)x 0.4189813E-17 GRAD(Rho)y 0.2388273E-17 GRAD(Rho)z -0.5461276E-17 Laplacian 0.2936917E-01 (-1/4)Del**2(Rho)) -0.7342291E-02 Diamond 0.6585934E-03 Metallicity 0.6740081E+00 Ellipticity -0.1397870E+01 Gb(Abramov) 0.5719655E-02 Vb(Abramov) -0.4097018E-02 Hb(Abramov) 0.1622636E-02 Ex_ueg -0.1083943E-02 Ec_ueg -0.2559625E-03 Delta_ex -0.1299712E-02 Delta_ec 0.4195029E-03 Delta_et -0.2762290E-02 Pxc 0.4234774E+01 Qxc -0.3098218E+01 3,+1 110 3 -1 -0.593125 -1.798342 2.867139 Rho 0.9876231E-01 |GRAD(Rho)| 0.1734999E-15 GRAD(Rho)x -0.1582867E-15 GRAD(Rho)y 0.6812178E-16 GRAD(Rho)z -0.2017294E-16 Laplacian 0.4276677E+00 (-1/4)Del**2(Rho)) -0.1069169E+00 Diamond 0.5450063E+00 Metallicity 0.3400104E+01 Ellipticity 0.1167165E-01 Gb(Abramov) 0.1318660E+00 Vb(Abramov) -0.1568152E+00 Hb(Abramov) -0.2494913E-01 Ex_ueg -0.3371631E-01 Ec_ueg -0.5250138E-02 Delta_ex -0.4192265E-01 Delta_ec 0.1261147E-01 Delta_et -0.1570532E+00 Pxc 0.6421985E+01 Qxc -0.3324169E+01 3,-1 111 3 +1 0.573328 1.696887 0.469996 Rho 0.6990023E-02 |GRAD(Rho)| 0.1868620E-14 GRAD(Rho)x -0.1453689E-14 GRAD(Rho)y -0.1174093E-14 GRAD(Rho)z -0.5854062E-17 Laplacian 0.2664707E-01 (-1/4)Del**2(Rho)) -0.6661767E-02 Diamond 0.5545318E-03 Metallicity 0.6608376E+00 Ellipticity -0.1421450E+01 Gb(Abramov) 0.5174903E-02 Vb(Abramov) -0.3688038E-02 Hb(Abramov) 0.1486865E-02 Ex_ueg -0.9870896E-03 Ec_ueg -0.2335318E-03 Delta_ex -0.1165611E-02 Delta_ec 0.3926756E-03 Delta_et -0.2528531E-02 Pxc 0.4226788E+01 Qxc -0.2968382E+01 3,+1 112 3 -1 -0.857638 2.007836 3.036070 Rho 0.1233276E+00 |GRAD(Rho)| 0.2478215E-12 GRAD(Rho)x 0.1809346E-12 GRAD(Rho)y 0.1294284E-12 GRAD(Rho)z -0.1092083E-12 Laplacian 0.4875564E+00 (-1/4)Del**2(Rho)) -0.1218891E+00 Diamond 0.7765866E+00 Metallicity 0.4318725E+01 Ellipticity 0.3582050E-01 Gb(Abramov) 0.1689937E+00 Vb(Abramov) -0.2160982E+00 Hb(Abramov) -0.4710456E-01 Ex_ueg -0.4533833E-01 Ec_ueg -0.6758662E-02 Delta_ex -0.4987406E-01 Delta_ec 0.1286984E-01 Delta_et -0.1660270E+00 Pxc 0.6708182E+01 Qxc -0.3875266E+01 3,-1 113 3 -1 -0.563784 2.796404 -1.816253 Rho 0.8643488E-01 |GRAD(Rho)| 0.3023844E-15 GRAD(Rho)x 0.2833901E-15 GRAD(Rho)y -0.4651566E-16 GRAD(Rho)z -0.9467118E-16 Laplacian 0.3714638E+00 (-1/4)Del**2(Rho)) -0.9286594E-01 Diamond 0.4029269E+00 Metallicity 0.3134573E+01 Ellipticity 0.1129787E-01 Gb(Abramov) 0.1104265E+00 Vb(Abramov) -0.1279870E+00 Hb(Abramov) -0.1756053E-01 Ex_ueg -0.2822520E-01 Ec_ueg -0.4510936E-02 Delta_ex -0.3532618E-01 Delta_ec 0.1126517E-01 Delta_et -0.1363170E+00 Pxc 0.6257061E+01 Qxc -0.3135876E+01 3,-1 114 3 -1 -0.858531 3.006964 2.049931 Rho 0.1439119E+00 |GRAD(Rho)| 0.7592682E-12 GRAD(Rho)x 0.5701452E-12 GRAD(Rho)y -0.3229588E-12 GRAD(Rho)z 0.3835626E-12 Laplacian 0.5587240E+00 (-1/4)Del**2(Rho)) -0.1396810E+00 Diamond 0.1074979E+01 Metallicity 0.4874280E+01 Ellipticity 0.3986107E-01 Gb(Abramov) 0.2065947E+00 Vb(Abramov) -0.2735084E+00 Hb(Abramov) -0.6691372E-01 Ex_ueg -0.5569900E-01 Ec_ueg -0.8054935E-02 Delta_ex -0.5937107E-01 Delta_ec 0.1427857E-01 Delta_et -0.1888619E+00 Pxc 0.6914891E+01 Qxc -0.4158053E+01 3,-1 115 3 -1 -0.561151 -0.521778 -0.529846 Rho 0.1871325E+00 |GRAD(Rho)| 0.1337471E-11 GRAD(Rho)x 0.8414450E-12 GRAD(Rho)y 0.7418649E-12 GRAD(Rho)z 0.7283098E-12 Laplacian 0.4945349E+00 (-1/4)Del**2(Rho)) -0.1236337E+00 Diamond 0.1311611E+01 Metallicity 0.8530966E+01 Ellipticity 0.2518875E-01 Gb(Abramov) 0.2582083E+00 Vb(Abramov) -0.3927829E+00 Hb(Abramov) -0.1345746E+00 Ex_ueg -0.7905281E-01 Ec_ueg -0.1086157E-01 Delta_ex -0.5615353E-01 Delta_ec 0.1191327E-01 Delta_et -0.1630000E+00 Pxc 0.7278214E+01 Qxc -0.4713527E+01 3,-1 116 3 -1 -0.495068 0.436434 0.428927 Rho 0.1668358E+00 |GRAD(Rho)| 0.2076457E-15 GRAD(Rho)x -0.6591949E-16 GRAD(Rho)y 0.1908196E-15 GRAD(Rho)z 0.4857226E-16 Laplacian 0.4044234E+00 (-1/4)Del**2(Rho)) -0.1011059E+00 Diamond 0.9535867E+00 Metallicity 0.8615076E+01 Ellipticity 0.3858757E-02 Gb(Abramov) 0.2125763E+00 Vb(Abramov) -0.3240468E+00 Hb(Abramov) -0.1114705E+00 Ex_ueg -0.6783245E-01 Ec_ueg -0.9529821E-02 Delta_ex -0.4478317E-01 Delta_ec 0.1033399E-01 Delta_et -0.1404023E+00 Pxc 0.7117914E+01 Qxc -0.4333580E+01 3,-1 117 3 +3 1.079021 1.108804 1.073542 Rho 0.4335048E-02 |GRAD(Rho)| 0.5925248E-12 GRAD(Rho)x 0.1488038E-13 GRAD(Rho)y -0.5905802E-12 GRAD(Rho)z -0.4559901E-13 Laplacian 0.1676630E-01 (-1/4)Del**2(Rho)) -0.4191575E-02 Diamond 0.1061034E-03 Metallicity 0.4736952E+00 Ellipticity -0.3144391E+00 Gb(Abramov) 0.3125305E-02 Vb(Abramov) -0.2059035E-02 Hb(Abramov) 0.1066270E-02 Ex_ueg -0.5220477E-03 Ec_ueg -0.1184104E-03 Delta_ex -0.5678569E-03 Delta_ec 0.9347347E-04 Delta_et -0.6642997E-03 Pxc 0.4408800E+01 Qxc -0.6075060E+01 3,+3 118 3 -1 0.038093 -3.593683 -1.203358 Rho 0.3779886E-01 |GRAD(Rho)| 0.6325022E-16 GRAD(Rho)x 0.5262920E-16 GRAD(Rho)y -0.3416576E-16 GRAD(Rho)z -0.7966087E-17 Laplacian 0.1069417E+00 (-1/4)Del**2(Rho)) -0.2673543E-01 Diamond 0.5612779E-01 Metallicity 0.2743240E+01 Ellipticity 0.8170539E-02 Gb(Abramov) 0.3004724E-01 Vb(Abramov) -0.3335905E-01 Hb(Abramov) -0.3311809E-02 Ex_ueg -0.9368932E-02 Ec_ueg -0.1752468E-02 Delta_ex -0.9403143E-02 Delta_ec 0.5323107E-02 Delta_et -0.5226460E-01 Pxc 0.5346135E+01 Qxc -0.1766477E+01 3,-1 119 3 +3 2.395118 -0.009138 -0.014610 Rho 0.3683181E-02 |GRAD(Rho)| 0.6717576E-14 GRAD(Rho)x -0.5004485E-14 GRAD(Rho)y 0.3101361E-14 GRAD(Rho)z -0.3234581E-14 Laplacian 0.1481331E-01 (-1/4)Del**2(Rho)) -0.3703328E-02 Diamond 0.1137550E-03 Metallicity 0.4086323E+00 Ellipticity -0.2191384E+00 Gb(Abramov) 0.2721102E-02 Vb(Abramov) -0.1738876E-02 Hb(Abramov) 0.9822261E-03 Ex_ueg -0.4200965E-03 Ec_ueg -0.9069242E-04 Delta_ex -0.5342353E-03 Delta_ec 0.1789232E-03 Delta_et -0.1005101E-02 Pxc 0.4632102E+01 Qxc -0.2985835E+01 3,+3 120 3 -1 0.427209 -0.537764 0.409483 Rho 0.1741754E+00 |GRAD(Rho)| 0.4817105E-12 GRAD(Rho)x -0.2764594E-12 GRAD(Rho)y 0.2733161E-12 GRAD(Rho)z -0.2844530E-12 Laplacian 0.4362582E+00 (-1/4)Del**2(Rho)) -0.1090646E+00 Diamond 0.1079839E+01 Metallicity 0.8580528E+01 Ellipticity 0.3344401E-02 Gb(Abramov) 0.2286816E+00 Vb(Abramov) -0.3482987E+00 Hb(Abramov) -0.1196171E+00 Ex_ueg -0.7184017E-01 Ec_ueg -0.1000865E-01 Delta_ex -0.4879984E-01 Delta_ec 0.1097661E-01 Delta_et -0.1498040E+00 Pxc 0.7177807E+01 Qxc -0.4445802E+01 3,-1 121 3 -1 0.544880 1.807723 2.811797 Rho 0.1580905E+00 |GRAD(Rho)| 0.2349357E-12 GRAD(Rho)x -0.1768497E-12 GRAD(Rho)y -0.4118968E-13 GRAD(Rho)z 0.1490717E-12 Laplacian 0.6508042E+00 (-1/4)Del**2(Rho)) -0.1627011E+00 Diamond 0.1393752E+01 Metallicity 0.4894096E+01 Ellipticity 0.2111985E-01 Gb(Abramov) 0.2411798E+00 Vb(Abramov) -0.3196585E+00 Hb(Abramov) -0.7847874E-01 Ex_ueg -0.6313344E-01 Ec_ueg -0.8963419E-02 Delta_ex -0.7069967E-01 Delta_ec 0.1611435E-01 Delta_et -0.2155815E+00 Pxc 0.7043456E+01 Qxc -0.4387374E+01 3,-1 122 3 -1 0.881314 -3.067835 2.104969 Rho 0.1409853E+00 |GRAD(Rho)| 0.3121964E-15 GRAD(Rho)x 0.1345224E-15 GRAD(Rho)y -0.2768917E-15 GRAD(Rho)z -0.5197394E-16 Laplacian 0.5666978E+00 (-1/4)Del**2(Rho)) -0.1416745E+00 Diamond 0.1083808E+01 Metallicity 0.4643922E+01 Ellipticity 0.3622238E-01 Gb(Abramov) 0.2041038E+00 Vb(Abramov) -0.2665332E+00 Hb(Abramov) -0.6242937E-01 Ex_ueg -0.5419389E-01 Ec_ueg -0.7868967E-02 Delta_ex -0.6013404E-01 Delta_ec 0.1494312E-01 Delta_et -0.1978741E+00 Pxc 0.6887040E+01 Qxc -0.4024197E+01 3,-1 123 3 -1 0.851157 -1.962179 3.079252 Rho 0.1074440E+00 |GRAD(Rho)| 0.2584211E-15 GRAD(Rho)x 0.1895727E-15 GRAD(Rho)y 0.1168905E-16 GRAD(Rho)z 0.1752342E-15 Laplacian 0.4437533E+00 (-1/4)Del**2(Rho)) -0.1109383E+00 Diamond 0.6192493E+00 Metallicity 0.3770871E+01 Ellipticity 0.1524196E-01 Gb(Abramov) 0.1436812E+00 Vb(Abramov) -0.1764242E+00 Hb(Abramov) -0.3274292E-01 Ex_ueg -0.3772488E-01 Ec_ueg -0.5778147E-02 Delta_ex -0.4424866E-01 Delta_ec 0.1266154E-01 Delta_et -0.1601555E+00 Pxc 0.6528889E+01 Qxc -0.3494730E+01 3,-1 124 3 +1 1.620664 -0.613340 -0.612103 Rho 0.8291818E-02 |GRAD(Rho)| 0.5550470E-17 GRAD(Rho)x 0.2106994E-18 GRAD(Rho)y 0.2050151E-17 GRAD(Rho)z 0.5153659E-17 Laplacian 0.3175505E-01 (-1/4)Del**2(Rho)) -0.7938763E-02 Diamond 0.8296657E-03 Metallicity 0.7371399E+00 Ellipticity -0.1481710E+01 Gb(Abramov) 0.6267838E-02 Vb(Abramov) -0.4596914E-02 Hb(Abramov) 0.1670924E-02 Ex_ueg -0.1239514E-02 Ec_ueg -0.2912124E-03 Delta_ex -0.1447349E-02 Delta_ec 0.4646498E-03 Delta_et -0.3131541E-02 Pxc 0.4256392E+01 Qxc -0.3114924E+01 3,+1 125 3 -1 0.925475 2.018338 -3.094779 Rho 0.1426885E+00 |GRAD(Rho)| 0.1093668E-13 GRAD(Rho)x 0.4872052E-14 GRAD(Rho)y -0.8565807E-14 GRAD(Rho)z 0.4743534E-14 Laplacian 0.5707077E+00 (-1/4)Del**2(Rho)) -0.1426769E+00 Diamond 0.1106458E+01 Metallicity 0.4704512E+01 Ellipticity 0.4315726E-01 Gb(Abramov) 0.2069888E+00 Vb(Abramov) -0.2713007E+00 Hb(Abramov) -0.6431191E-01 Ex_ueg -0.5506858E-01 Ec_ueg -0.7977130E-02 Delta_ex -0.6072700E-01 Delta_ec 0.1498851E-01 Delta_et -0.1988073E+00 Pxc 0.6903306E+01 Qxc -0.4051569E+01 3,-1 126 3 -1 0.551300 2.823808 1.851709 Rho 0.1757436E+00 |GRAD(Rho)| 0.1151119E-13 GRAD(Rho)x 0.1126540E-14 GRAD(Rho)y -0.5418883E-14 GRAD(Rho)z -0.1009327E-13 Laplacian 0.7137677E+00 (-1/4)Del**2(Rho)) -0.1784419E+00 Diamond 0.1734432E+01 Metallicity 0.5323396E+01 Ellipticity 0.1779975E-01 Gb(Abramov) 0.2772808E+00 Vb(Abramov) -0.3761196E+00 Hb(Abramov) -0.9883886E-01 Ex_ueg -0.7270390E-01 Ec_ueg -0.1011137E-01 Delta_ex -0.7960595E-01 Delta_ec 0.1717714E-01 Delta_et -0.2326013E+00 Pxc 0.7190313E+01 Qxc -0.4634411E+01 3,-1 127 3 -1 0.855607 3.040460 -2.021584 Rho 0.1135729E+00 |GRAD(Rho)| 0.1053958E-13 GRAD(Rho)x 0.3585226E-14 GRAD(Rho)y -0.6255786E-14 GRAD(Rho)z 0.7687264E-14 Laplacian 0.4610324E+00 (-1/4)Del**2(Rho)) -0.1152581E+00 Diamond 0.6825958E+00 Metallicity 0.3981131E+01 Ellipticity 0.8033180E-02 Gb(Abramov) 0.1533150E+00 Vb(Abramov) -0.1913719E+00 Hb(Abramov) -0.3805690E-01 Ex_ueg -0.4062109E-01 Ec_ueg -0.6154345E-02 Delta_ex -0.4649639E-01 Delta_ec 0.1285800E-01 Delta_et -0.1641905E+00 Pxc 0.6600392E+01 Qxc -0.3616144E+01 3,-1 128 3 +1 1.528489 0.922390 -2.259090 Rho 0.2248407E-01 |GRAD(Rho)| 0.2823415E-16 GRAD(Rho)x 0.5326765E-17 GRAD(Rho)y 0.1135505E-16 GRAD(Rho)z -0.2529537E-16 Laplacian 0.8203133E-01 (-1/4)Del**2(Rho)) -0.2050783E-01 Diamond 0.7583590E-02 Metallicity 0.1504613E+01 Ellipticity -0.2104892E+01 Gb(Abramov) 0.1881461E-01 Vb(Abramov) -0.1712139E-01 Hb(Abramov) 0.1693219E-02 Ex_ueg -0.4686891E-02 Ec_ueg -0.9628945E-03 Delta_ex -0.4748683E-02 Delta_ec 0.1014922E-02 Delta_et -0.8841741E-02 Pxc 0.4867502E+01 Qxc -0.4678866E+01 3,+1 129 3 +1 1.105754 -1.336749 2.204547 Rho 0.2365861E-01 |GRAD(Rho)| 0.3322342E-16 GRAD(Rho)x -0.6832145E-17 GRAD(Rho)y 0.1294967E-16 GRAD(Rho)z -0.2982320E-16 Laplacian 0.8840856E-01 (-1/4)Del**2(Rho)) -0.2210214E-01 Diamond 0.1072944E-01 Metallicity 0.1519734E+01 Ellipticity -0.4080090E+01 Gb(Abramov) 0.2033299E-01 Vb(Abramov) -0.1856384E-01 Hb(Abramov) 0.1769151E-02 Ex_ueg -0.5016153E-02 Ec_ueg -0.1021417E-02 Delta_ex -0.5419651E-02 Delta_ec 0.1502676E-02 Delta_et -0.1308525E-01 Pxc 0.4910973E+01 Qxc -0.3606668E+01 3,+1 130 3 +1 1.727673 1.801975 1.811279 Rho 0.1200944E-01 |GRAD(Rho)| 0.1320398E-16 GRAD(Rho)x 0.1102729E-17 GRAD(Rho)y -0.8683150E-17 GRAD(Rho)z 0.9885949E-17 Laplacian 0.5817399E-01 (-1/4)Del**2(Rho)) -0.1454350E-01 Diamond 0.2293641E-02 Metallicity 0.7460286E+00 Ellipticity -0.1279779E+01 Gb(Abramov) 0.1150398E-01 Vb(Abramov) -0.8464454E-02 Hb(Abramov) 0.3039522E-02 Ex_ueg -0.2031181E-02 Ec_ueg -0.4600047E-03 Delta_ex -0.2848578E-02 Delta_ec 0.7345252E-03 Delta_et -0.5524577E-02 Pxc 0.4415566E+01 Qxc -0.3878122E+01 3,+1 131 3 +1 1.396210 -2.273015 1.047991 Rho 0.2443474E-01 |GRAD(Rho)| 0.2236221E-16 GRAD(Rho)x -0.4848304E-17 GRAD(Rho)y 0.1968491E-16 GRAD(Rho)z 0.9437515E-17 Laplacian 0.8894534E-01 (-1/4)Del**2(Rho)) -0.2223634E-01 Diamond 0.1021518E-01 Metallicity 0.1594053E+01 Ellipticity -0.2915602E+01 Gb(Abramov) 0.2073187E-01 Vb(Abramov) -0.1922741E-01 Hb(Abramov) 0.1504461E-02 Ex_ueg -0.5236752E-02 Ec_ueg -0.1060297E-02 Delta_ex -0.5379863E-02 Delta_ec 0.1297955E-02 Delta_et -0.1144566E-01 Pxc 0.4938951E+01 Qxc -0.4144875E+01 3,+1 132 3 +1 2.064984 -2.057858 2.097635 Rho 0.1108240E-01 |GRAD(Rho)| 0.1622385E-12 GRAD(Rho)x 0.4702513E-13 GRAD(Rho)y 0.1507495E-12 GRAD(Rho)z 0.3720959E-13 Laplacian 0.4715544E-01 (-1/4)Del**2(Rho)) -0.1178886E-01 Diamond 0.1363271E-02 Metallicity 0.8050164E+00 Ellipticity -0.1174811E+01 Gb(Abramov) 0.9440944E-02 Vb(Abramov) -0.7093028E-02 Hb(Abramov) 0.2347916E-02 Ex_ueg -0.1824864E-02 Ec_ueg -0.4173770E-03 Delta_ex -0.2163537E-02 Delta_ec 0.4221452E-03 Delta_et -0.3256030E-02 Pxc 0.4372219E+01 Qxc -0.5125103E+01 3,+1 133 3 -1 1.651407 -1.866090 0.434871 Rho 0.3937704E-01 |GRAD(Rho)| 0.5405357E-16 GRAD(Rho)x 0.4307247E-16 GRAD(Rho)y -0.3265439E-16 GRAD(Rho)z -0.4914909E-18 Laplacian 0.1635636E+00 (-1/4)Del**2(Rho)) -0.4089090E-01 Diamond 0.6513983E-01 Metallicity 0.1920134E+01 Ellipticity 0.3289261E-01 Gb(Abramov) 0.4034660E-01 Vb(Abramov) -0.3980230E-01 Hb(Abramov) 0.5442979E-03 Ex_ueg -0.9894087E-02 Ec_ueg -0.1836693E-02 Delta_ex -0.1299322E-01 Delta_ec 0.5433454E-02 Delta_et -0.5382848E-01 Pxc 0.5386905E+01 Qxc -0.2391336E+01 3,-1 134 3 +1 2.102450 2.052316 -2.062648 Rho 0.1086377E-01 |GRAD(Rho)| 0.9468027E-17 GRAD(Rho)x 0.5732631E-18 GRAD(Rho)y 0.5082141E-17 GRAD(Rho)z 0.7967857E-17 Laplacian 0.4219328E-01 (-1/4)Del**2(Rho)) -0.1054832E-01 Diamond 0.1079713E-02 Metallicity 0.8703040E+00 Ellipticity -0.1166211E+01 Gb(Abramov) 0.8562254E-02 Vb(Abramov) -0.6576188E-02 Hb(Abramov) 0.1986066E-02 Ex_ueg -0.1777021E-02 Ec_ueg -0.4073741E-03 Delta_ex -0.1889972E-02 Delta_ec 0.3146539E-03 Delta_et -0.2490428E-02 Pxc 0.4362136E+01 Qxc -0.6006512E+01 3,+1 135 3 -1 1.750804 1.715912 -0.603114 Rho 0.3659088E-01 |GRAD(Rho)| 0.2049201E-15 GRAD(Rho)x -0.1295736E-15 GRAD(Rho)y -0.1300136E-15 GRAD(Rho)z -0.9110093E-16 Laplacian 0.1525897E+00 (-1/4)Del**2(Rho)) -0.3814741E-01 Diamond 0.5439112E-01 Metallicity 0.1821278E+01 Ellipticity 0.2714173E-01 Gb(Abramov) 0.3701112E-01 Vb(Abramov) -0.3587482E-01 Hb(Abramov) 0.1136298E-02 Ex_ueg -0.8971855E-02 Ec_ueg -0.1688322E-02 Delta_ex -0.1186892E-01 Delta_ec 0.4999105E-02 Delta_et -0.4852267E-01 Pxc 0.5314067E+01 Qxc -0.2374209E+01 3,-1 136 3 +3 1.993663 1.921173 -1.958779 Rho 0.1078518E-01 |GRAD(Rho)| 0.1345931E-16 GRAD(Rho)x -0.9463657E-17 GRAD(Rho)y 0.4727483E-17 GRAD(Rho)z -0.8321245E-17 Laplacian 0.4176952E-01 (-1/4)Del**2(Rho)) -0.1044238E-01 Diamond 0.7827223E-03 Metallicity 0.8685592E+00 Ellipticity -0.7300670E+00 Gb(Abramov) 0.8473224E-02 Vb(Abramov) -0.6504068E-02 Hb(Abramov) 0.1969156E-02 Ex_ueg -0.1759901E-02 Ec_ueg -0.4037832E-03 Delta_ex -0.1775415E-02 Delta_ec 0.1476291E-03 Delta_et -0.1397699E-02 Pxc 0.4358530E+01 Qxc -0.1202619E+02 3,+3 137 3 -1 2.010635 -0.817333 3.057143 Rho 0.1488780E+00 |GRAD(Rho)| 0.1573038E-15 GRAD(Rho)x -0.8985326E-16 GRAD(Rho)y -0.6827763E-16 GRAD(Rho)z -0.1095857E-15 Laplacian 0.5803666E+00 (-1/4)Del**2(Rho)) -0.1450917E+00 Diamond 0.1162925E+01 Metallicity 0.4965484E+01 Ellipticity 0.2409864E-01 Gb(Abramov) 0.2168028E+00 Vb(Abramov) -0.2885140E+00 Hb(Abramov) -0.7171117E-01 Ex_ueg -0.5827636E-01 Ec_ueg -0.8371729E-02 Delta_ex -0.6218458E-01 Delta_ec 0.1470546E-01 Delta_et -0.1954456E+00 Pxc 0.6961091E+01 Qxc -0.4228674E+01 3,-1 138 3 -1 1.740063 -0.587130 1.714991 Rho 0.3791505E-01 |GRAD(Rho)| 0.1293294E-15 GRAD(Rho)x -0.9076826E-16 GRAD(Rho)y -0.4715062E-16 GRAD(Rho)z -0.7914570E-16 Laplacian 0.1452603E+00 (-1/4)Del**2(Rho)) -0.3631509E-01 Diamond 0.4933167E-01 Metallicity 0.2029951E+01 Ellipticity 0.2224087E-01 Gb(Abramov) 0.3649636E-01 Vb(Abramov) -0.3667764E-01 Hb(Abramov) -0.1812773E-03 Ex_ueg -0.9407349E-02 Ec_ueg -0.1758653E-02 Delta_ex -0.1108401E-01 Delta_ec 0.4200787E-02 Delta_et -0.4113756E-01 Pxc 0.5349179E+01 Qxc -0.2638555E+01 3,-1 139 3 -1 1.756352 0.423691 -1.868005 Rho 0.3128798E-01 |GRAD(Rho)| 0.2179574E-15 GRAD(Rho)x 0.1136710E-15 GRAD(Rho)y 0.2388082E-16 GRAD(Rho)z -0.1844289E-15 Laplacian 0.1294912E+00 (-1/4)Del**2(Rho)) -0.3237281E-01 Diamond 0.3762520E-01 Metallicity 0.1653238E+01 Ellipticity 0.4543349E-01 Gb(Abramov) 0.3050186E-01 Vb(Abramov) -0.2863092E-01 Hb(Abramov) 0.1870946E-02 Ex_ueg -0.7281515E-02 Ec_ueg -0.1410232E-02 Delta_ex -0.9726671E-02 Delta_ec 0.4289904E-02 Delta_et -0.3985130E-01 Pxc 0.5163345E+01 Qxc -0.2267340E+01 3,-1 140 3 -1 2.006085 3.075756 -0.881307 Rho 0.1341746E+00 |GRAD(Rho)| 0.1242436E-15 GRAD(Rho)x -0.3081845E-16 GRAD(Rho)y -0.1195197E-15 GRAD(Rho)z 0.1420305E-16 Laplacian 0.5367528E+00 (-1/4)Del**2(Rho)) -0.1341882E+00 Diamond 0.9704472E+00 Metallicity 0.4514635E+01 Ellipticity 0.1991707E-01 Gb(Abramov) 0.1904272E+00 Vb(Abramov) -0.2466663E+00 Hb(Abramov) -0.5623905E-01 Ex_ueg -0.5073162E-01 Ec_ueg -0.7438292E-02 Delta_ex -0.5631565E-01 Delta_ec 0.1438847E-01 Delta_et -0.1891648E+00 Pxc 0.6820332E+01 Qxc -0.3913943E+01 3,-1 141 3 -1 1.801364 0.542133 2.804129 Rho 0.1056957E+00 |GRAD(Rho)| 0.4185159E-15 GRAD(Rho)x 0.3040713E-15 GRAD(Rho)y -0.2875643E-15 GRAD(Rho)z -0.1741500E-17 Laplacian 0.4327747E+00 (-1/4)Del**2(Rho)) -0.1081937E+00 Diamond 0.5742812E+00 Metallicity 0.3762245E+01 Ellipticity 0.1147803E-01 Gb(Abramov) 0.1399710E+00 Vb(Abramov) -0.1717483E+00 Hb(Abramov) -0.3177730E-01 Ex_ueg -0.3690867E-01 Ec_ueg -0.5671352E-02 Delta_ex -0.4270637E-01 Delta_ec 0.1188754E-01 Delta_et -0.1492280E+00 Pxc 0.6507913E+01 Qxc -0.3592532E+01 3,-1 142 3 -1 2.083073 0.825522 -3.139023 Rho 0.1011976E+00 |GRAD(Rho)| 0.1322474E-14 GRAD(Rho)x 0.1211264E-14 GRAD(Rho)y -0.2634205E-15 GRAD(Rho)z -0.4608537E-15 Laplacian 0.4096676E+00 (-1/4)Del**2(Rho)) -0.1024169E+00 Diamond 0.5310077E+00 Metallicity 0.3696564E+01 Ellipticity 0.1283848E-01 Gb(Abramov) 0.1313764E+00 Vb(Abramov) -0.1603358E+00 Hb(Abramov) -0.2895947E-01 Ex_ueg -0.3482933E-01 Ec_ueg -0.5397652E-02 Delta_ex -0.4027192E-01 Delta_ec 0.1181813E-01 Delta_et -0.1476808E+00 Pxc 0.6452680E+01 Qxc -0.3407638E+01 3,-1 143 3 +1 2.245335 0.940295 -1.559704 Rho 0.1931551E-01 |GRAD(Rho)| 0.1233442E-16 GRAD(Rho)x 0.1480295E-17 GRAD(Rho)y 0.1028756E-16 GRAD(Rho)z -0.6641734E-17 Laplacian 0.6791959E-01 (-1/4)Del**2(Rho)) -0.1697990E-01 Diamond 0.4815817E-02 Metallicity 0.1410788E+01 Ellipticity -0.1889360E+01 Gb(Abramov) 0.1531244E-01 Vb(Abramov) -0.1364498E-01 Hb(Abramov) 0.1667461E-02 Ex_ueg -0.3827601E-02 Ec_ueg -0.8070046E-03 Delta_ex -0.3728642E-02 Delta_ec 0.7656307E-03 Delta_et -0.6488788E-02 Pxc 0.4742972E+01 Qxc -0.4870027E+01 3,+1 144 3 -1 1.969656 -3.133927 0.873642 Rho 0.1051954E+00 |GRAD(Rho)| 0.3471778E-14 GRAD(Rho)x 0.1567052E-14 GRAD(Rho)y 0.8402702E-15 GRAD(Rho)z -0.2981868E-14 Laplacian 0.4268724E+00 (-1/4)Del**2(Rho)) -0.1067181E+00 Diamond 0.5805072E+00 Metallicity 0.3784221E+01 Ellipticity 0.4976379E-02 Gb(Abramov) 0.1384529E+00 Vb(Abramov) -0.1701876E+00 Hb(Abramov) -0.3173477E-01 Ex_ueg -0.3667590E-01 Ec_ueg -0.5640832E-02 Delta_ex -0.4235345E-01 Delta_ec 0.1223138E-01 Delta_et -0.1540635E+00 Pxc 0.6501860E+01 Qxc -0.3462687E+01 3,-1 145 3 -1 2.710426 -1.960550 -0.659457 Rho 0.1292137E+00 |GRAD(Rho)| 0.1901694E-15 GRAD(Rho)x -0.3321724E-16 GRAD(Rho)y -0.1871875E-15 GRAD(Rho)z 0.4675622E-17 Laplacian 0.5448735E+00 (-1/4)Del**2(Rho)) -0.1362184E+00 Diamond 0.9398354E+00 Metallicity 0.4176684E+01 Ellipticity 0.8588786E-02 Gb(Abramov) 0.1856358E+00 Vb(Abramov) -0.2350531E+00 Hb(Abramov) -0.4941739E-01 Ex_ueg -0.4824619E-01 Ec_ueg -0.7126486E-02 Delta_ex -0.5663241E-01 Delta_ec 0.1470023E-01 Delta_et -0.1919914E+00 Pxc 0.6769982E+01 Qxc -0.3852486E+01 3,-1 146 3 -1 2.970090 -2.077880 0.837936 Rho 0.5272419E-01 |GRAD(Rho)| 0.8288756E-16 GRAD(Rho)x -0.2612673E-16 GRAD(Rho)y -0.6350968E-16 GRAD(Rho)z -0.4641402E-16 Laplacian 0.2178992E+00 (-1/4)Del**2(Rho)) -0.5447479E-01 Diamond 0.1267966E+00 Metallicity 0.2344449E+01 Ellipticity 0.9027987E-02 Gb(Abramov) 0.5760209E-01 Vb(Abramov) -0.6072939E-01 Hb(Abramov) -0.3127298E-02 Ex_ueg -0.1460153E-01 Ec_ueg -0.2566001E-02 Delta_ex -0.1850182E-01 Delta_ec 0.7069014E-02 Delta_et -0.7576846E-01 Pxc 0.5690382E+01 Qxc -0.2617313E+01 3,-1 147 3 +1 2.932491 0.033933 -0.054473 Rho 0.4045905E-02 |GRAD(Rho)| 0.4968795E-17 GRAD(Rho)x 0.1159369E-17 GRAD(Rho)y -0.2316474E-17 GRAD(Rho)z -0.4240134E-17 Laplacian 0.1543772E-01 (-1/4)Del**2(Rho)) -0.3859431E-02 Diamond 0.2785125E-03 Metallicity 0.4585527E+00 Ellipticity -0.4287516E+01 Gb(Abramov) 0.2867913E-02 Vb(Abramov) -0.1876394E-02 Hb(Abramov) 0.9915182E-03 Ex_ueg -0.4761450E-03 Ec_ueg -0.1060881E-03 Delta_ex -0.7467077E-03 Delta_ec 0.5028956E-03 Delta_et -0.2555628E-02 Pxc 0.4488204E+01 Qxc -0.1484816E+01 3,+1 148 3 -1 2.792498 1.837629 0.573672 Rho 0.1051998E+00 |GRAD(Rho)| 0.1377114E-09 GRAD(Rho)x 0.2316102E-10 GRAD(Rho)y -0.9467123E-10 GRAD(Rho)z 0.9729007E-10 Laplacian 0.4584981E+00 (-1/4)Del**2(Rho)) -0.1146245E+00 Diamond 0.6314430E+00 Metallicity 0.3523441E+01 Ellipticity 0.9852090E-02 Gb(Abramov) 0.1437285E+00 Vb(Abramov) -0.1728324E+00 Hb(Abramov) -0.2910395E-01 Ex_ueg -0.3667793E-01 Ec_ueg -0.5641098E-02 Delta_ex -0.4561797E-01 Delta_ec 0.1336283E-01 Delta_et -0.1686050E+00 Pxc 0.6501913E+01 Qxc -0.3413795E+01 3,-1 149 3 -1 1.816159 2.833480 0.564085 Rho 0.8498188E-01 |GRAD(Rho)| 0.1976008E-15 GRAD(Rho)x -0.1397604E-15 GRAD(Rho)y 0.2276147E-16 GRAD(Rho)z 0.1378224E-15 Laplacian 0.3714148E+00 (-1/4)Del**2(Rho)) -0.9285371E-01 Diamond 0.3953175E+00 Metallicity 0.3047646E+01 Ellipticity 0.1289505E-01 Gb(Abramov) 0.1090667E+00 Vb(Abramov) -0.1252796E+00 Hb(Abramov) -0.1621297E-01 Ex_ueg -0.2759435E-01 Ec_ueg -0.4424678E-02 Delta_ex -0.3520042E-01 Delta_ec 0.1132677E-01 Delta_et -0.1365655E+00 Pxc 0.6236465E+01 Qxc -0.3107718E+01 3,-1 150 3 -1 3.101239 0.813146 -2.068620 Rho 0.6513888E-01 |GRAD(Rho)| 0.2033908E-15 GRAD(Rho)x -0.5653776E-16 GRAD(Rho)y -0.1391946E-15 GRAD(Rho)z -0.1370991E-15 Laplacian 0.2696922E+00 (-1/4)Del**2(Rho)) -0.6742306E-01 Diamond 0.2024629E+00 Metallicity 0.2694502E+01 Ellipticity 0.5774373E-02 Gb(Abramov) 0.7522730E-01 Vb(Abramov) -0.8303155E-01 Hb(Abramov) -0.7804246E-02 Ex_ueg -0.1935703E-01 Ec_ueg -0.3267368E-02 Delta_ex -0.2394247E-01 Delta_ec 0.8375709E-02 Delta_et -0.9468455E-01 Pxc 0.5924350E+01 Qxc -0.2858560E+01 3,-1 151 3 -1 2.797495 -0.688310 -1.928641 Rho 0.1227378E+00 |GRAD(Rho)| 0.8689515E-15 GRAD(Rho)x -0.1025994E-15 GRAD(Rho)y 0.5718353E-15 GRAD(Rho)z -0.6461845E-15 Laplacian 0.5144096E+00 (-1/4)Del**2(Rho)) -0.1286024E+00 Diamond 0.8401781E+00 Metallicity 0.4060701E+01 Ellipticity 0.1313987E-01 Gb(Abramov) 0.1727709E+00 Vb(Abramov) -0.2169394E+00 Hb(Abramov) -0.4416852E-01 Ex_ueg -0.4504943E-01 Ec_ueg -0.6721930E-02 Delta_ex -0.5289281E-01 Delta_ec 0.1418728E-01 Delta_et -0.1838938E+00 Pxc 0.6701859E+01 Qxc -0.3728185E+01 3,-1 152 3 -1 2.786797 0.560793 1.856954 Rho 0.1589360E+00 |GRAD(Rho)| 0.6467719E-12 GRAD(Rho)x -0.4270008E-13 GRAD(Rho)y -0.4537552E-12 GRAD(Rho)z 0.4589083E-12 Laplacian 0.6586735E+00 (-1/4)Del**2(Rho)) -0.1646684E+00 Diamond 0.1421684E+01 Metallicity 0.4878805E+01 Ellipticity 0.1586814E-01 Gb(Abramov) 0.2436764E+00 Vb(Abramov) -0.3226844E+00 Hb(Abramov) -0.7900801E-01 Ex_ueg -0.6358404E-01 Ec_ueg -0.9017979E-02 Delta_ex -0.7166790E-01 Delta_ec 0.1632028E-01 Delta_et -0.2185677E+00 Pxc 0.7050808E+01 Qxc -0.4391341E+01 3,-1 153 3 -1 3.232388 0.082062 3.240133 Rho 0.2182084E+00 |GRAD(Rho)| 0.5147933E-14 GRAD(Rho)x -0.3652460E-14 GRAD(Rho)y -0.3480262E-14 GRAD(Rho)z 0.1023975E-14 Laplacian 0.7995484E+00 (-1/4)Del**2(Rho)) -0.1998871E+00 Diamond 0.2533770E+01 Metallicity 0.6816386E+01 Ellipticity 0.9890051E-03 Gb(Abramov) 0.3603427E+00 Vb(Abramov) -0.5207982E+00 Hb(Abramov) -0.1604556E+00 Ex_ueg -0.9702426E-01 Ec_ueg -0.1294575E-01 Delta_ex -0.9431495E-01 Delta_ec 0.1828665E-01 Delta_et -0.2526896E+00 Pxc 0.7494683E+01 Qxc -0.5157586E+01 3,-1 154 3 -1 3.221167 -3.339244 -0.087205 Rho 0.1859595E+00 |GRAD(Rho)| 0.4609219E-14 GRAD(Rho)x 0.1564558E-14 GRAD(Rho)y -0.4204373E-14 GRAD(Rho)z 0.1058446E-14 Laplacian 0.7024619E+00 (-1/4)Del**2(Rho)) -0.1756155E+00 Diamond 0.1849351E+01 Metallicity 0.5943206E+01 Ellipticity 0.1033992E-01 Gb(Abramov) 0.2910302E+00 Vb(Abramov) -0.4064448E+00 Hb(Abramov) -0.1154147E+00 Ex_ueg -0.7839278E-01 Ec_ueg -0.1078396E-01 Delta_ex -0.7963886E-01 Delta_ec 0.1695443E-01 Delta_et -0.2318415E+00 Pxc 0.7269390E+01 Qxc -0.4697230E+01 3,-1 155 3 -1 3.108075 2.042772 -0.876539 Rho 0.1674918E+00 |GRAD(Rho)| 0.3425493E-15 GRAD(Rho)x 0.2634069E-15 GRAD(Rho)y -0.7475574E-16 GRAD(Rho)z -0.2058358E-15 Laplacian 0.6537570E+00 (-1/4)Del**2(Rho)) -0.1634393E+00 Diamond 0.1528425E+01 Metallicity 0.5364380E+01 Ellipticity 0.3096377E-01 Gb(Abramov) 0.2550845E+00 Vb(Abramov) -0.3467298E+00 Hb(Abramov) -0.9164529E-01 Ex_ueg -0.6818831E-01 Ec_ueg -0.9572490E-02 Delta_ex -0.7228817E-01 Delta_ec 0.1637615E-01 Delta_et -0.2217911E+00 Pxc 0.7123361E+01 Qxc -0.4414235E+01 3,-1 156 3 -1 3.255915 3.273048 0.058816 Rho 0.1911014E+00 |GRAD(Rho)| 0.1277055E-14 GRAD(Rho)x 0.7099356E-15 GRAD(Rho)y 0.1024734E-14 GRAD(Rho)z 0.2770950E-15 Laplacian 0.7250471E+00 (-1/4)Del**2(Rho)) -0.1812618E+00 Diamond 0.1964293E+01 Metallicity 0.6025876E+01 Ellipticity 0.5024330E-02 Gb(Abramov) 0.3028847E+00 Vb(Abramov) -0.4245076E+00 Hb(Abramov) -0.1216229E+00 Ex_ueg -0.8129622E-01 Ec_ueg -0.1112474E-01 Delta_ex -0.8271000E-01 Delta_ec 0.1726843E-01 Delta_et -0.2364274E+00 Pxc 0.7307695E+01 Qxc -0.4789665E+01 3,-1 157 3 +1 2.214004 -1.571585 0.972482 Rho 0.2019867E-01 |GRAD(Rho)| 0.4794395E-16 GRAD(Rho)x -0.6791599E-17 GRAD(Rho)y -0.3171911E-16 GRAD(Rho)z -0.3530432E-16 Laplacian 0.7340460E-01 (-1/4)Del**2(Rho)) -0.1835115E-01 Diamond 0.5414003E-02 Metallicity 0.1406353E+01 Ellipticity -0.1794071E+01 Gb(Abramov) 0.1653547E-01 Vb(Abramov) -0.1471978E-01 Hb(Abramov) 0.1815684E-02 Ex_ueg -0.4062705E-02 Ec_ueg -0.8501538E-03 Delta_ex -0.4062354E-02 Delta_ec 0.7956944E-03 Delta_et -0.6826089E-02 Pxc 0.4778788E+01 Qxc -0.5105419E+01 3,+1 158 3 -1 3.454212 -0.069625 -3.267216 Rho 0.1827825E+00 |GRAD(Rho)| 0.2111792E-15 GRAD(Rho)x -0.2107689E-15 GRAD(Rho)y -0.1002887E-17 GRAD(Rho)z 0.1311885E-16 Laplacian 0.6821069E+00 (-1/4)Del**2(Rho)) -0.1705267E+00 Diamond 0.1767197E+01 Metallicity 0.5947281E+01 Ellipticity 0.2296748E-01 Gb(Abramov) 0.2827129E+00 Vb(Abramov) -0.3948990E+00 Hb(Abramov) -0.1121861E+00 Ex_ueg -0.7661219E-01 Ec_ueg -0.1057415E-01 Delta_ex -0.7705876E-01 Delta_ec 0.1665074E-01 Delta_et -0.2276296E+00 Pxc 0.7245232E+01 Qxc -0.4627948E+01 3,-1 159 3 -1 -2.303390 -0.862237 -3.458381 Rho 0.1929234E+00 |GRAD(Rho)| 0.5010590E-15 GRAD(Rho)x 0.2098473E-15 GRAD(Rho)y -0.4481008E-15 GRAD(Rho)z -0.7892992E-16 Laplacian 0.7459671E+00 (-1/4)Del**2(Rho)) -0.1864918E+00 Diamond 0.2040691E+01 Metallicity 0.5950246E+01 Ellipticity 0.6337205E-02 Gb(Abramov) 0.3092732E+00 Vb(Abramov) -0.4320545E+00 Hb(Abramov) -0.1227814E+00 Ex_ueg -0.8233127E-01 Ec_ueg -0.1124585E-01 Delta_ex -0.8527706E-01 Delta_ec 0.1767751E-01 Delta_et -0.2420947E+00 Pxc 0.7321037E+01 Qxc -0.4824043E+01 3,-1 160 3 +3 1.941099 -1.945006 1.949992 Rho 0.1096616E-01 |GRAD(Rho)| 0.3930555E-16 GRAD(Rho)x -0.2146910E-16 GRAD(Rho)y 0.2329309E-16 GRAD(Rho)z -0.2326877E-16 Laplacian 0.4623321E-01 (-1/4)Del**2(Rho)) -0.1155830E-01 Diamond 0.9553315E-03 Metallicity 0.8067704E+00 Ellipticity -0.6962057E+00 Gb(Abramov) 0.9259685E-02 Vb(Abramov) -0.6961067E-02 Hb(Abramov) 0.2298618E-02 Ex_ueg -0.1799386E-02 Ec_ueg -0.4120561E-03 Delta_ex -0.1997126E-02 Delta_ec 0.2032847E-03 Delta_et -0.1809770E-02 Pxc 0.4366848E+01 Qxc -0.9824280E+01 3,+3 161 3 -1 -0.610007 -2.822707 1.903358 Rho 0.1397979E+00 |GRAD(Rho)| 0.8009590E-15 GRAD(Rho)x 0.6027351E-15 GRAD(Rho)y 0.1698877E-15 GRAD(Rho)z 0.4993835E-15 Laplacian 0.5860682E+00 (-1/4)Del**2(Rho)) -0.1465171E+00 Diamond 0.1113855E+01 Metallicity 0.4427579E+01 Ellipticity 0.7351441E-02 Gb(Abramov) 0.2057973E+00 Vb(Abramov) -0.2650776E+00 Hb(Abramov) -0.5928029E-01 Ex_ueg -0.5358618E-01 Ec_ueg -0.7793669E-02 Delta_ex -0.6210950E-01 Delta_ec 0.1557007E-01 Delta_et -0.2060771E+00 Pxc 0.6875604E+01 Qxc -0.3989032E+01 3,-1 162 3 -1 -0.065786 3.209379 -3.281399 Rho 0.1918324E+00 |GRAD(Rho)| 0.2085924E-10 GRAD(Rho)x -0.4567943E-11 GRAD(Rho)y 0.1489493E-10 GRAD(Rho)z -0.1387022E-10 Laplacian 0.7358949E+00 (-1/4)Del**2(Rho)) -0.1839737E+00 Diamond 0.1998184E+01 Metallicity 0.5974946E+01 Ellipticity 0.3405689E-02 Gb(Abramov) 0.3058546E+00 Vb(Abramov) -0.4277356E+00 Hb(Abramov) -0.1218809E+00 Ex_ueg -0.8171109E-01 Ec_ueg -0.1117331E-01 Delta_ex -0.8399535E-01 Delta_ec 0.1744908E-01 Delta_et -0.2387902E+00 Pxc 0.7313062E+01 Qxc -0.4813742E+01 3,-1 163 3 -1 0.075548 3.208127 3.256625 Rho 0.2180516E+00 |GRAD(Rho)| 0.1129524E-13 GRAD(Rho)x 0.5474828E-14 GRAD(Rho)y -0.9876160E-14 GRAD(Rho)z -0.2650332E-15 Laplacian 0.8069110E+00 (-1/4)Del**2(Rho)) -0.2017277E+00 Diamond 0.2548416E+01 Metallicity 0.6746106E+01 Ellipticity 0.1506088E-02 Gb(Abramov) 0.3612980E+00 Vb(Abramov) -0.5208682E+00 Hb(Abramov) -0.1595702E+00 Ex_ueg -0.9693134E-01 Ec_ueg -0.1293510E-01 Delta_ex -0.9512662E-01 Delta_ec 0.1838884E-01 Delta_et -0.2538195E+00 Pxc 0.7493669E+01 Qxc -0.5173062E+01 3,-1 164 3 -1 0.438668 0.411441 -0.546502 Rho 0.1786048E+00 |GRAD(Rho)| 0.3310551E-15 GRAD(Rho)x -0.1422473E-15 GRAD(Rho)y 0.2775558E-15 GRAD(Rho)z -0.1110223E-15 Laplacian 0.4572189E+00 (-1/4)Del**2(Rho)) -0.1143047E+00 Diamond 0.1162040E+01 Metallicity 0.8537107E+01 Ellipticity 0.2117991E-02 Gb(Abramov) 0.2388417E+00 Vb(Abramov) -0.3633788E+00 Hb(Abramov) -0.1245370E+00 Ex_ueg -0.7428636E-01 Ec_ueg -0.1029914E-01 Delta_ex -0.5143192E-01 Delta_ec 0.1136872E-01 Delta_et -0.1554403E+00 Pxc 0.7212872E+01 Qxc -0.4523984E+01 3,-1 165 3 -1 1.778124 -3.185374 -0.612495 Rho 0.1888518E+00 |GRAD(Rho)| 0.5619717E-15 GRAD(Rho)x 0.5362464E-15 GRAD(Rho)y 0.1579954E-15 GRAD(Rho)z 0.5735429E-16 Laplacian 0.7297809E+00 (-1/4)Del**2(Rho)) -0.1824452E+00 Diamond 0.1947338E+01 Metallicity 0.5869788E+01 Ellipticity 0.1246226E-01 Gb(Abramov) 0.3001160E+00 Vb(Abramov) -0.4177867E+00 Hb(Abramov) -0.1176707E+00 Ex_ueg -0.8002269E-01 Ec_ueg -0.1097546E-01 Delta_ex -0.8298695E-01 Delta_ec 0.1741224E-01 Delta_et -0.2380544E+00 Pxc 0.7291056E+01 Qxc -0.4766011E+01 3,-1 166 3 -1 2.060008 -0.657598 -3.241029 Rho 0.1958884E+00 |GRAD(Rho)| 0.4593092E-15 GRAD(Rho)x -0.1123776E-15 GRAD(Rho)y 0.3486252E-15 GRAD(Rho)z 0.2771221E-15 Laplacian 0.7638423E+00 (-1/4)Del**2(Rho)) -0.1909606E+00 Diamond 0.2121583E+01 Metallicity 0.5960608E+01 Ellipticity 0.1474357E-02 Gb(Abramov) 0.3170139E+00 Vb(Abramov) -0.4430672E+00 Hb(Abramov) -0.1260533E+00 Ex_ueg -0.8402269E-01 Ec_ueg -0.1144334E-01 Delta_ex -0.8761340E-01 Delta_ec 0.1794361E-01 Delta_et -0.2457909E+00 Pxc 0.7342499E+01 Qxc -0.4882708E+01 3,-1 167 3 -1 3.058836 -0.859773 2.055578 Rho 0.1896926E+00 |GRAD(Rho)| 0.7762619E-15 GRAD(Rho)x 0.5563041E-15 GRAD(Rho)y 0.1334111E-15 GRAD(Rho)z 0.5246996E-15 Laplacian 0.7242103E+00 (-1/4)Del**2(Rho)) -0.1810526E+00 Diamond 0.1934729E+01 Metallicity 0.5958895E+01 Ellipticity 0.4002922E-01 Gb(Abramov) 0.3005139E+00 Vb(Abramov) -0.4199753E+00 Hb(Abramov) -0.1194614E+00 Ex_ueg -0.8049808E-01 Ec_ueg -0.1103122E-01 Delta_ex -0.8238736E-01 Delta_ec 0.1715362E-01 Delta_et -0.2342789E+00 Pxc 0.7297296E+01 Qxc -0.4802913E+01 3,-1 168 3 -1 -0.068754 -3.221302 3.333604 Rho 0.1933332E+00 |GRAD(Rho)| 0.2292422E-15 GRAD(Rho)x -0.4729832E-17 GRAD(Rho)y -0.4488597E-16 GRAD(Rho)z 0.2247551E-15 Laplacian 0.7384815E+00 (-1/4)Del**2(Rho)) -0.1846204E+00 Diamond 0.2022628E+01 Metallicity 0.6031855E+01 Ellipticity 0.3204017E-02 Gb(Abramov) 0.3086808E+00 Vb(Abramov) -0.4327413E+00 Hb(Abramov) -0.1240604E+00 Ex_ueg -0.8256455E-01 Ec_ueg -0.1127312E-01 Delta_ex -0.8444738E-01 Delta_ec 0.1745532E-01 Delta_et -0.2389824E+00 Pxc 0.7324022E+01 Qxc -0.4837918E+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 73 105 110 161 123 122 168 120 115 164 116 91 106 113 125 127 162 107 121 126 112 114 163 133 145 165 146 144 154 135 148 149 155 140 156 76 84 89 86 90 75 56 74 96 73 77 57 62 70 59 60 159 58 94 67 92 71 95 69 138 152 141 167 137 153 139 151 166 150 142 158 78 118 104 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 36 52 52 2.423640 2.073771 1.941452 2.050616 1.946174 1.825634 1.728668 1.695500 1.716944 1.748156 2.387824 1.956906 2.126651 1.940820 2.031632 1.828547 2.415569 1.896098 1.856718 2.003623 1.943975 1.779632 2.456258 1.970333 1.833820 2.337851 2.061006 1.841331 2.487108 2.046531 2.133235 1.881970 1.965638 1.830289 2.396858 1.808142 1.864924 2.025909 2.049509 1.786189 2.354770 2.069508 2.014938 1.969665 2.006291 1.823375 2.432745 2.320821 2.000371 2.031446 1.825758 1.844338 2.439291 1.892759 1.883388 1.952538 1.969333 1.777344 2.487411 1.893066 2.056039 1.834923 1.929107 1.779671 2.547006 1.990060 1.820701 2.258246 2.075076 1.848534 3.641118 1.776746 1.009649 2.425744 2.073944 1.941630 2.050859 1.946414 1.825638 1.728679 1.695524 1.716956 1.748159 2.390099 1.957103 2.126905 1.941053 2.031863 1.828551 2.417204 1.896586 1.856989 2.004078 1.944450 1.779638 2.458395 1.970522 1.833851 2.338133 2.061250 1.841339 2.489172 2.046747 2.133524 1.882104 1.965876 1.830298 2.398363 1.808411 1.865205 2.026317 2.049921 1.786208 2.357482 2.069714 2.015116 1.969957 2.006964 1.823389 2.434953 2.321035 2.000524 2.031675 1.825763 1.844346 2.440753 1.893095 1.883709 1.953040 1.969792 1.777354 2.488986 1.893390 2.056388 1.835131 1.929574 1.779683 2.549171 1.990209 1.820749 2.258509 2.075309 1.848548 3.642339 1.779568 1.009735 31 26 23 25 24 23 22 22 21 21 30 30 27 25 26 23 32 26 24 25 25 23 29 25 23 28 26 22 29 27 26 22 25 22 27 28 25 29 27 23 27 26 27 24 27 24 27 27 25 25 23 23 31 25 27 24 28 23 29 22 26 23 26 23 29 27 22 27 25 22 39 24 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 Ta As Ta W Ta Ta W Ta Ta W 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 H 2.1091 2.3892 2.0857 2.3695 1.9891 2.0664 2.3342 2.1202 2.0094 2.3594 2.3428 1.9340 -1.0957 -1.0173 -1.0901 -1.0979 -0.9794 -1.0498 -0.9062 -0.9935 -0.9779 -0.9731 -1.0387 -0.9777 -0.9744 -1.0259 -0.9642 -0.9928 -0.9631 -1.0785 -1.0354 -1.0252 -1.0346 -1.0645 -1.0236 -1.0238 -0.9271 -1.0272 -1.0645 -1.0649 -1.0130 -1.0566 -1.0189 -0.9225 -1.0464 -1.0230 -0.9379 -1.0089 -1.0566 -0.9188 -0.9255 0.3063 2.1297 0.8754 2.1422 2.1143 2.1681 2.1445 2.1253 2.1484 2.1700 2.1197 2.1306 2.1805 1.9375 1.9477 1.9404 1.9315 1.9270 1.9190 1.9436 1.9255 1.9302 1.9279 1.9190 1.9274 1.9300 1.9192 1.9312 1.9350 1.9411 1.9218 1.9278 1.9304 1.9287 1.9225 1.9299 1.9255 1.8617 1.9308 1.9231 1.9228 1.9300 1.9236 1.9289 1.9441 1.9264 1.9286 1.9428 1.9300 1.9244 1.9455 1.9445 0.5458 6.0938 1.1985 6.1025 6.1000 6.1130 6.0958 6.1060 6.1005 6.0967 6.1082 6.1100 6.1217 5.1249 5.0360 5.1163 5.1318 5.0259 5.1082 4.9324 5.0414 5.0238 5.0175 5.0970 5.0233 5.0172 5.0826 5.0054 5.0335 4.9943 5.1332 5.0844 5.0674 5.0794 5.1180 5.0663 5.0760 5.0404 5.0696 5.1170 5.1179 5.0603 5.1123 5.0677 4.9495 5.0989 5.0722 4.9671 5.0563 5.1114 4.9441 4.9521 0.1479 2.6324 10.5370 2.6349 3.3862 2.6971 2.6590 3.4047 2.5962 2.6910 3.3827 3.3870 2.7311 0.0333 0.0336 0.0335 0.0345 0.0265 0.0226 0.0302 0.0266 0.0239 0.0277 0.0227 0.0270 0.0272 0.0241 0.0277 0.0243 0.0277 0.0236 0.0232 0.0274 0.0265 0.0241 0.0274 0.0223 0.0250 0.0267 0.0244 0.0241 0.0226 0.0206 0.0223 0.0289 0.0211 0.0222 0.0280 0.0226 0.0208 0.0292 0.0289 0.0000 14.0351 0.0000 14.0347 14.0301 14.0327 14.0343 14.0298 14.0348 14.0328 14.0300 14.0296 14.0326 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 Ta As Ta W Ta Ta W Ta Ta W 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 H 2.348527 2.300680 2.348527 2.483973 2.305984 2.334177 2.466629 2.379321 2.328063 2.483093 2.477185 2.300822 -1.089127 -1.044892 -1.087233 -1.089459 -1.031977 -1.102311 -0.983513 -1.035858 -1.102144 -1.017214 -1.088960 -1.028617 -1.027531 -1.078509 -1.019128 -1.006870 -1.023091 -1.109564 -1.115128 -1.045309 -1.061962 -1.115500 -1.045272 -1.130715 -0.766258 -1.049152 -1.108261 -1.108883 -1.129729 -1.196896 -1.139983 -0.993245 -1.176441 -1.144218 -1.012403 -1.121099 -1.176830 -0.987291 -0.995587 0.029177 1.822190 1.767898 1.832765 1.912552 1.813447 1.825725 1.904770 1.883187 1.857413 1.912114 1.922224 1.849385 -0.679813 -0.677635 -0.678574 -0.675870 -0.791552 -0.811915 -0.766729 -0.777162 -1.047212 -0.765339 -0.804478 -0.793025 -0.796180 -0.817357 -0.790174 -0.921118 -0.895023 -0.934754 -0.984786 -0.885477 -0.902105 -0.960464 -0.882524 -1.091009 -1.023308 -0.893531 -0.954770 -0.955640 -1.099037 -1.186604 -1.112754 -0.935234 -1.158775 -1.113967 -0.954069 -1.082564 -1.164476 -0.928947 -0.936064 0.326347 1.949587 1.693281 1.964819 2.031880 1.929095 1.946744 2.017571 1.994131 1.976428 2.034638 2.037269 1.967609 -0.769929 -0.763067 -0.777737 -0.773278 -0.880162 -0.915230 -0.813747 -0.876701 -1.048940 -0.847712 -0.921389 -0.864085 -0.866157 -0.947501 -0.863068 -0.990495 -0.903493 -0.979236 -1.006986 -0.928093 -0.927676 -1.012924 -0.920089 -1.074214 -0.982204 -0.931260 -1.002258 -0.984203 -1.065073 -1.164657 -1.083912 -0.896980 -1.128046 -1.089038 -0.914721 -1.057714 -1.153305 -0.889131 -0.902460 0.373820 -5.45087274 4.60124377 17.08033132 18.51002906 -30.81286479 -7.83424462 2.52459753 25.21976604 41.55490205 5.59309875 -343.8774 412.5124 102.5941 -448.5887 -199.9281 -477.2877 Jun21-2024 08:01:59 Nodes: 1 Procs: 1 Jun21-2024 08:02:02 Nodes: 1 Procs: 1 0 Jun21-2024 08:02:04 Nodes: 1 Procs: 1 Jun21-2024 08:02:07 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:02:10 Nodes: 1 Procs: 1 Jun21-2024 08:02:13 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:02:17 Nodes: 1 Procs: 1 Jun21-2024 08:02:19 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:02:21 Nodes: 1 Procs: 1 Jun21-2024 08:02:23 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 08:02:28 Nodes: 1 Procs: 5 *** (NO TITLE) *** -13 -17.05055390 -17.30197126 -17.41457145 -17.37688762 -17.43860048 -17.47855045 -17.49198867 -17.50833604 -17.51905631 -17.52660727 -17.53216507 -17.53458298 -17.53581178 -17.53732285 -17.53824355 -17.53916425 -17.53952528 -17.53988470 -17.54001979 -17.54010747 -17.54016196 -17.54002440 -17.54003889 -17.54000172 GEOMETRY CONVERGED