ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:36:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.05 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 Jun19-2024 12:36:21 Nodes: 1 Procs: 1 Jun19-2024 12:36:23 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:36:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.50 0.06 1.94 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun19-2024 12:36:21 Nodes: 1 Procs: 1 Jun19-2024 12:36:23 Nodes: 1 Procs: 1 0 Jun19-2024 12:36:25 Nodes: 1 Procs: 1 Jun19-2024 12:36:26 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:36:29 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.09 3.18 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 12:36:21 Nodes: 1 Procs: 1 Jun19-2024 12:36:23 Nodes: 1 Procs: 1 0 Jun19-2024 12:36:25 Nodes: 1 Procs: 1 Jun19-2024 12:36:26 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:36:29 Nodes: 1 Procs: 1 Jun19-2024 12:36:32 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:36:36 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.06 1.57 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun19-2024 12:36:21 Nodes: 1 Procs: 1 Jun19-2024 12:36:23 Nodes: 1 Procs: 1 0 Jun19-2024 12:36:25 Nodes: 1 Procs: 1 Jun19-2024 12:36:26 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:36:29 Nodes: 1 Procs: 1 Jun19-2024 12:36:32 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:36:36 Nodes: 1 Procs: 1 Jun19-2024 12:36:37 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:36:40 Hydrogen (TZP) c2-54 c2-54 c2-54 c2-54 c2-54 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.70 0.07 3.37 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun19-2024 12:36:21 Nodes: 1 Procs: 1 Jun19-2024 12:36:23 Nodes: 1 Procs: 1 0 Jun19-2024 12:36:25 Nodes: 1 Procs: 1 Jun19-2024 12:36:26 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:36:29 Nodes: 1 Procs: 1 Jun19-2024 12:36:32 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:36:36 Nodes: 1 Procs: 1 Jun19-2024 12:36:37 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 12:36:40 Nodes: 1 Procs: 1 Jun19-2024 12:36:42 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 12:36:48 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2267.6769999999997 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun19-2024 12:36:42 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 12:36:37 1 1 Oxygen TZP 1s t21.Ta ADF 2019.304 Jun19-2024 12:36:32 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 12:36:26 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun19-2024 12:36:23 1 1 Hydrogen TZP 1 1 -14.34924980 0.22931265 0.00100000 F 0.09031714 0.00066667 F 0.22931265 0.09031714 0.24708083 0.01000000 F 0.05162952 0.00666667 F Cartesian 2267.6769999999997 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2 2 -14.65806730 0.16767922 0.00100000 F 0.05999680 0.00066667 F 0.16767922 0.05999680 0.30368859 0.01000000 F 0.07511462 0.00666667 F Cartesian 2267.6769999999997 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-0.017392 0.130356 1.601112 0.006698 0.553979 -0.746994 1.377426 -1.297199 -3.065557 1.581199 0.110553 1.704403 -3.044939 -1.753436 -0.073617 3.160333 2.872185 1.262935 -1.299193 -2.289476 2.225285 -1.890103 3.394639 -0.960327 -0.045290 -2.213623 2.220095 1.804879 0.923502 -3.272561 0.000270 0.128506 1.730023 2.940857 -1.266095 -3.234511 -1.630892 2.903836 1.308889 1.325013 -1.759986 -0.211577 -3.252022 2.070903 -0.099789 -3.460744 -0.813626 4.557212 -2.843396 1.424777 3.505246 -1.362812 0.139950 -1.987105 3.595528 2.508480 -2.380353 -2.102541 -0.997446 3.945834 0.014929 2.405689 -2.436044 2.182541 0.742795 -4.648954 2.540128 2.050423 -0.054029 3.539489 0.261034 -2.072777 -3.573449 1.363491 3.512170 1.306176 0.924335 -4.653333 -2.526405 4.692192 -0.615206 -2.564370 -0.846296 4.438848 2.808961 4.742858 -0.710149 2.536852 3.066234 -0.642332 1.864221 -0.503886 3.140595 -1.769278 -0.333804 -0.095813 0.000233 -1.984730 0.690933 2.552584 -2.198742 1.273547 -2.155201 1 3 -3 0.471535 -3.055698 -1.900303 Rho 0.4361415E+07 3,-3 2 3 -3 -0.632774 3.069109 1.704704 Rho 0.4361415E+07 3,-3 3 3 -3 -0.017687 -0.102323 -3.647039 Rho 0.4361415E+07 3,-3 4 3 -3 2.445674 2.608341 0.030247 Rho 0.4361415E+07 3,-3 5 3 -3 0.153955 -0.075808 3.662354 Rho 0.4361415E+07 3,-3 6 3 -3 0.452503 -3.032295 1.861687 Rho 0.4361414E+07 3,-3 7 3 -3 3.046217 -0.600782 -1.922080 Rho 0.4361415E+07 3,-3 8 3 -3 -0.009140 0.087706 -5.410221 Rho 0.3191604E+03 3,-3 9 3 -3 3.899772 3.610515 0.016147 Rho 0.3191766E+03 3,-3 10 3 -3 -0.013325 0.187871 5.398349 Rho 0.3191926E+03 3,-3 11 3 -3 0.522684 -0.760880 -1.394136 Rho 0.3190234E+03 3,-3 12 3 -3 -1.959986 -0.350956 -0.017392 Rho 0.3192397E+03 3,-3 13 3 -3 0.130356 1.601112 0.006698 Rho 0.3189983E+03 3,-3 14 3 -3 0.553979 -0.746994 1.377426 Rho 0.3189960E+03 3,-3 15 3 -3 -1.297199 -3.065557 1.581199 Rho 0.3192303E+03 3,-3 16 3 -3 0.110553 1.704403 -3.044939 Rho 0.3188268E+03 3,-3 17 3 -3 -1.753436 -0.073617 3.160333 Rho 0.3186975E+03 3,-3 18 3 -3 2.872185 1.262935 -1.299193 Rho 0.3188526E+03 3,-3 19 3 -3 -2.289476 2.225285 -1.890103 Rho 0.3186342E+03 3,-3 20 3 -3 3.394639 -0.960327 -0.045290 Rho 0.3188321E+03 3,-3 21 3 -3 -2.213623 2.220095 1.804879 Rho 0.3191557E+03 3,-3 22 3 -3 0.923502 -3.272561 0.000270 Rho 0.3188058E+03 3,-3 23 3 -3 0.128506 1.730023 2.940857 Rho 0.3188387E+03 3,-3 24 3 -3 -1.266095 -3.234511 -1.630892 Rho 0.3192252E+03 3,-3 25 3 -3 2.903836 1.308889 1.325013 Rho 0.3188656E+03 3,-3 26 3 -3 -1.759986 -0.211577 -3.252022 Rho 0.3191721E+03 3,-3 27 3 -3 2.070903 -0.099789 -3.460744 Rho 0.3189434E+03 3,-3 28 3 -3 -0.813626 4.557212 -2.843396 Rho 0.3190761E+03 3,-3 29 3 -3 1.424777 3.505246 -1.362812 Rho 0.3188891E+03 3,-3 30 3 -3 0.139950 -1.987105 3.595528 Rho 0.3189165E+03 3,-3 31 3 -3 2.508480 -2.380353 -2.102541 Rho 0.3189715E+03 3,-3 32 3 -3 -0.997446 3.945834 0.014929 Rho 0.3188741E+03 3,-3 33 3 -3 2.405689 -2.436044 2.182541 Rho 0.3188956E+03 3,-3 34 3 -3 0.742795 -4.648954 2.540128 Rho 0.3191548E+03 3,-3 35 3 -3 2.050423 -0.054029 3.539489 Rho 0.3189099E+03 3,-3 36 3 -3 0.261034 -2.072777 -3.573449 Rho 0.3188852E+03 3,-3 37 3 -3 1.363491 3.512170 1.306176 Rho 0.3189385E+03 3,-3 38 3 -3 0.924335 -4.653333 -2.526405 Rho 0.3191621E+03 3,-3 39 3 -3 4.692192 -0.615206 -2.564370 Rho 0.3191732E+03 3,-3 40 3 -3 -0.846296 4.438848 2.808961 Rho 0.3191682E+03 3,-3 41 3 -3 4.742858 -0.710149 2.536852 Rho 0.3190647E+03 3,-3 42 3 -3 3.066234 -0.642332 1.864221 Rho 0.3882647E+07 3,-3 43 3 -3 -0.503886 3.140595 -1.769278 Rho 0.3882647E+07 3,-3 44 3 -3 -0.333804 -0.095813 0.000233 Rho 0.4276107E+05 3,-3 45 3 -3 -1.984730 0.690933 2.552584 Rho 0.4371183E+00 3,-3 46 3 -3 -2.198742 1.273547 -2.155201 Rho 0.4500314E+00 3,-3 47 3 +1 0.097745 0.882268 1.564100 Rho 0.8344757E-02 |GRAD(Rho)| 0.1237603E-16 GRAD(Rho)x 0.1533909E-17 GRAD(Rho)y -0.1151111E-16 GRAD(Rho)z -0.4278717E-17 Laplacian 0.3319852E-01 (-1/4)Del**2(Rho)) -0.8299631E-02 Diamond 0.8181076E-03 Metallicity 0.7126078E+00 Ellipticity -0.1367476E+01 Gb(Abramov) 0.6518818E-02 Vb(Abramov) -0.4738004E-02 Hb(Abramov) 0.1780813E-02 Ex_ueg -0.1250077E-02 Ec_ueg -0.2935744E-03 Delta_ex -0.1488904E-02 Delta_ec 0.4381871E-03 Delta_et -0.2995605E-02 Pxc 0.4258126E+01 Qxc -0.3397873E+01 3,+1 48 3 -1 -1.664251 -0.171406 -1.648360 Rho 0.6474214E-02 |GRAD(Rho)| 0.1317355E-16 GRAD(Rho)x 0.1110317E-17 GRAD(Rho)y 0.1212438E-17 GRAD(Rho)z -0.1307056E-16 Laplacian 0.2268249E-01 (-1/4)Del**2(Rho)) -0.5670623E-02 Diamond 0.7685722E-03 Metallicity 0.6832308E+00 Ellipticity 0.8349712E+00 Gb(Abramov) 0.4426140E-02 Vb(Abramov) -0.3181656E-02 Hb(Abramov) 0.1244484E-02 Ex_ueg -0.8911848E-03 Ec_ueg -0.2108957E-03 Delta_ex -0.1199517E-02 Delta_ec 0.7374043E-03 Delta_et -0.4317950E-02 Pxc 0.4225715E+01 Qxc -0.1626675E+01 3,-1 49 3 +3 -1.002888 0.732035 -1.665959 Rho 0.4434260E-02 |GRAD(Rho)| 0.4270596E-15 GRAD(Rho)x 0.2011600E-15 GRAD(Rho)y 0.1032901E-15 GRAD(Rho)z -0.3622785E-15 Laplacian 0.1609171E-01 (-1/4)Del**2(Rho)) -0.4022927E-02 Diamond 0.1083264E-03 Metallicity 0.5125226E+00 Ellipticity -0.4149282E+00 Gb(Abramov) 0.3025591E-02 Vb(Abramov) -0.2028256E-02 Hb(Abramov) 0.9973354E-03 Ex_ueg -0.5380385E-03 Ec_ueg -0.1226485E-03 Delta_ex -0.5519452E-03 Delta_ec 0.9613678E-04 Delta_et -0.6714885E-03 Pxc 0.4386831E+01 Qxc -0.5741249E+01 3,+3 50 3 -1 -1.725665 -0.041510 1.555838 Rho 0.7513437E-02 |GRAD(Rho)| 0.1325787E-16 GRAD(Rho)x 0.2288474E-17 GRAD(Rho)y 0.4244420E-17 GRAD(Rho)z 0.1234985E-16 Laplacian 0.2752618E-01 (-1/4)Del**2(Rho)) -0.6881545E-02 Diamond 0.1171887E-02 Metallicity 0.7215476E+00 Ellipticity 0.2336163E+00 Gb(Abramov) 0.5415257E-02 Vb(Abramov) -0.3948969E-02 Hb(Abramov) 0.1466288E-02 Ex_ueg -0.1086851E-02 Ec_ueg -0.2566297E-03 Delta_ex -0.1517066E-02 Delta_ec 0.9257732E-03 Delta_et -0.5656659E-02 Pxc 0.4235093E+01 Qxc -0.1638701E+01 3,-1 51 3 +3 -0.955033 0.739021 1.619793 Rho 0.4905013E-02 |GRAD(Rho)| 0.3065705E-16 GRAD(Rho)x 0.8854170E-17 GRAD(Rho)y -0.5609358E-17 GRAD(Rho)z 0.2880961E-16 Laplacian 0.1863026E-01 (-1/4)Del**2(Rho)) -0.4657566E-02 Diamond 0.1499334E-03 Metallicity 0.5237545E+00 Ellipticity -0.3845056E+00 Gb(Abramov) 0.3511614E-02 Vb(Abramov) -0.2365662E-02 Hb(Abramov) 0.1145952E-02 Ex_ueg -0.6155150E-03 Ec_ueg -0.1428274E-03 Delta_ex -0.6623522E-03 Delta_ec 0.1215357E-03 Delta_et -0.8446858E-03 Pxc 0.4309501E+01 Qxc -0.5449855E+01 3,+3 52 3 +1 -1.290310 1.195923 -2.669098 Rho 0.1222623E-01 |GRAD(Rho)| 0.1174084E-12 GRAD(Rho)x 0.7094489E-13 GRAD(Rho)y -0.7468482E-13 GRAD(Rho)z -0.5633588E-13 Laplacian 0.5451959E-01 (-1/4)Del**2(Rho)) -0.1362990E-01 Diamond 0.2236615E-02 Metallicity 0.8201275E+00 Ellipticity -0.1383708E+01 Gb(Abramov) 0.1094964E-01 Vb(Abramov) -0.8269383E-02 Hb(Abramov) 0.2680257E-02 Ex_ueg -0.2080216E-02 Ec_ueg -0.4700225E-03 Delta_ex -0.2691804E-02 Delta_ec 0.7053083E-03 Delta_et -0.5314621E-02 Pxc 0.4425779E+01 Qxc -0.3816492E+01 3,+1 53 3 +1 -1.430984 1.136148 -0.941258 Rho 0.6633993E-02 |GRAD(Rho)| 0.1698094E-16 GRAD(Rho)x 0.7833313E-17 GRAD(Rho)y -0.1070807E-16 GRAD(Rho)z 0.1059852E-16 Laplacian 0.2353685E-01 (-1/4)Del**2(Rho)) -0.5884211E-02 Diamond 0.5191551E-03 Metallicity 0.6857354E+00 Ellipticity -0.1685912E+01 Gb(Abramov) 0.4595310E-02 Vb(Abramov) -0.3306408E-02 Hb(Abramov) 0.1288902E-02 Ex_ueg -0.9206299E-03 Ec_ueg -0.2178940E-03 Delta_ex -0.1056498E-02 Delta_ec 0.4183774E-03 Delta_et -0.2597928E-02 Pxc 0.4225128E+01 Qxc -0.2525228E+01 3,+1 54 3 +1 -1.524407 1.074848 0.892827 Rho 0.7175312E-02 |GRAD(Rho)| 0.2897370E-17 GRAD(Rho)x -0.1377329E-17 GRAD(Rho)y -0.1043763E-17 GRAD(Rho)z -0.2325570E-17 Laplacian 0.2557810E-01 (-1/4)Del**2(Rho)) -0.6394525E-02 Diamond 0.7077111E-03 Metallicity 0.7191391E+00 Ellipticity -0.2177523E+01 Gb(Abramov) 0.5029442E-02 Vb(Abramov) -0.3664359E-02 Hb(Abramov) 0.1365083E-02 Ex_ueg -0.1022130E-02 Ec_ueg -0.2416939E-03 Delta_ex -0.1215676E-02 Delta_ec 0.5368713E-03 Delta_et -0.3350723E-02 Pxc 0.4229027E+01 Qxc -0.2264371E+01 3,+1 55 3 +1 1.353601 0.678083 -0.855132 Rho 0.6365281E-02 |GRAD(Rho)| 0.1760202E-13 GRAD(Rho)x -0.1400581E-13 GRAD(Rho)y 0.6598640E-14 GRAD(Rho)z 0.8374151E-14 Laplacian 0.2477064E-01 (-1/4)Del**2(Rho)) -0.6192661E-02 Diamond 0.4516433E-03 Metallicity 0.6081889E+00 Ellipticity -0.1362281E+01 Gb(Abramov) 0.4756158E-02 Vb(Abramov) -0.3319656E-02 Hb(Abramov) 0.1436502E-02 Ex_ueg -0.8712480E-03 Ec_ueg -0.2061314E-03 Delta_ex -0.1057396E-02 Delta_ec 0.3622344E-03 Delta_et -0.2277874E-02 Pxc 0.4226663E+01 Qxc -0.2919094E+01 3,+1 56 3 -1 -2.047516 1.210200 2.315523 Rho 0.4365214E-01 |GRAD(Rho)| 0.9033253E-16 GRAD(Rho)x -0.5262169E-17 GRAD(Rho)y 0.9017041E-16 GRAD(Rho)z -0.1253851E-17 Laplacian 0.1229197E+00 (-1/4)Del**2(Rho)) -0.3072992E-01 Diamond 0.7826776E-01 Metallicity 0.3033898E+01 Ellipticity 0.6749966E-02 Gb(Abramov) 0.3602518E-01 Vb(Abramov) -0.4132045E-01 Hb(Abramov) -0.5295265E-02 Ex_ueg -0.1135165E-01 Ec_ueg -0.2067115E-02 Delta_ex -0.1114612E-01 Delta_ec 0.6106217E-02 Delta_et -0.6255369E-01 Pxc 0.5491544E+01 Qxc -0.1825372E+01 3,-1 57 3 -1 -2.024473 0.774550 -2.561338 Rho 0.2864336E-01 |GRAD(Rho)| 0.2325042E-16 GRAD(Rho)x -0.5798563E-17 GRAD(Rho)y 0.1772787E-16 GRAD(Rho)z 0.1388097E-16 Laplacian 0.9241963E-01 (-1/4)Del**2(Rho)) -0.2310491E-01 Diamond 0.3140108E-01 Metallicity 0.1999350E+01 Ellipticity 0.1537555E-01 Gb(Abramov) 0.2310240E-01 Vb(Abramov) -0.2309990E-01 Hb(Abramov) 0.2504521E-05 Ex_ueg -0.6472672E-02 Ec_ueg -0.1273844E-02 Delta_ex -0.7485574E-02 Delta_ec 0.4289124E-02 Delta_et -0.3877777E-01 Pxc 0.5081210E+01 Qxc -0.1745245E+01 3,-1 58 3 -1 -1.893472 0.946899 0.951356 Rho 0.7447389E-02 |GRAD(Rho)| 0.1199498E-16 GRAD(Rho)x -0.7413590E-18 GRAD(Rho)y 0.1137857E-16 GRAD(Rho)z 0.3722654E-17 Laplacian 0.2657237E-01 (-1/4)Del**2(Rho)) -0.6643093E-02 Diamond 0.1116548E-02 Metallicity 0.7365286E+00 Ellipticity 0.5114240E+00 Gb(Abramov) 0.5244200E-02 Vb(Abramov) -0.3845307E-02 Hb(Abramov) 0.1398893E-02 Ex_ueg -0.1074131E-02 Ec_ueg -0.2537081E-03 Delta_ex -0.1461173E-02 Delta_ec 0.8923755E-03 Delta_et -0.5438638E-02 Pxc 0.4233727E+01 Qxc -0.1637397E+01 3,-1 59 3 +1 -1.224209 1.317135 2.584518 Rho 0.1492351E-01 |GRAD(Rho)| 0.8299346E-15 GRAD(Rho)x -0.6432804E-15 GRAD(Rho)y 0.3419388E-15 GRAD(Rho)z -0.3975672E-15 Laplacian 0.6929086E-01 (-1/4)Del**2(Rho)) -0.1732271E-01 Diamond 0.3789309E-02 Metallicity 0.8996127E+00 Ellipticity -0.1434786E+01 Gb(Abramov) 0.1414577E-01 Vb(Abramov) -0.1096882E-01 Hb(Abramov) 0.3176949E-02 Ex_ueg -0.2713604E-02 Ec_ueg -0.5961562E-03 Delta_ex -0.3618662E-02 Delta_ec 0.9160976E-03 Delta_et -0.7229979E-02 Pxc 0.4551833E+01 Qxc -0.3950083E+01 3,+1 60 3 +3 1.754367 0.238053 0.005887 Rho 0.3581391E-02 |GRAD(Rho)| 0.8446219E-13 GRAD(Rho)x 0.4770779E-13 GRAD(Rho)y 0.4363570E-13 GRAD(Rho)z 0.5434845E-13 Laplacian 0.1371760E-01 (-1/4)Del**2(Rho)) -0.3429399E-02 Diamond 0.6892861E-04 Metallicity 0.4211350E+00 Ellipticity -0.1177351E+00 Gb(Abramov) 0.2526973E-02 Vb(Abramov) -0.1624546E-02 Hb(Abramov) 0.9024263E-03 Ex_ueg -0.4046883E-03 Ec_ueg -0.8638458E-04 Delta_ex -0.4443266E-03 Delta_ec 0.8161459E-04 Delta_et -0.5458288E-03 Pxc 0.4684729E+01 Qxc -0.5444206E+01 3,+3 61 3 +1 -1.246268 -0.118398 1.613985 Rho 0.7036935E-02 |GRAD(Rho)| 0.3652790E-14 GRAD(Rho)x 0.3142836E-14 GRAD(Rho)y -0.9147215E-15 GRAD(Rho)z -0.1621341E-14 Laplacian 0.2574365E-01 (-1/4)Del**2(Rho)) -0.6435913E-02 Diamond 0.6852527E-03 Metallicity 0.6916966E+00 Ellipticity -0.1988700E+01 Gb(Abramov) 0.5032558E-02 Vb(Abramov) -0.3629204E-02 Hb(Abramov) 0.1403354E-02 Ex_ueg -0.9959323E-03 Ec_ueg -0.2355968E-03 Delta_ex -0.1213101E-02 Delta_ec 0.5313927E-03 Delta_et -0.3303498E-02 Pxc 0.4227274E+01 Qxc -0.2282871E+01 3,+1 62 3 +1 -1.381599 -0.194338 -1.658490 Rho 0.6383326E-02 |GRAD(Rho)| 0.1293470E-16 GRAD(Rho)x 0.1490801E-17 GRAD(Rho)y -0.4479073E-18 GRAD(Rho)z 0.1284069E-16 Laplacian 0.2268056E-01 (-1/4)Del**2(Rho)) -0.5670139E-02 Diamond 0.5823546E-03 Metallicity 0.6673769E+00 Ellipticity -0.2552098E+01 Gb(Abramov) 0.4410780E-02 Vb(Abramov) -0.3151420E-02 Hb(Abramov) 0.1259360E-02 Ex_ueg -0.8745429E-03 Ec_ueg -0.2069202E-03 Delta_ex -0.1080966E-02 Delta_ec 0.5318515E-03 Delta_et -0.3178805E-02 Pxc 0.4226474E+01 Qxc -0.2032459E+01 3,+1 63 3 -1 -1.126360 -0.220470 -0.007871 Rho 0.2074601E+00 |GRAD(Rho)| 0.3637455E-15 GRAD(Rho)x 0.3608225E-15 GRAD(Rho)y 0.4597017E-16 GRAD(Rho)z 0.2168404E-17 Laplacian 0.6030470E+00 (-1/4)Del**2(Rho)) -0.1507618E+00 Diamond 0.1734439E+01 Metallicity 0.8307804E+01 Ellipticity 0.1148346E-02 Gb(Abramov) 0.3092577E+00 Vb(Abramov) -0.4677536E+00 Hb(Abramov) -0.1584959E+00 Ex_ueg -0.9070498E-01 Ec_ueg -0.1221880E-01 Delta_ex -0.6980362E-01 Delta_ec 0.1325031E-01 Delta_et -0.1797935E+00 Pxc 0.7423396E+01 Qxc -0.5268074E+01 3,-1 64 3 -1 -0.850086 -0.057807 3.379293 Rho 0.1356133E+00 |GRAD(Rho)| 0.1226336E-15 GRAD(Rho)x -0.1148712E-15 GRAD(Rho)y -0.3915833E-17 GRAD(Rho)z 0.4275822E-16 Laplacian 0.5172810E+00 (-1/4)Del**2(Rho)) -0.1293203E+00 Diamond 0.9402268E+00 Metallicity 0.4768593E+01 Ellipticity 0.1086556E+00 Gb(Abramov) 0.1889928E+00 Vb(Abramov) -0.2486653E+00 Hb(Abramov) -0.5967252E-01 Ex_ueg -0.5145820E-01 Ec_ueg -0.7529017E-02 Delta_ex -0.5433165E-01 Delta_ec 0.1368735E-01 Delta_et -0.1799813E+00 Pxc 0.6834651E+01 Qxc -0.3969478E+01 3,-1 65 3 -1 -1.995180 0.827860 -1.088037 Rho 0.7824279E-02 |GRAD(Rho)| 0.8345984E-17 GRAD(Rho)x 0.3406524E-17 GRAD(Rho)y 0.6716156E-17 GRAD(Rho)z 0.3597816E-17 Laplacian 0.2810419E-01 (-1/4)Del**2(Rho)) -0.7026048E-02 Diamond 0.1337171E-02 Metallicity 0.7561059E+00 Ellipticity 0.2167876E+00 Gb(Abramov) 0.5569438E-02 Vb(Abramov) -0.4112828E-02 Hb(Abramov) 0.1456610E-02 Ex_ueg -0.1147213E-02 Ec_ueg -0.2704070E-03 Delta_ex -0.1599149E-02 Delta_ec 0.1012277E-02 Delta_et -0.6237424E-02 Pxc 0.4242543E+01 Qxc -0.1579754E+01 3,-1 66 3 +1 1.669892 -0.729443 -0.021842 Rho 0.5708736E-02 |GRAD(Rho)| 0.8634195E-16 GRAD(Rho)x 0.4326536E-16 GRAD(Rho)y -0.6049151E-17 GRAD(Rho)z -0.7447449E-16 Laplacian 0.2144666E-01 (-1/4)Del**2(Rho)) -0.5361666E-02 Diamond 0.3358499E-03 Metallicity 0.5858953E+00 Ellipticity -0.1354365E+01 Gb(Abramov) 0.4098006E-02 Vb(Abramov) -0.2834347E-02 Hb(Abramov) 0.1263659E-02 Ex_ueg -0.7535377E-03 Ec_ueg -0.1775389E-03 Delta_ex -0.8904238E-03 Delta_ec 0.3114980E-03 Delta_et -0.1904918E-02 Pxc 0.4244351E+01 Qxc -0.2858521E+01 3,+1 67 3 +1 2.121105 -2.089242 -0.016887 Rho 0.4587466E-02 |GRAD(Rho)| 0.2135915E-16 GRAD(Rho)x 0.1198697E-16 GRAD(Rho)y 0.1350302E-16 GRAD(Rho)z -0.1141026E-16 Laplacian 0.1808446E-01 (-1/4)Del**2(Rho)) -0.4521115E-02 Diamond 0.4057860E-03 Metallicity 0.4826093E+00 Ellipticity -0.7318101E+01 Gb(Abramov) 0.3377732E-02 Vb(Abramov) -0.2234349E-02 Hb(Abramov) 0.1143383E-02 Ex_ueg -0.5629660E-03 Ec_ueg -0.1292032E-03 Delta_ex -0.9158172E-03 Delta_ec 0.6255159E-03 Delta_et -0.3287423E-02 Pxc 0.4357214E+01 Qxc -0.1464099E+01 3,+1 68 3 +1 1.381559 0.699890 0.868543 Rho 0.6290054E-02 |GRAD(Rho)| 0.4278975E-17 GRAD(Rho)x -0.2941572E-17 GRAD(Rho)y 0.6299291E-18 GRAD(Rho)z -0.3043021E-17 Laplacian 0.2427008E-01 (-1/4)Del**2(Rho)) -0.6067521E-02 Diamond 0.4294420E-03 Metallicity 0.6085541E+00 Ellipticity -0.1352921E+01 Gb(Abramov) 0.4660416E-02 Vb(Abramov) -0.3253312E-02 Hb(Abramov) 0.1407104E-02 Ex_ueg -0.8575462E-03 Ec_ueg -0.2028446E-03 Delta_ex -0.1028928E-02 Delta_ec 0.3475959E-03 Delta_et -0.2185127E-02 Pxc 0.4227601E+01 Qxc -0.2960126E+01 3,+1 69 3 -1 -0.954135 -0.161043 -3.429661 Rho 0.2125397E+00 |GRAD(Rho)| 0.2966442E-13 GRAD(Rho)x 0.2175430E-13 GRAD(Rho)y 0.1993226E-13 GRAD(Rho)z 0.3071328E-14 Laplacian 0.8257219E+00 (-1/4)Del**2(Rho)) -0.2064305E+00 Diamond 0.2501134E+01 Metallicity 0.6317025E+01 Ellipticity 0.1243061E-01 Gb(Abramov) 0.3549581E+00 Vb(Abramov) -0.5034857E+00 Hb(Abramov) -0.1485276E+00 Ex_ueg -0.9367816E-01 Ec_ueg -0.1256155E-01 Delta_ex -0.9653108E-01 Delta_ec 0.1864522E-01 Delta_et -0.2557817E+00 Pxc 0.7457531E+01 Qxc -0.5177257E+01 3,-1 70 3 -1 -1.435839 2.637887 -1.836481 Rho 0.1217838E+00 |GRAD(Rho)| 0.2911990E-15 GRAD(Rho)x -0.2209740E-15 GRAD(Rho)y -0.1791373E-15 GRAD(Rho)z -0.6226709E-16 Laplacian 0.4822440E+00 (-1/4)Del**2(Rho)) -0.1205610E+00 Diamond 0.7912005E+00 Metallicity 0.4275587E+01 Ellipticity 0.1076368E+00 Gb(Abramov) 0.1662855E+00 Vb(Abramov) -0.2120100E+00 Hb(Abramov) -0.4572451E-01 Ex_ueg -0.4458320E-01 Ec_ueg -0.6662579E-02 Delta_ex -0.4963730E-01 Delta_ec 0.1358040E-01 Delta_et -0.1761996E+00 Pxc 0.6691583E+01 Qxc -0.3655070E+01 3,-1 71 3 -1 -1.479792 2.607128 1.757886 Rho 0.2086626E+00 |GRAD(Rho)| 0.3018802E-08 GRAD(Rho)x -0.2646546E-08 GRAD(Rho)y -0.1442644E-08 GRAD(Rho)z 0.1665476E-09 Laplacian 0.8124230E+00 (-1/4)Del**2(Rho)) -0.2031058E+00 Diamond 0.2410522E+01 Metallicity 0.6226421E+01 Ellipticity 0.1819221E-01 Gb(Abramov) 0.3461742E+00 Vb(Abramov) -0.4892426E+00 Hb(Abramov) -0.1430684E+00 Ex_ueg -0.9140664E-01 Ec_ueg -0.1229981E-01 Delta_ex -0.9454947E-01 Delta_ec 0.1848100E-01 Delta_et -0.2533911E+00 Pxc 0.7431550E+01 Qxc -0.5116037E+01 3,-1 72 3 +1 0.062764 0.915357 -1.586362 Rho 0.7569764E-02 |GRAD(Rho)| 0.5430139E-17 GRAD(Rho)x 0.1736651E-17 GRAD(Rho)y -0.4817348E-17 GRAD(Rho)z -0.1806546E-17 Laplacian 0.2891633E-01 (-1/4)Del**2(Rho)) -0.7229084E-02 Diamond 0.6273737E-03 Metallicity 0.6954626E+00 Ellipticity -0.1378547E+01 Gb(Abramov) 0.5657315E-02 Vb(Abramov) -0.4085547E-02 Hb(Abramov) 0.1571768E-02 Ex_ueg -0.1097728E-02 Ec_ueg -0.2591230E-03 Delta_ex -0.1266954E-02 Delta_ec 0.3849222E-03 Delta_et -0.2564159E-02 Pxc 0.4236322E+01 Qxc -0.3291456E+01 3,+1 73 3 -1 -0.761526 3.553780 -0.820377 Rho 0.1163730E+00 |GRAD(Rho)| 0.9306274E-14 GRAD(Rho)x 0.8828499E-14 GRAD(Rho)y -0.5115401E-15 GRAD(Rho)z -0.2898736E-14 Laplacian 0.4769267E+00 (-1/4)Del**2(Rho)) -0.1192317E+00 Diamond 0.7354935E+00 Metallicity 0.4007882E+01 Ellipticity 0.2506826E-01 Gb(Abramov) 0.1591322E+00 Vb(Abramov) -0.1990328E+00 Hb(Abramov) -0.3990053E-01 Ex_ueg -0.4196184E-01 Ec_ueg -0.6327123E-02 Delta_ex -0.4849302E-01 Delta_ec 0.1343646E-01 Delta_et -0.1726715E+00 Pxc 0.6632057E+01 Qxc -0.3609064E+01 3,-1 74 3 +1 0.750802 2.523131 -0.679071 Rho 0.2375428E-01 |GRAD(Rho)| 0.8761899E-16 GRAD(Rho)x -0.3189219E-16 GRAD(Rho)y 0.8096262E-16 GRAD(Rho)z -0.1024843E-16 Laplacian 0.8930959E-01 (-1/4)Del**2(Rho)) -0.2232740E-01 Diamond 0.1170166E-01 Metallicity 0.1514554E+01 Ellipticity -0.8197274E+01 Gb(Abramov) 0.2052094E-01 Vb(Abramov) -0.1871448E-01 Hb(Abramov) 0.1806458E-02 Ex_ueg -0.5043215E-02 Ec_ueg -0.1026201E-02 Delta_ex -0.5574073E-02 Delta_ec 0.1684579E-02 Delta_et -0.1463946E-01 Pxc 0.4914453E+01 Qxc -0.3308883E+01 3,+1 75 3 -1 -0.818123 3.521242 0.798695 Rho 0.1455055E+00 |GRAD(Rho)| 0.8219636E-13 GRAD(Rho)x 0.5223745E-13 GRAD(Rho)y 0.4983217E-13 GRAD(Rho)z -0.3929688E-13 Laplacian 0.5589086E+00 (-1/4)Del**2(Rho)) -0.1397272E+00 Diamond 0.1098383E+01 Metallicity 0.4962926E+01 Ellipticity 0.2941571E-01 Gb(Abramov) 0.2087274E+00 Vb(Abramov) -0.2777276E+00 Hb(Abramov) -0.6900020E-01 Ex_ueg -0.5652285E-01 Ec_ueg -0.8156422E-02 Delta_ex -0.5964158E-01 Delta_ec 0.1440633E-01 Delta_et -0.1912129E+00 Pxc 0.6929859E+01 Qxc -0.4139958E+01 3,-1 76 3 +1 0.510272 3.410303 -0.033688 Rho 0.1158909E-01 |GRAD(Rho)| 0.5865033E-17 GRAD(Rho)x 0.2586852E-17 GRAD(Rho)y -0.4271916E-17 GRAD(Rho)z 0.3075312E-17 Laplacian 0.5096264E-01 (-1/4)Del**2(Rho)) -0.1274066E-01 Diamond 0.1428094E-02 Metallicity 0.8024965E+00 Ellipticity -0.1091429E+01 Gb(Abramov) 0.1019783E-01 Vb(Abramov) -0.7654999E-02 Hb(Abramov) 0.2542831E-02 Ex_ueg -0.1936945E-02 Ec_ueg -0.4406331E-03 Delta_ex -0.2325123E-02 Delta_ec 0.3811337E-03 Delta_et -0.3052944E-02 Pxc 0.4395822E+01 Qxc -0.6100545E+01 3,+1 77 3 +1 -0.425653 2.742127 -0.269736 Rho 0.2650142E-01 |GRAD(Rho)| 0.1824809E-16 GRAD(Rho)x 0.1001574E-16 GRAD(Rho)y -0.8898637E-17 GRAD(Rho)z -0.1238918E-16 Laplacian 0.9985442E-01 (-1/4)Del**2(Rho)) -0.2496360E-01 Diamond 0.1255676E-01 Metallicity 0.1625653E+01 Ellipticity -0.2700638E+01 Gb(Abramov) 0.2340610E-01 Vb(Abramov) -0.2184859E-01 Hb(Abramov) 0.1557509E-02 Ex_ueg -0.5835489E-02 Ec_ueg -0.1164602E-02 Delta_ex -0.6147808E-02 Delta_ec 0.1408285E-02 Delta_et -0.1266315E-01 Pxc 0.5010717E+01 Qxc -0.4365456E+01 3,+1 78 3 -1 0.420343 3.287387 1.485310 Rho 0.1010375E+00 |GRAD(Rho)| 0.1652996E-13 GRAD(Rho)x -0.1453673E-13 GRAD(Rho)y 0.3570806E-14 GRAD(Rho)z -0.7012306E-14 Laplacian 0.4066809E+00 (-1/4)Del**2(Rho)) -0.1016702E+00 Diamond 0.5087333E+00 Metallicity 0.3713904E+01 Ellipticity 0.2118189E-01 Gb(Abramov) 0.1307124E+00 Vb(Abramov) -0.1597546E+00 Hb(Abramov) -0.2904217E-01 Ex_ueg -0.3475592E-01 Ec_ueg -0.5387945E-02 Delta_ex -0.3967019E-01 Delta_ec 0.1121198E-01 Delta_et -0.1394329E+00 Pxc 0.6450681E+01 Qxc -0.3538196E+01 3,-1 79 3 -1 -0.249847 2.288878 0.840205 Rho 0.5101615E-01 |GRAD(Rho)| 0.1626857E-15 GRAD(Rho)x -0.8221514E-16 GRAD(Rho)y 0.1058330E-15 GRAD(Rho)z 0.9223172E-16 Laplacian 0.1934273E+00 (-1/4)Del**2(Rho)) -0.4835682E-01 Diamond 0.9947007E-01 Metallicity 0.2500009E+01 Ellipticity 0.1639663E-01 Gb(Abramov) 0.5238663E-01 Vb(Abramov) -0.5641643E-01 Hb(Abramov) -0.4029805E-02 Ex_ueg -0.1397425E-01 Ec_ueg -0.2471119E-02 Delta_ex -0.1594775E-01 Delta_ec 0.5664926E-02 Delta_et -0.6002017E-01 Pxc 0.5655030E+01 Qxc -0.2815174E+01 3,-1 80 3 +1 0.503631 -1.736457 -0.008510 Rho 0.8999483E-02 |GRAD(Rho)| 0.1352266E-16 GRAD(Rho)x 0.3721042E-17 GRAD(Rho)y 0.6245121E-17 GRAD(Rho)z 0.1140240E-16 Laplacian 0.3595737E-01 (-1/4)Del**2(Rho)) -0.8989343E-02 Diamond 0.9828597E-03 Metallicity 0.7461987E+00 Ellipticity -0.1391777E+01 Gb(Abramov) 0.7110868E-02 Vb(Abramov) -0.5232393E-02 Hb(Abramov) 0.1878475E-02 Ex_ueg -0.1382532E-02 Ec_ueg -0.3228893E-03 Delta_ex -0.1644376E-02 Delta_ec 0.4750438E-03 Delta_et -0.3309745E-02 Pxc 0.4281752E+01 Qxc -0.3461524E+01 3,+1 81 3 -1 1.490351 1.504517 2.098015 Rho 0.5739087E-02 |GRAD(Rho)| 0.2300371E-16 GRAD(Rho)x 0.2141091E-16 GRAD(Rho)y 0.4546157E-17 GRAD(Rho)z -0.7076452E-17 Laplacian 0.2291700E-01 (-1/4)Del**2(Rho)) -0.5729251E-02 Diamond 0.7475286E-03 Metallicity 0.5531718E+00 Ellipticity 0.2686571E+01 Gb(Abramov) 0.4347711E-02 Vb(Abramov) -0.2966170E-02 Hb(Abramov) 0.1381540E-02 Ex_ueg -0.7588842E-03 Ec_ueg -0.1788561E-03 Delta_ex -0.1250983E-02 Delta_ec 0.8654284E-03 Delta_et -0.4841280E-02 Pxc 0.4242987E+01 Qxc -0.1445507E+01 3,-1 82 3 +3 0.486645 3.276858 -0.034141 Rho 0.1156125E-01 |GRAD(Rho)| 0.1878769E-16 GRAD(Rho)x -0.2049531E-18 GRAD(Rho)y 0.3653680E-17 GRAD(Rho)z -0.1842786E-16 Laplacian 0.5037543E-01 (-1/4)Del**2(Rho)) -0.1259386E-01 Diamond 0.1142132E-02 Metallicity 0.8086037E+00 Ellipticity -0.8754705E+00 Gb(Abramov) 0.1009314E-01 Vb(Abramov) -0.7592432E-02 Hb(Abramov) 0.2500712E-02 Ex_ueg -0.1930744E-02 Ec_ueg -0.4393528E-03 Delta_ex -0.2216358E-02 Delta_ec 0.2331555E-03 Delta_et -0.2061981E-02 Pxc 0.4394519E+01 Qxc -0.9505924E+01 3,+3 83 3 -1 0.362147 -2.517870 -2.778372 Rho 0.1406165E+00 |GRAD(Rho)| 0.3245499E-09 GRAD(Rho)x 0.3438059E-10 GRAD(Rho)y -0.1686718E-09 GRAD(Rho)z 0.2751371E-09 Laplacian 0.5375169E+00 (-1/4)Del**2(Rho)) -0.1343792E+00 Diamond 0.1019422E+01 Metallicity 0.4874702E+01 Ellipticity 0.4159056E-01 Gb(Abramov) 0.1987626E+00 Vb(Abramov) -0.2631460E+00 Hb(Abramov) -0.6438339E-01 Ex_ueg -0.5400493E-01 Ec_ueg -0.7845567E-02 Delta_ex -0.5694328E-01 Delta_ec 0.1407896E-01 Delta_et -0.1861429E+00 Pxc 0.6883496E+01 Qxc -0.4044567E+01 3,-1 84 3 -1 1.750577 -0.677978 -1.640595 Rho 0.3098929E-01 |GRAD(Rho)| 0.1080816E-15 GRAD(Rho)x -0.1072616E-15 GRAD(Rho)y -0.7555044E-17 GRAD(Rho)z 0.1093236E-16 Laplacian 0.1143390E+00 (-1/4)Del**2(Rho)) -0.2858475E-01 Diamond 0.2822952E-01 Metallicity 0.1842630E+01 Ellipticity 0.5003450E-01 Gb(Abramov) 0.2783502E-01 Vb(Abramov) -0.2708529E-01 Hb(Abramov) 0.7497291E-03 Ex_ueg -0.7188980E-02 Ec_ueg -0.1394748E-02 Delta_ex -0.8196835E-02 Delta_ec 0.3123590E-02 Delta_et -0.2895894E-01 Pxc 0.5154321E+01 Qxc -0.2624171E+01 3,-1 85 3 +1 1.535627 -1.502639 -1.728487 Rho 0.2383305E-01 |GRAD(Rho)| 0.2640444E-16 GRAD(Rho)x 0.2302940E-16 GRAD(Rho)y 0.1182228E-16 GRAD(Rho)z 0.5203373E-17 Laplacian 0.9290343E-01 (-1/4)Del**2(Rho)) -0.2322586E-01 Diamond 0.1247619E-01 Metallicity 0.1464021E+01 Ellipticity -0.7188487E+01 Gb(Abramov) 0.2115110E-01 Vb(Abramov) -0.1907634E-01 Hb(Abramov) 0.2074760E-02 Ex_ueg -0.5065526E-02 Ec_ueg -0.1030141E-02 Delta_ex -0.5832130E-02 Delta_ec 0.1803659E-02 Delta_et -0.1567532E-01 Pxc 0.4917312E+01 Qxc -0.3233500E+01 3,+1 86 3 -1 -0.669960 3.901671 -2.345204 Rho 0.2045278E+00 |GRAD(Rho)| 0.7958198E-12 GRAD(Rho)x 0.1352267E-12 GRAD(Rho)y -0.6242706E-12 GRAD(Rho)z 0.4746884E-12 Laplacian 0.7748900E+00 (-1/4)Del**2(Rho)) -0.1937225E+00 Diamond 0.2265508E+01 Metallicity 0.6313844E+01 Ellipticity 0.5973031E-02 Gb(Abramov) 0.3330039E+00 Vb(Abramov) -0.4722854E+00 Hb(Abramov) -0.1392814E+00 Ex_ueg -0.8899965E-01 Ec_ueg -0.1202159E-01 Delta_ex -0.8985699E-01 Delta_ec 0.1797319E-01 Delta_et -0.2469923E+00 Pxc 0.7403316E+01 Qxc -0.4999500E+01 3,-1 87 3 -1 -0.747030 3.808149 2.299236 Rho 0.2223948E+00 |GRAD(Rho)| 0.3343208E-15 GRAD(Rho)x -0.5075421E-16 GRAD(Rho)y 0.3205986E-15 GRAD(Rho)z -0.8006833E-16 Laplacian 0.8292766E+00 (-1/4)Del**2(Rho)) -0.2073191E+00 Diamond 0.2676286E+01 Metallicity 0.6783518E+01 Ellipticity 0.1299932E-01 Gb(Abramov) 0.3726049E+00 Vb(Abramov) -0.5378907E+00 Hb(Abramov) -0.1652858E+00 Ex_ueg -0.9951411E-01 Ec_ueg -0.1323062E-01 Delta_ex -0.9822967E-01 Delta_ec 0.1873342E-01 Delta_et -0.2586327E+00 Pxc 0.7521503E+01 Qxc -0.5243552E+01 3,-1 88 3 -1 -0.490877 -3.045505 1.712507 Rho 0.2217853E+00 |GRAD(Rho)| 0.4617399E-13 GRAD(Rho)x 0.2420601E-13 GRAD(Rho)y 0.3730434E-13 GRAD(Rho)z -0.1242952E-13 Laplacian 0.8804446E+00 (-1/4)Del**2(Rho)) -0.2201111E+00 Diamond 0.2787633E+01 Metallicity 0.6360127E+01 Ellipticity 0.1312624E-01 Gb(Abramov) 0.3800632E+00 Vb(Abramov) -0.5400153E+00 Hb(Abramov) -0.1599521E+00 Ex_ueg -0.9915062E-01 Ec_ueg -0.1318908E-01 Delta_ex -0.1039539E+00 Delta_ec 0.1943594E-01 Delta_et -0.2664207E+00 Pxc 0.7517630E+01 Qxc -0.5348540E+01 3,-1 89 3 -1 -0.465685 -3.149712 -1.755223 Rho 0.2247462E+00 |GRAD(Rho)| 0.2601417E-13 GRAD(Rho)x 0.1793260E-13 GRAD(Rho)y -0.1660855E-13 GRAD(Rho)z -0.8905921E-14 Laplacian 0.8754924E+00 (-1/4)Del**2(Rho)) -0.2188731E+00 Diamond 0.2829158E+01 Metallicity 0.6539052E+01 Ellipticity 0.7441280E-02 Gb(Abramov) 0.3844525E+00 Vb(Abramov) -0.5500319E+00 Hb(Abramov) -0.1655794E+00 Ex_ueg -0.1009195E+00 Ec_ueg -0.1339104E-01 Delta_ex -0.1037996E+00 Delta_ec 0.1938327E-01 Delta_et -0.2663946E+00 Pxc 0.7536342E+01 Qxc -0.5355113E+01 3,-1 90 3 -1 0.242812 -0.425859 -2.475533 Rho 0.4658062E-01 |GRAD(Rho)| 0.7299814E-16 GRAD(Rho)x -0.2311839E-16 GRAD(Rho)y 0.1490312E-16 GRAD(Rho)z -0.6761779E-16 Laplacian 0.1754660E+00 (-1/4)Del**2(Rho)) -0.4386651E-01 Diamond 0.7972272E-01 Metallicity 0.2368257E+01 Ellipticity 0.1311729E-01 Gb(Abramov) 0.4655887E-01 Vb(Abramov) -0.4925123E-01 Hb(Abramov) -0.2692359E-02 Ex_ueg -0.1237824E-01 Ec_ueg -0.2226753E-02 Delta_ex -0.1413819E-01 Delta_ec 0.5141333E-02 Delta_et -0.5319508E-01 Pxc 0.5558871E+01 Qxc -0.2749907E+01 3,-1 91 3 -1 0.048450 0.856303 -3.314849 Rho 0.1530775E+00 |GRAD(Rho)| 0.2517813E-15 GRAD(Rho)x -0.4169266E-16 GRAD(Rho)y -0.1848023E-15 GRAD(Rho)z -0.1658423E-15 Laplacian 0.6224151E+00 (-1/4)Del**2(Rho)) -0.1556038E+00 Diamond 0.1293392E+01 Metallicity 0.4849744E+01 Ellipticity 0.1193788E-01 Gb(Abramov) 0.2295089E+00 Vb(Abramov) -0.3034141E+00 Hb(Abramov) -0.7390516E-01 Ex_ueg -0.6047841E-01 Ec_ueg -0.8640811E-02 Delta_ex -0.6718544E-01 Delta_ec 0.1572836E-01 Delta_et -0.2099983E+00 Pxc 0.6999159E+01 Qxc -0.4271611E+01 3,-1 92 3 -1 -0.110929 0.719506 0.003836 Rho 0.1623886E+00 |GRAD(Rho)| 0.2125826E-14 GRAD(Rho)x -0.5481726E-15 GRAD(Rho)y -0.2053913E-14 GRAD(Rho)z -0.9378349E-17 Laplacian 0.3890850E+00 (-1/4)Del**2(Rho)) -0.9727126E-01 Diamond 0.8864124E+00 Metallicity 0.8560414E+01 Ellipticity 0.7892972E-02 Gb(Abramov) 0.2036279E+00 Vb(Abramov) -0.3099845E+00 Hb(Abramov) -0.1063566E+00 Ex_ueg -0.6543236E-01 Ec_ueg -0.9241226E-02 Delta_ex -0.4278254E-01 Delta_ec 0.9982339E-02 Delta_et -0.1350746E+00 Pxc 0.7080485E+01 Qxc -0.4285823E+01 3,-1 93 3 -1 0.128948 0.877854 3.264121 Rho 0.1391588E+00 |GRAD(Rho)| 0.3689135E-13 GRAD(Rho)x -0.3050191E-13 GRAD(Rho)y 0.1967469E-13 GRAD(Rho)z -0.6596340E-14 Laplacian 0.5726041E+00 (-1/4)Del**2(Rho)) -0.1431510E+00 Diamond 0.1056807E+01 Metallicity 0.4497209E+01 Ellipticity 0.1486849E-01 Gb(Abramov) 0.2027307E+00 Vb(Abramov) -0.2623104E+00 Hb(Abramov) -0.5957968E-01 Ex_ueg -0.5325976E-01 Ec_ueg -0.7753174E-02 Delta_ex -0.6033482E-01 Delta_ec 0.1472821E-01 Delta_et -0.1937886E+00 Pxc 0.6869414E+01 Qxc -0.4096547E+01 3,-1 94 3 +1 1.345814 -0.438760 -2.350148 Rho 0.2345608E-01 |GRAD(Rho)| 0.2271159E-16 GRAD(Rho)x -0.2280680E-17 GRAD(Rho)y -0.5588088E-17 GRAD(Rho)z 0.2189494E-16 Laplacian 0.9121510E-01 (-1/4)Del**2(Rho)) -0.2280377E-01 Diamond 0.1197092E-01 Metallicity 0.1452018E+01 Ellipticity -0.6734948E+01 Gb(Abramov) 0.2072110E-01 Vb(Abramov) -0.1863842E-01 Hb(Abramov) 0.2082676E-02 Ex_ueg -0.4958979E-02 Ec_ueg -0.1011299E-02 Delta_ex -0.5700838E-02 Delta_ec 0.1768041E-02 Delta_et -0.1530354E-01 Pxc 0.4903575E+01 Qxc -0.3224381E+01 3,+1 95 3 +1 -1.844073 0.275833 -1.604932 Rho 0.5962182E-02 |GRAD(Rho)| 0.1167748E-11 GRAD(Rho)x -0.1067270E-11 GRAD(Rho)y -0.3794573E-12 GRAD(Rho)z -0.2838688E-12 Laplacian 0.2034381E-01 (-1/4)Del**2(Rho)) -0.5085952E-02 Diamond 0.3870977E-03 Metallicity 0.6640330E+00 Ellipticity -0.1681637E+01 Gb(Abramov) 0.3953508E-02 Vb(Abramov) -0.2821064E-02 Hb(Abramov) 0.1132444E-02 Ex_ueg -0.7984702E-03 Ec_ueg -0.1885516E-03 Delta_ex -0.8897046E-03 Delta_ec 0.3599852E-03 Delta_et -0.2171728E-02 Pxc 0.4234758E+01 Qxc -0.2471503E+01 3,+1 96 3 -1 0.490525 -1.853655 1.589621 Rho 0.5502002E-01 |GRAD(Rho)| 0.8490127E-15 GRAD(Rho)x 0.1880448E-16 GRAD(Rho)y 0.8273259E-15 GRAD(Rho)z -0.1897388E-15 Laplacian 0.2108675E+00 (-1/4)Del**2(Rho)) -0.5271687E-01 Diamond 0.1210269E+00 Metallicity 0.2600987E+01 Ellipticity 0.2442118E-01 Gb(Abramov) 0.5799723E-01 Vb(Abramov) -0.6327759E-01 Hb(Abramov) -0.5280359E-02 Ex_ueg -0.1545537E-01 Ec_ueg -0.2694185E-02 Delta_ex -0.1775457E-01 Delta_ec 0.6229989E-02 Delta_et -0.6732473E-01 Pxc 0.5736566E+01 Qxc -0.2849856E+01 3,-1 97 3 +1 0.326225 -1.270442 -2.530665 Rho 0.2893005E-01 |GRAD(Rho)| 0.2463477E-16 GRAD(Rho)x -0.4579758E-17 GRAD(Rho)y -0.6491830E-17 GRAD(Rho)z -0.2331853E-16 Laplacian 0.1141638E+00 (-1/4)Del**2(Rho)) -0.2854095E-01 Diamond 0.1823758E-01 Metallicity 0.1645635E+01 Ellipticity -0.4586601E+01 Gb(Abramov) 0.2685529E-01 Vb(Abramov) -0.2516964E-01 Hb(Abramov) 0.1685654E-02 Ex_ueg -0.6559197E-02 Ec_ueg -0.1288551E-02 Delta_ex -0.7382300E-02 Delta_ec 0.1934102E-02 Delta_et -0.1768598E-01 Pxc 0.5090366E+01 Qxc -0.3816913E+01 3,+1 98 3 +1 0.336646 -1.400290 2.438233 Rho 0.2844091E-01 |GRAD(Rho)| 0.4655061E-16 GRAD(Rho)x 0.1354581E-16 GRAD(Rho)y -0.1334177E-16 GRAD(Rho)z -0.4249080E-16 Laplacian 0.1139572E+00 (-1/4)Del**2(Rho)) -0.2848929E-01 Diamond 0.1863097E-01 Metallicity 0.1602424E+01 Ellipticity -0.5868456E+01 Gb(Abramov) 0.2660151E-01 Vb(Abramov) -0.2471374E-01 Hb(Abramov) 0.1887777E-02 Ex_ueg -0.6411747E-02 Ec_ueg -0.1263472E-02 Delta_ex -0.7412814E-02 Delta_ec 0.2069257E-02 Delta_et -0.1882641E-01 Pxc 0.5074707E+01 Qxc -0.3582355E+01 3,+1 99 3 -1 0.134248 -1.143017 -3.589228 Rho 0.1267994E+00 |GRAD(Rho)| 0.4108027E-15 GRAD(Rho)x 0.2057274E-16 GRAD(Rho)y -0.4048275E-15 GRAD(Rho)z 0.6671062E-16 Laplacian 0.4948441E+00 (-1/4)Del**2(Rho)) -0.1237110E+00 Diamond 0.8243618E+00 Metallicity 0.4456630E+01 Ellipticity 0.4017936E-01 Gb(Abramov) 0.1743631E+00 Vb(Abramov) -0.2250151E+00 Hb(Abramov) -0.5065204E-01 Ex_ueg -0.4704800E-01 Ec_ueg -0.6975332E-02 Delta_ex -0.5107571E-01 Delta_ec 0.1318619E-01 Delta_et -0.1712757E+00 Pxc 0.6744912E+01 Qxc -0.3873423E+01 3,-1 100 3 +1 1.444446 -1.413255 2.898297 Rho 0.1190469E-01 |GRAD(Rho)| 0.2962182E-14 GRAD(Rho)x -0.1457675E-14 GRAD(Rho)y 0.1088739E-14 GRAD(Rho)z -0.2337596E-14 Laplacian 0.5229131E-01 (-1/4)Del**2(Rho)) -0.1307283E-01 Diamond 0.1591607E-02 Metallicity 0.8179256E+00 Ellipticity -0.1140535E+01 Gb(Abramov) 0.1049732E-01 Vb(Abramov) -0.7921809E-02 Hb(Abramov) 0.2575509E-02 Ex_ueg -0.2007594E-02 Ec_ueg -0.4551709E-03 Delta_ex -0.2424487E-02 Delta_ec 0.4279580E-03 Delta_et -0.3396251E-02 Pxc 0.4410637E+01 Qxc -0.5665246E+01 3,+1 101 3 -1 -0.186193 2.371423 -2.437652 Rho 0.1139946E+00 |GRAD(Rho)| 0.3950315E-15 GRAD(Rho)x -0.1168160E-15 GRAD(Rho)y 0.2504371E-15 GRAD(Rho)z 0.2822856E-15 Laplacian 0.4878981E+00 (-1/4)Del**2(Rho)) -0.1219745E+00 Diamond 0.7360030E+00 Metallicity 0.3785223E+01 Ellipticity 0.1919903E-01 Gb(Abramov) 0.1582665E+00 Vb(Abramov) -0.1945584E+00 Hb(Abramov) -0.3629195E-01 Ex_ueg -0.4082232E-01 Ec_ueg -0.6180331E-02 Delta_ex -0.4939819E-01 Delta_ec 0.1386257E-01 Delta_et -0.1775343E+00 Pxc 0.6605200E+01 Qxc -0.3563421E+01 3,-1 102 3 -1 -0.192866 2.318751 -0.866734 Rho 0.4280468E-01 |GRAD(Rho)| 0.6197617E-13 GRAD(Rho)x -0.5826519E-13 GRAD(Rho)y -0.4552113E-14 GRAD(Rho)z -0.2062743E-13 Laplacian 0.1741491E+00 (-1/4)Del**2(Rho)) -0.4353727E-01 Diamond 0.7584423E-01 Metallicity 0.2072577E+01 Ellipticity 0.1955166E-01 Gb(Abramov) 0.4406391E-01 Vb(Abramov) -0.4459054E-01 Hb(Abramov) -0.5266366E-03 Ex_ueg -0.1105877E-01 Ec_ueg -0.2021184E-02 Delta_ex -0.1401961E-01 Delta_ec 0.5608773E-02 Delta_et -0.5683177E-01 Pxc 0.5471430E+01 Qxc -0.2499585E+01 3,-1 103 3 -1 -0.232687 2.348955 2.350132 Rho 0.1289915E+00 |GRAD(Rho)| 0.1733649E-12 GRAD(Rho)x -0.1647499E-12 GRAD(Rho)y 0.3658057E-14 GRAD(Rho)z -0.5384681E-13 Laplacian 0.5296207E+00 (-1/4)Del**2(Rho)) -0.1324052E+00 Diamond 0.8992862E+00 Metallicity 0.4284664E+01 Ellipticity 0.1011685E-01 Gb(Abramov) 0.1828221E+00 Vb(Abramov) -0.2332390E+00 Hb(Abramov) -0.5041690E-01 Ex_ueg -0.4813563E-01 Ec_ueg -0.7112562E-02 Delta_ex -0.5487393E-01 Delta_ec 0.1402585E-01 Delta_et -0.1826482E+00 Pxc 0.6767692E+01 Qxc -0.3912342E+01 3,-1 104 3 +3 1.660664 -1.596625 -0.024744 Rho 0.3796666E-02 |GRAD(Rho)| 0.4056684E-17 GRAD(Rho)x -0.2773908E-17 GRAD(Rho)y -0.2685242E-17 GRAD(Rho)z -0.1245633E-17 Laplacian 0.1534419E-01 (-1/4)Del**2(Rho)) -0.3836048E-02 Diamond 0.1032727E-03 Metallicity 0.4149603E+00 Ellipticity -0.1127477E+00 Gb(Abramov) 0.2822666E-02 Vb(Abramov) -0.1809285E-02 Hb(Abramov) 0.1013381E-02 Ex_ueg -0.4374431E-03 Ec_ueg -0.9550175E-04 Delta_ex -0.5312985E-03 Delta_ec 0.1386944E-03 Delta_et -0.8355334E-03 Pxc 0.4580472E+01 Qxc -0.3830714E+01 3,+3 105 3 -1 0.147017 -1.092523 3.607043 Rho 0.1545872E+00 |GRAD(Rho)| 0.1534889E-13 GRAD(Rho)x 0.5302490E-15 GRAD(Rho)y 0.1513557E-13 GRAD(Rho)z 0.2494353E-14 Laplacian 0.6070818E+00 (-1/4)Del**2(Rho)) -0.1517705E+00 Diamond 0.1275287E+01 Metallicity 0.5054229E+01 Ellipticity 0.6805873E-01 Gb(Abramov) 0.2290274E+00 Vb(Abramov) -0.3062844E+00 Hb(Abramov) -0.7725697E-01 Ex_ueg -0.6127495E-01 Ec_ueg -0.8737802E-02 Delta_ex -0.6567762E-01 Delta_ec 0.1528281E-01 Delta_et -0.2042707E+00 Pxc 0.7012627E+01 Qxc -0.4297484E+01 3,-1 106 3 -1 0.076519 -0.416847 -0.669468 Rho 0.1601601E+00 |GRAD(Rho)| 0.5780446E-12 GRAD(Rho)x -0.2745928E-12 GRAD(Rho)y 0.2327114E-12 GRAD(Rho)z 0.4523049E-12 Laplacian 0.3752413E+00 (-1/4)Del**2(Rho)) -0.9381032E-01 Diamond 0.8432886E+00 Metallicity 0.8674144E+01 Ellipticity 0.2282865E-02 Gb(Abramov) 0.1981609E+00 Vb(Abramov) -0.3025115E+00 Hb(Abramov) -0.1043506E+00 Ex_ueg -0.6423784E-01 Ec_ueg -0.9097049E-02 Delta_ex -0.4114262E-01 Delta_ec 0.9701002E-02 Delta_et -0.1311236E+00 Pxc 0.7061393E+01 Qxc -0.4241069E+01 3,-1 107 3 -1 0.090582 -0.409840 0.662867 Rho 0.1611017E+00 |GRAD(Rho)| 0.2046238E-13 GRAD(Rho)x -0.1000762E-13 GRAD(Rho)y 0.7807990E-14 GRAD(Rho)z -0.1604966E-13 Laplacian 0.3808135E+00 (-1/4)Del**2(Rho)) -0.9520337E-01 Diamond 0.8600086E+00 Metallicity 0.8631132E+01 Ellipticity 0.5304117E-02 Gb(Abramov) 0.2004211E+00 Vb(Abramov) -0.3056387E+00 Hb(Abramov) -0.1052177E+00 Ex_ueg -0.6474187E-01 Ec_ueg -0.9157930E-02 Delta_ex -0.4179716E-01 Delta_ec 0.9800786E-02 Delta_et -0.1325044E+00 Pxc 0.7069488E+01 Qxc -0.4264674E+01 3,-1 108 3 +1 1.449630 1.697137 1.985006 Rho 0.5699914E-02 |GRAD(Rho)| 0.7658493E-15 GRAD(Rho)x -0.3477506E-16 GRAD(Rho)y 0.6688157E-15 GRAD(Rho)z -0.3714853E-15 Laplacian 0.2350294E-01 (-1/4)Del**2(Rho)) -0.5875734E-02 Diamond 0.6303940E-03 Metallicity 0.5332591E+00 Ellipticity -0.2821510E+01 Gb(Abramov) 0.4439371E-02 Vb(Abramov) -0.3003008E-02 Hb(Abramov) 0.1436363E-02 Ex_ueg -0.7519856E-03 Ec_ueg -0.1771562E-03 Delta_ex -0.1180590E-02 Delta_ec 0.7076570E-03 Delta_et -0.4010075E-02 Pxc 0.4244760E+01 Qxc -0.1668309E+01 3,+1 109 3 -1 0.340421 -0.405866 2.474093 Rho 0.4581467E-01 |GRAD(Rho)| 0.2984787E-15 GRAD(Rho)x -0.4518074E-16 GRAD(Rho)y 0.6648499E-16 GRAD(Rho)z 0.2874508E-15 Laplacian 0.1746565E+00 (-1/4)Del**2(Rho)) -0.4366413E-01 Diamond 0.7691829E-01 Metallicity 0.2314387E+01 Ellipticity 0.2288751E-01 Gb(Abramov) 0.4595203E-01 Vb(Abramov) -0.4823994E-01 Hb(Abramov) -0.2287903E-02 Ex_ueg -0.1210759E-01 Ec_ueg -0.2184864E-02 Delta_ex -0.1398214E-01 Delta_ec 0.5060526E-02 Delta_et -0.5211863E-01 Pxc 0.5541576E+01 Qxc -0.2762981E+01 3,-1 110 3 +1 0.803227 2.505195 0.613946 Rho 0.2554417E-01 |GRAD(Rho)| 0.5248053E-16 GRAD(Rho)x 0.9090501E-17 GRAD(Rho)y 0.5145394E-16 GRAD(Rho)z -0.4905266E-17 Laplacian 0.1009991E+00 (-1/4)Del**2(Rho)) -0.2524978E-01 Diamond 0.1471597E-01 Metallicity 0.1511641E+01 Ellipticity -0.7085802E+01 Gb(Abramov) 0.2319462E-01 Vb(Abramov) -0.2113946E-01 Hb(Abramov) 0.2055159E-02 Ex_ueg -0.5556153E-02 Ec_ueg -0.1116151E-02 Delta_ex -0.6434882E-02 Delta_ec 0.1922819E-02 Delta_et -0.1701732E-01 Pxc 0.4977957E+01 Qxc -0.3346587E+01 3,+1 111 3 -1 0.517235 3.323031 -1.545856 Rho 0.1205601E+00 |GRAD(Rho)| 0.7320898E-16 GRAD(Rho)x 0.2629190E-17 GRAD(Rho)y -0.6910095E-16 GRAD(Rho)z -0.2403541E-16 Laplacian 0.5017234E+00 (-1/4)Del**2(Rho)) -0.1254309E+00 Diamond 0.8043269E+00 Metallicity 0.4040994E+01 Ellipticity 0.2365653E-01 Gb(Abramov) 0.1680981E+00 Vb(Abramov) -0.2107654E+00 Hb(Abramov) -0.4266728E-01 Ex_ueg -0.4398689E-01 Ec_ueg -0.6586534E-02 Delta_ex -0.5140087E-01 Delta_ec 0.1394986E-01 Delta_et -0.1803265E+00 Pxc 0.6678307E+01 Qxc -0.3684687E+01 3,-1 112 3 -1 0.717031 -3.916034 -2.238643 Rho 0.2210515E+00 |GRAD(Rho)| 0.2499654E-13 GRAD(Rho)x 0.2370540E-13 GRAD(Rho)y -0.4775694E-14 GRAD(Rho)z -0.6330358E-14 Laplacian 0.8252452E+00 (-1/4)Del**2(Rho)) -0.2063113E+00 Diamond 0.2645213E+01 Metallicity 0.6748166E+01 Ellipticity 0.1933905E-01 Gb(Abramov) 0.3695780E+00 Vb(Abramov) -0.5328448E+00 Hb(Abramov) -0.1632667E+00 Ex_ueg -0.9871342E-01 Ec_ueg -0.1313910E-01 Delta_ex -0.9760658E-01 Delta_ec 0.1868822E-01 Delta_et -0.2579771E+00 Pxc 0.7512953E+01 Qxc -0.5222893E+01 3,-1 113 3 -1 0.609925 -3.902489 2.228601 Rho 0.2196305E+00 |GRAD(Rho)| 0.2582119E-13 GRAD(Rho)x 0.2382683E-13 GRAD(Rho)y -0.7079732E-14 GRAD(Rho)z 0.6992372E-14 Laplacian 0.8224664E+00 (-1/4)Del**2(Rho)) -0.2056166E+00 Diamond 0.2615111E+01 Metallicity 0.6698581E+01 Ellipticity 0.2262402E-01 Gb(Abramov) 0.3666343E+00 Vb(Abramov) -0.5276520E+00 Hb(Abramov) -0.1610177E+00 Ex_ueg -0.9786828E-01 Ec_ueg -0.1304241E-01 Delta_ex -0.9711090E-01 Delta_ec 0.1865075E-01 Delta_et -0.2573313E+00 Pxc 0.7503852E+01 Qxc -0.5206811E+01 3,-1 114 3 -1 0.483159 -1.873742 -1.614232 Rho 0.5341374E-01 |GRAD(Rho)| 0.4262240E-16 GRAD(Rho)x -0.3185757E-17 GRAD(Rho)y -0.4082529E-16 GRAD(Rho)z -0.1182437E-16 Laplacian 0.2028261E+00 (-1/4)Del**2(Rho)) -0.5070653E-01 Diamond 0.1116452E+00 Metallicity 0.2573816E+01 Ellipticity 0.1645504E-01 Gb(Abramov) 0.5555590E-01 Vb(Abramov) -0.6040528E-01 Hb(Abramov) -0.4849373E-02 Ex_ueg -0.1485670E-01 Ec_ueg -0.2604424E-02 Delta_ex -0.1694293E-01 Delta_ec 0.5981800E-02 Delta_et -0.6414806E-01 Pxc 0.5704410E+01 Qxc -0.2832413E+01 3,-1 115 3 -1 0.701630 -3.158893 -0.888899 Rho 0.1312408E+00 |GRAD(Rho)| 0.9277571E-13 GRAD(Rho)x 0.9022933E-13 GRAD(Rho)y -0.7112558E-14 GRAD(Rho)z 0.2038166E-13 Laplacian 0.5425857E+00 (-1/4)Del**2(Rho)) -0.1356464E+00 Diamond 0.9409544E+00 Metallicity 0.4304535E+01 Ellipticity 0.2892409E-02 Gb(Abramov) 0.1877467E+00 Vb(Abramov) -0.2398471E+00 Hb(Abramov) -0.5210033E-01 Ex_ueg -0.4925801E-01 Ec_ueg -0.7253700E-02 Delta_ex -0.5645549E-01 Delta_ec 0.1431687E-01 Delta_et -0.1869782E+00 Pxc 0.6790742E+01 Qxc -0.3943285E+01 3,-1 116 3 -1 0.693206 -3.148621 0.868916 Rho 0.1419067E+00 |GRAD(Rho)| 0.3621874E-13 GRAD(Rho)x 0.2544404E-13 GRAD(Rho)y -0.1112683E-13 GRAD(Rho)z 0.2325063E-13 Laplacian 0.5808483E+00 (-1/4)Del**2(Rho)) -0.1452121E+00 Diamond 0.1106278E+01 Metallicity 0.4580243E+01 Ellipticity 0.9187418E-02 Gb(Abramov) 0.2076591E+00 Vb(Abramov) -0.2701062E+00 Hb(Abramov) -0.6244706E-01 Ex_ueg -0.5466661E-01 Ec_ueg -0.7927454E-02 Delta_ex -0.6159024E-01 Delta_ec 0.1503710E-01 Delta_et -0.1987889E+00 Pxc 0.6895859E+01 Qxc -0.4095887E+01 3,-1 117 3 -1 1.080446 -0.105272 -3.532199 Rho 0.9762203E-01 |GRAD(Rho)| 0.3598776E-10 GRAD(Rho)x 0.3578413E-10 GRAD(Rho)y -0.1155663E-12 GRAD(Rho)z 0.3821215E-11 Laplacian 0.3916573E+00 (-1/4)Del**2(Rho)) -0.9791432E-01 Diamond 0.4703761E+00 Metallicity 0.3641554E+01 Ellipticity 0.9266559E-02 Gb(Abramov) 0.1247029E+00 Vb(Abramov) -0.1514915E+00 Hb(Abramov) -0.2678860E-01 Ex_ueg -0.3319827E-01 Ec_ueg -0.5181230E-02 Delta_ex -0.3790574E-01 Delta_ec 0.1089112E-01 Delta_et -0.1345368E+00 Pxc 0.6407412E+01 Qxc -0.3480425E+01 3,-1 118 3 -1 1.163658 -0.065849 3.580202 Rho 0.1590592E+00 |GRAD(Rho)| 0.2218895E-11 GRAD(Rho)x 0.2211419E-11 GRAD(Rho)y 0.2003459E-13 GRAD(Rho)z -0.1808911E-12 Laplacian 0.6357114E+00 (-1/4)Del**2(Rho)) -0.1589278E+00 Diamond 0.1374202E+01 Metallicity 0.5061562E+01 Ellipticity 0.3865830E-01 Gb(Abramov) 0.2400224E+00 Vb(Abramov) -0.3211170E+00 Hb(Abramov) -0.8109457E-01 Ex_ueg -0.6364977E-01 Ec_ueg -0.9025933E-02 Delta_ex -0.6919016E-01 Delta_ec 0.1576143E-01 Delta_et -0.2111375E+00 Pxc 0.7051876E+01 Qxc -0.4389841E+01 3,-1 119 3 -1 0.063849 0.065851 4.598641 Rho 0.2272937E+00 |GRAD(Rho)| 0.6011997E-15 GRAD(Rho)x -0.1371516E-16 GRAD(Rho)y 0.3543986E-16 GRAD(Rho)z -0.5999975E-15 Laplacian 0.8411304E+00 (-1/4)Del**2(Rho)) -0.2102826E+00 Diamond 0.2787016E+01 Metallicity 0.6935249E+01 Ellipticity 0.4476088E-02 Gb(Abramov) 0.3832488E+00 Vb(Abramov) -0.5562149E+00 Hb(Abramov) -0.1729662E+00 Ex_ueg -0.1024475E+00 Ec_ueg -0.1356519E-01 Delta_ex -0.1002003E+00 Delta_ec 0.1888637E-01 Delta_et -0.2610511E+00 Pxc 0.7552240E+01 Qxc -0.5305429E+01 3,-1 120 3 +1 1.501880 -1.463435 -2.905748 Rho 0.1201748E-01 |GRAD(Rho)| 0.2178792E-16 GRAD(Rho)x 0.2807207E-17 GRAD(Rho)y -0.1751551E-16 GRAD(Rho)z 0.1265069E-16 Laplacian 0.5618961E-01 (-1/4)Del**2(Rho)) -0.1404740E-01 Diamond 0.1908603E-02 Metallicity 0.7732369E+00 Ellipticity -0.1176591E+01 Gb(Abramov) 0.1117526E-01 Vb(Abramov) -0.8303124E-02 Hb(Abramov) 0.2872139E-02 Ex_ueg -0.2032994E-02 Ec_ueg -0.4603758E-03 Delta_ex -0.2662825E-02 Delta_ec 0.5504380E-03 Delta_et -0.4266212E-02 Pxc 0.4415944E+01 Qxc -0.4837648E+01 3,+1 121 3 +3 1.084793 1.085726 -1.611877 Rho 0.3966403E-02 |GRAD(Rho)| 0.4682787E-17 GRAD(Rho)x -0.8700886E-18 GRAD(Rho)y -0.4453779E-18 GRAD(Rho)z 0.4579637E-17 Laplacian 0.1603496E-01 (-1/4)Del**2(Rho)) -0.4008740E-02 Diamond 0.1047821E-03 Metallicity 0.4271103E+00 Ellipticity -0.2172015E+00 Gb(Abramov) 0.2957856E-02 Vb(Abramov) -0.1906971E-02 Hb(Abramov) 0.1050884E-02 Ex_ueg -0.4637111E-03 Ec_ueg -0.1027077E-03 Delta_ex -0.5490813E-03 Delta_ec 0.1229788E-03 Delta_et -0.7802720E-03 Pxc 0.4514861E+01 Qxc -0.4464846E+01 3,+3 122 3 +1 1.541960 1.279593 2.240337 Rho 0.5676220E-02 |GRAD(Rho)| 0.9423900E-17 GRAD(Rho)x -0.4172872E-17 GRAD(Rho)y -0.9972088E-19 GRAD(Rho)z 0.8449088E-17 Laplacian 0.2322424E-01 (-1/4)Del**2(Rho)) -0.5806059E-02 Diamond 0.6018393E-03 Metallicity 0.5359246E+00 Ellipticity -0.2523722E+01 Gb(Abramov) 0.4389308E-02 Vb(Abramov) -0.2972556E-02 Hb(Abramov) 0.1416751E-02 Ex_ueg -0.7478204E-03 Ec_ueg -0.1761284E-03 Delta_ex -0.1151823E-02 Delta_ec 0.6746319E-03 Delta_et -0.3828437E-02 Pxc 0.4245883E+01 Qxc -0.1707336E+01 3,+1 123 3 -1 1.536555 -2.685094 -1.999765 Rho 0.8451348E-01 |GRAD(Rho)| 0.5726966E-16 GRAD(Rho)x -0.1833318E-16 GRAD(Rho)y -0.5270239E-16 GRAD(Rho)z 0.1289057E-16 Laplacian 0.3398694E+00 (-1/4)Del**2(Rho)) -0.8496736E-01 Diamond 0.3403194E+00 Metallicity 0.3299978E+01 Ellipticity 0.1878202E-01 Gb(Abramov) 0.1033766E+00 Vb(Abramov) -0.1217859E+00 Hb(Abramov) -0.1840928E-01 Ex_ueg -0.2739175E-01 Ec_ueg -0.4396912E-02 Delta_ex -0.3176388E-01 Delta_ec 0.9649947E-02 Delta_et -0.1155806E+00 Pxc 0.6229769E+01 Qxc -0.3291612E+01 3,-1 124 3 -1 1.478976 -2.701367 2.025869 Rho 0.1058030E+00 |GRAD(Rho)| 0.9491015E-16 GRAD(Rho)x -0.8626184E-16 GRAD(Rho)y -0.3934976E-16 GRAD(Rho)z 0.4292763E-17 Laplacian 0.4276205E+00 (-1/4)Del**2(Rho)) -0.1069051E+00 Diamond 0.5610166E+00 Metallicity 0.3814034E+01 Ellipticity 0.1493693E-01 Gb(Abramov) 0.1392267E+00 Vb(Abramov) -0.1715483E+00 Hb(Abramov) -0.3232158E-01 Ex_ueg -0.3695861E-01 Ec_ueg -0.5677898E-02 Delta_ex -0.4209486E-01 Delta_ec 0.1154164E-01 Delta_et -0.1446421E+00 Pxc 0.6509207E+01 Qxc -0.3647218E+01 3,-1 125 3 +1 1.679495 -1.315257 1.730256 Rho 0.2424389E-01 |GRAD(Rho)| 0.2430322E-16 GRAD(Rho)x 0.5958731E-17 GRAD(Rho)y -0.2203559E-16 GRAD(Rho)z 0.8341041E-17 Laplacian 0.8958216E-01 (-1/4)Del**2(Rho)) -0.2239554E-01 Diamond 0.1001960E-01 Metallicity 0.1562172E+01 Ellipticity -0.2682963E+01 Gb(Abramov) 0.2076131E-01 Vb(Abramov) -0.1912708E-01 Hb(Abramov) 0.1634233E-02 Ex_ueg -0.5182287E-02 Ec_ueg -0.1050721E-02 Delta_ex -0.5388947E-02 Delta_ec 0.1275346E-02 Delta_et -0.1123526E-01 Pxc 0.4932125E+01 Qxc -0.4225479E+01 3,+1 126 3 +3 1.123843 1.068850 1.572265 Rho 0.4240740E-02 |GRAD(Rho)| 0.7478587E-17 GRAD(Rho)x -0.5276283E-17 GRAD(Rho)y -0.2025359E-17 GRAD(Rho)z 0.4897756E-17 Laplacian 0.1724136E-01 (-1/4)Del**2(Rho)) -0.4310339E-02 Diamond 0.1189710E-03 Metallicity 0.4440629E+00 Ellipticity -0.2360318E+00 Gb(Abramov) 0.3192570E-02 Vb(Abramov) -0.2074800E-02 Hb(Abramov) 0.1117769E-02 Ex_ueg -0.5069603E-03 Ec_ueg -0.1143865E-03 Delta_ex -0.5956288E-03 Delta_ec 0.1231386E-03 Delta_et -0.8086557E-03 Pxc 0.4431993E+01 Qxc -0.4837061E+01 3,+3 127 3 +3 1.365551 -1.351563 -2.678798 Rho 0.1174383E-01 |GRAD(Rho)| 0.1450826E-16 GRAD(Rho)x 0.1221339E-16 GRAD(Rho)y -0.8461572E-20 GRAD(Rho)z 0.7830868E-17 Laplacian 0.5404564E-01 (-1/4)Del**2(Rho)) -0.1351141E-01 Diamond 0.1189266E-02 Metallicity 0.7736343E+00 Ellipticity -0.6625962E+00 Gb(Abramov) 0.1074976E-01 Vb(Abramov) -0.7988100E-02 Hb(Abramov) 0.2761655E-02 Ex_ueg -0.1971507E-02 Ec_ueg -0.4477565E-03 Delta_ex -0.2369915E-02 Delta_ec 0.2165927E-03 Delta_et -0.1992403E-02 Pxc 0.4403079E+01 Qxc -0.1094181E+02 3,+3 128 3 +1 1.552710 -0.465521 2.246435 Rho 0.2137099E-01 |GRAD(Rho)| 0.1284166E-15 GRAD(Rho)x 0.1256258E-15 GRAD(Rho)y -0.1941436E-16 GRAD(Rho)z -0.1822265E-16 Laplacian 0.7697333E-01 (-1/4)Del**2(Rho)) -0.1924333E-01 Diamond 0.6696753E-02 Metallicity 0.1473378E+01 Ellipticity -0.2140639E+01 Gb(Abramov) 0.1755434E-01 Vb(Abramov) -0.1586534E-01 Hb(Abramov) 0.1688994E-02 Ex_ueg -0.4380107E-02 Ec_ueg -0.9077949E-03 Delta_ex -0.4402275E-02 Delta_ec 0.9675737E-03 Delta_et -0.8328777E-02 Pxc 0.4824996E+01 Qxc -0.4549809E+01 3,+1 129 3 +3 1.362347 -1.335034 2.730087 Rho 0.1180996E-01 |GRAD(Rho)| 0.3081480E-13 GRAD(Rho)x 0.1283800E-13 GRAD(Rho)y 0.2513290E-13 GRAD(Rho)z 0.1237234E-13 Laplacian 0.5108661E-01 (-1/4)Del**2(Rho)) -0.1277165E-01 Diamond 0.1135778E-02 Metallicity 0.8261398E+00 Ellipticity -0.7724714E+00 Gb(Abramov) 0.1027296E-01 Vb(Abramov) -0.7774275E-02 Hb(Abramov) 0.2498689E-02 Ex_ueg -0.1986322E-02 Ec_ueg -0.4508033E-03 Delta_ex -0.2244669E-02 Delta_ec 0.2061853E-03 Delta_et -0.1894104E-02 Pxc 0.4406184E+01 Qxc -0.1088666E+02 3,+3 130 3 +1 1.446245 1.607871 -2.061443 Rho 0.5208868E-02 |GRAD(Rho)| 0.1048061E-14 GRAD(Rho)x 0.3854828E-15 GRAD(Rho)y -0.7614732E-15 GRAD(Rho)z -0.6082707E-15 Laplacian 0.2090367E-01 (-1/4)Del**2(Rho)) -0.5225918E-02 Diamond 0.5314859E-03 Metallicity 0.5159759E+00 Ellipticity -0.4547763E+01 Gb(Abramov) 0.3933353E-02 Vb(Abramov) -0.2640789E-02 Hb(Abramov) 0.1292565E-02 Ex_ueg -0.6668725E-03 Ec_ueg -0.1559123E-03 Delta_ex -0.1062026E-02 Delta_ec 0.6840450E-03 Delta_et -0.3750474E-02 Pxc 0.4277229E+01 Qxc -0.1552568E+01 3,+1 131 3 -1 1.261152 2.072320 0.018095 Rho 0.3519883E-01 |GRAD(Rho)| 0.4339606E-17 GRAD(Rho)x -0.1607457E-17 GRAD(Rho)y 0.4028700E-17 GRAD(Rho)z -0.1335615E-18 Laplacian 0.1314975E+00 (-1/4)Del**2(Rho)) -0.3287438E-01 Diamond 0.3956055E-01 Metallicity 0.1981113E+01 Ellipticity 0.3236320E-01 Gb(Abramov) 0.3277089E-01 Vb(Abramov) -0.3266741E-01 Hb(Abramov) 0.1034824E-03 Ex_ueg -0.8519667E-02 Ec_ueg -0.1614756E-02 Delta_ex -0.9795609E-02 Delta_ec 0.3705971E-02 Delta_et -0.3556562E-01 Pxc 0.5276131E+01 Qxc -0.2643196E+01 3,-1 132 3 -1 1.776115 -0.685698 1.589398 Rho 0.3144672E-01 |GRAD(Rho)| 0.1097585E-16 GRAD(Rho)x 0.7365163E-17 GRAD(Rho)y -0.2918478E-17 GRAD(Rho)z -0.7596456E-17 Laplacian 0.1261254E+00 (-1/4)Del**2(Rho)) -0.3153134E-01 Diamond 0.3565308E-01 Metallicity 0.1711735E+01 Ellipticity 0.6935316E-01 Gb(Abramov) 0.3001644E-01 Vb(Abramov) -0.2850154E-01 Hb(Abramov) 0.1514899E-02 Ex_ueg -0.7330815E-02 Ec_ueg -0.1418470E-02 Delta_ex -0.9385497E-02 Delta_ec 0.4000254E-02 Delta_et -0.3721811E-01 Pxc 0.5168116E+01 Qxc -0.2346225E+01 3,-1 133 3 -1 2.682014 1.904714 0.714035 Rho 0.1601750E+00 |GRAD(Rho)| 0.6554575E-15 GRAD(Rho)x 0.6754580E-16 GRAD(Rho)y 0.5992656E-15 GRAD(Rho)z -0.2567933E-15 Laplacian 0.6626298E+00 (-1/4)Del**2(Rho)) -0.1656575E+00 Diamond 0.1447627E+01 Metallicity 0.4912848E+01 Ellipticity 0.1456216E-01 Gb(Abramov) 0.2460800E+00 Vb(Abramov) -0.3265025E+00 Hb(Abramov) -0.8042250E-01 Ex_ueg -0.6424579E-01 Ec_ueg -0.9098009E-02 Delta_ex -0.7227404E-01 Delta_ec 0.1645117E-01 Delta_et -0.2207029E+00 Pxc 0.7061521E+01 Qxc -0.4393246E+01 3,-1 134 3 -1 2.702898 -1.591737 2.029408 Rho 0.1445262E+00 |GRAD(Rho)| 0.3250593E-14 GRAD(Rho)x -0.2798217E-14 GRAD(Rho)y 0.1362029E-14 GRAD(Rho)z -0.9387293E-15 Laplacian 0.5782873E+00 (-1/4)Del**2(Rho)) -0.1445718E+00 Diamond 0.1142842E+01 Metallicity 0.4742934E+01 Ellipticity 0.2586133E-01 Gb(Abramov) 0.2106636E+00 Vb(Abramov) -0.2767555E+00 Hb(Abramov) -0.6609182E-01 Ex_ueg -0.5601621E-01 Ec_ueg -0.8094036E-02 Delta_ex -0.6177060E-01 Delta_ec 0.1522124E-01 Delta_et -0.2024589E+00 Pxc 0.6920677E+01 Qxc -0.4058185E+01 3,-1 135 3 -1 2.744005 -1.548161 -2.011534 Rho 0.1742092E+00 |GRAD(Rho)| 0.3923228E-13 GRAD(Rho)x 0.1948280E-13 GRAD(Rho)y -0.2529894E-13 GRAD(Rho)z 0.2279377E-13 Laplacian 0.6688126E+00 (-1/4)Del**2(Rho)) -0.1672032E+00 Diamond 0.1624638E+01 Metallicity 0.5598783E+01 Ellipticity 0.3522639E-01 Gb(Abramov) 0.2674911E+00 Vb(Abramov) -0.3677791E+00 Hb(Abramov) -0.1002880E+00 Ex_ueg -0.7185876E-01 Ec_ueg -0.1001086E-01 Delta_ex -0.7456231E-01 Delta_ec 0.1637232E-01 Delta_et -0.2221881E+00 Pxc 0.7178078E+01 Qxc -0.4554169E+01 3,-1 136 3 +1 3.033981 0.519401 0.018027 Rho 0.1203828E-01 |GRAD(Rho)| 0.3081088E-16 GRAD(Rho)x -0.4124418E-17 GRAD(Rho)y 0.2637761E-16 GRAD(Rho)z -0.1537924E-16 Laplacian 0.5848177E-01 (-1/4)Del**2(Rho)) -0.1462044E-01 Diamond 0.2279577E-02 Metallicity 0.7450753E+00 Ellipticity -0.1251468E+01 Gb(Abramov) 0.1156252E-01 Vb(Abramov) -0.8504591E-02 Hb(Abramov) 0.3057925E-02 Ex_ueg -0.2037688E-02 Ec_ueg -0.4613365E-03 Delta_ex -0.2855743E-02 Delta_ec 0.7210464E-03 Delta_et -0.5440047E-02 Pxc 0.4416924E+01 Qxc -0.3960555E+01 3,+1 137 3 -1 2.663306 1.882071 -0.668593 Rho 0.1410947E+00 |GRAD(Rho)| 0.2261441E-15 GRAD(Rho)x -0.5963112E-18 GRAD(Rho)y 0.1011561E-15 GRAD(Rho)z -0.2022579E-15 Laplacian 0.5868551E+00 (-1/4)Del**2(Rho)) -0.1467138E+00 Diamond 0.1103919E+01 Metallicity 0.4490212E+01 Ellipticity 0.1263304E-01 Gb(Abramov) 0.2076052E+00 Vb(Abramov) -0.2684966E+00 Hb(Abramov) -0.6089141E-01 Ex_ueg -0.5424996E-01 Ec_ueg -0.7875908E-02 Delta_ex -0.6207410E-01 Delta_ec 0.1509571E-01 Delta_et -0.1991441E+00 Pxc 0.6888090E+01 Qxc -0.4112037E+01 3,-1 138 3 -1 2.944394 0.382670 -1.578715 Rho 0.1293905E+00 |GRAD(Rho)| 0.4389669E-12 GRAD(Rho)x -0.6360425E-13 GRAD(Rho)y 0.4073219E-12 GRAD(Rho)z 0.1507823E-12 Laplacian 0.5382847E+00 (-1/4)Del**2(Rho)) -0.1345712E+00 Diamond 0.9128390E+00 Metallicity 0.4237456E+01 Ellipticity 0.1232587E-01 Gb(Abramov) 0.1847540E+00 Vb(Abramov) -0.2349369E+00 Hb(Abramov) -0.5018286E-01 Ex_ueg -0.4833425E-01 Ec_ueg -0.7137574E-02 Delta_ex -0.5575778E-01 Delta_ec 0.1414614E-01 Delta_et -0.1841267E+00 Pxc 0.6771804E+01 Qxc -0.3941555E+01 3,-1 139 3 -1 2.974822 0.387312 1.571191 Rho 0.1100209E+00 |GRAD(Rho)| 0.1191019E-13 GRAD(Rho)x -0.9956178E-14 GRAD(Rho)y 0.4289361E-14 GRAD(Rho)z -0.4932405E-14 Laplacian 0.4780925E+00 (-1/4)Del**2(Rho)) -0.1195231E+00 Diamond 0.6923801E+00 Metallicity 0.3641050E+01 Ellipticity 0.2198916E-01 Gb(Abramov) 0.1522137E+00 Vb(Abramov) -0.1849043E+00 Hb(Abramov) -0.3269058E-01 Ex_ueg -0.3893607E-01 Ec_ueg -0.5935982E-02 Delta_ex -0.4802574E-01 Delta_ec 0.1372793E-01 Delta_et -0.1746643E+00 Pxc 0.6559330E+01 Qxc -0.3498396E+01 3,-1 140 3 -1 2.519404 -0.330717 2.740766 Rho 0.1080657E+00 |GRAD(Rho)| 0.1764149E-15 GRAD(Rho)x -0.7785927E-16 GRAD(Rho)y 0.1776397E-16 GRAD(Rho)z 0.1573042E-15 Laplacian 0.4517472E+00 (-1/4)Del**2(Rho)) -0.1129368E+00 Diamond 0.6398040E+00 Metallicity 0.3739934E+01 Ellipticity 0.3321216E-02 Gb(Abramov) 0.1456872E+00 Vb(Abramov) -0.1784377E+00 Hb(Abramov) -0.3275043E-01 Ex_ueg -0.3801620E-01 Ec_ueg -0.5816179E-02 Delta_ex -0.4518351E-01 Delta_ec 0.1301089E-01 Delta_et -0.1649444E+00 Pxc 0.6536284E+01 Qxc -0.3472746E+01 3,-1 141 3 -1 3.229633 3.149472 0.022633 Rho 0.2262126E+00 |GRAD(Rho)| 0.2325455E-10 GRAD(Rho)x -0.1914116E-10 GRAD(Rho)y -0.1320423E-10 GRAD(Rho)z 0.1965468E-12 Laplacian 0.8225554E+00 (-1/4)Del**2(Rho)) -0.2056388E+00 Diamond 0.2720502E+01 Metallicity 0.7035731E+01 Ellipticity 0.1875442E-02 Gb(Abramov) 0.3782292E+00 Vb(Abramov) -0.5508195E+00 Hb(Abramov) -0.1725903E+00 Ex_ueg -0.1017983E+00 Ec_ueg -0.1349124E-01 Delta_ex -0.9792756E-01 Delta_ec 0.1860396E-01 Delta_et -0.2575344E+00 Pxc 0.7545516E+01 Qxc -0.5263801E+01 3,-1 142 3 -1 3.933885 -0.609024 -2.269119 Rho 0.2257404E+00 |GRAD(Rho)| 0.7448451E-11 GRAD(Rho)x 0.6939025E-11 GRAD(Rho)y -0.5522760E-13 GRAD(Rho)z -0.2706716E-11 Laplacian 0.8166035E+00 (-1/4)Del**2(Rho)) -0.2041509E+00 Diamond 0.2697202E+01 Metallicity 0.7062374E+01 Ellipticity 0.1358243E-03 Gb(Abramov) 0.3763989E+00 Vb(Abramov) -0.5486469E+00 Hb(Abramov) -0.1722480E+00 Ex_ueg -0.1015151E+00 Ec_ueg -0.1345896E-01 Delta_ex -0.9718464E-01 Delta_ec 0.1851309E-01 Delta_et -0.2563808E+00 Pxc 0.7542569E+01 Qxc -0.5249510E+01 3,-1 143 3 -1 3.965936 -0.679307 2.225761 Rho 0.2028840E+00 |GRAD(Rho)| 0.1694366E-14 GRAD(Rho)x 0.8167295E-15 GRAD(Rho)y -0.4149885E-15 GRAD(Rho)z -0.1425346E-14 Laplacian 0.7589231E+00 (-1/4)Del**2(Rho)) -0.1897308E+00 Diamond 0.2203846E+01 Metallicity 0.6360558E+01 Ellipticity 0.3196768E-02 Gb(Abramov) 0.3276194E+00 Vb(Abramov) -0.4655081E+00 Hb(Abramov) -0.1378887E+00 Ex_ueg -0.8804720E-01 Ec_ueg -0.1191125E-01 Delta_ex -0.8786669E-01 Delta_ec 0.1771865E-01 Delta_et -0.2436162E+00 Pxc 0.7391937E+01 Qxc -0.4958994E+01 3,-1 144 3 -1 -2.218669 1.489392 -2.094373 Rho 0.3223546E+00 |GRAD(Rho)| 0.9504200E-15 GRAD(Rho)x -0.7857791E-15 GRAD(Rho)y -0.5340517E-15 GRAD(Rho)z -0.2526170E-16 Laplacian -0.1606259E+01 (-1/4)Del**2(Rho)) 0.4015646E+00 Diamond 0.5671982E+01 Metallicity -0.6501607E+01 Ellipticity 0.2467746E-02 Gb(Abramov) 0.1674262E+00 Vb(Abramov) -0.7364170E+00 Hb(Abramov) -0.5689908E+00 Ex_ueg -0.1632413E+00 Ec_ueg -0.2031830E-01 Delta_ex 0.1603854E+00 Delta_ec 0.5609693E-01 Delta_et -0.1335433E+01 Pxc 0.8034201E+01 Qxc 0.2859077E+01 3,-1 145 3 +1 -1.858298 0.568963 1.393499 Rho 0.6481379E-02 |GRAD(Rho)| 0.4304071E-15 GRAD(Rho)x -0.5040472E-16 GRAD(Rho)y 0.2749541E-15 GRAD(Rho)z 0.3272765E-15 Laplacian 0.2319393E-01 (-1/4)Del**2(Rho)) -0.5798482E-02 Diamond 0.5135039E-03 Metallicity 0.6693982E+00 Ellipticity -0.1728864E+01 Gb(Abramov) 0.4512570E-02 Vb(Abramov) -0.3226658E-02 Hb(Abramov) 0.1285912E-02 Ex_ueg -0.8925000E-03 Ec_ueg -0.2112092E-03 Delta_ex -0.1047104E-02 Delta_ec 0.4331431E-03 Delta_et -0.2658088E-02 Pxc 0.4225668E+01 Qxc -0.2417456E+01 3,+1 146 3 -1 -0.012458 -0.000892 -4.597589 Rho 0.2217727E+00 |GRAD(Rho)| 0.2345831E-14 GRAD(Rho)x -0.1267401E-14 GRAD(Rho)y 0.2288819E-15 GRAD(Rho)z -0.1960671E-14 Laplacian 0.8227331E+00 (-1/4)Del**2(Rho)) -0.2056833E+00 Diamond 0.2649618E+01 Metallicity 0.6805618E+01 Ellipticity 0.1182827E-01 Gb(Abramov) 0.3704225E+00 Vb(Abramov) -0.5351617E+00 Hb(Abramov) -0.1647392E+00 Ex_ueg -0.9914309E-01 Ec_ueg -0.1318822E-01 Delta_ex -0.9740395E-01 Delta_ec 0.1863622E-01 Delta_et -0.2573942E+00 Pxc 0.7517550E+01 Qxc -0.5226592E+01 3,-1 147 3 -1 0.293192 -2.466670 2.765042 Rho 0.1103940E+00 |GRAD(Rho)| 0.1380640E-13 GRAD(Rho)x -0.1357408E-13 GRAD(Rho)y -0.1513844E-14 GRAD(Rho)z 0.2017212E-14 Laplacian 0.4194331E+00 (-1/4)Del**2(Rho)) -0.1048583E+00 Diamond 0.5934225E+00 Metallicity 0.4173748E+01 Ellipticity 0.2571564E-01 Gb(Abramov) 0.1428475E+00 Vb(Abramov) -0.1808368E+00 Hb(Abramov) -0.3798925E-01 Ex_ueg -0.3911221E-01 Ec_ueg -0.5958874E-02 Delta_ex -0.4191931E-01 Delta_ec 0.1159322E-01 Delta_et -0.1469964E+00 Pxc 0.6563691E+01 Qxc -0.3615848E+01 3,-1 148 3 -1 2.511068 -0.332944 -2.733000 Rho 0.1640015E+00 |GRAD(Rho)| 0.1679662E-13 GRAD(Rho)x 0.1669944E-13 GRAD(Rho)y -0.1633710E-14 GRAD(Rho)z 0.7656636E-15 Laplacian 0.6480830E+00 (-1/4)Del**2(Rho)) -0.1620207E+00 Diamond 0.1458072E+01 Metallicity 0.5224709E+01 Ellipticity 0.4100943E-01 Gb(Abramov) 0.2490990E+00 Vb(Abramov) -0.3361773E+00 Hb(Abramov) -0.8707830E-01 Ex_ueg -0.6630028E-01 Ec_ueg -0.9345753E-02 Delta_ex -0.7111678E-01 Delta_ec 0.1601726E-01 Delta_et -0.2155738E+00 Pxc 0.7094162E+01 Qxc -0.4440010E+01 3,-1 149 3 -1 1.890915 3.071724 -0.708413 Rho 0.1423841E+00 |GRAD(Rho)| 0.2547271E-15 GRAD(Rho)x 0.9893345E-16 GRAD(Rho)y 0.4065758E-19 GRAD(Rho)z 0.2347298E-15 Laplacian 0.5614487E+00 (-1/4)Del**2(Rho)) -0.1403622E+00 Diamond 0.1067748E+01 Metallicity 0.4765101E+01 Ellipticity 0.1409014E-01 Gb(Abramov) 0.2050481E+00 Vb(Abramov) -0.2697341E+00 Hb(Abramov) -0.6468595E-01 Ex_ueg -0.5491197E-01 Ec_ueg -0.7957783E-02 Delta_ex -0.5951891E-01 Delta_ec 0.1441040E-01 Delta_et -0.1903608E+00 Pxc 0.6900411E+01 Qxc -0.4130276E+01 3,-1 150 3 -1 1.855502 3.078048 0.707047 Rho 0.1597149E+00 |GRAD(Rho)| 0.2016689E-15 GRAD(Rho)x -0.5336985E-16 GRAD(Rho)y 0.1398485E-15 GRAD(Rho)z -0.1351458E-15 Laplacian 0.6194617E+00 (-1/4)Del**2(Rho)) -0.1548654E+00 Diamond 0.1356151E+01 Metallicity 0.5230073E+01 Ellipticity 0.3583795E-01 Gb(Abramov) 0.2382365E+00 Vb(Abramov) -0.3216076E+00 Hb(Abramov) -0.8337110E-01 Ex_ueg -0.6399985E-01 Ec_ueg -0.9068280E-02 Delta_ex -0.6758612E-01 Delta_ec 0.1551333E-01 Delta_et -0.2083569E+00 Pxc 0.7057551E+01 Qxc -0.4356647E+01 3,-1 151 3 -1 3.219587 -0.784231 -0.920887 Rho 0.1403424E+00 |GRAD(Rho)| 0.1677953E-12 GRAD(Rho)x -0.5530000E-13 GRAD(Rho)y -0.1201688E-12 GRAD(Rho)z -0.1032310E-12 Laplacian 0.5826943E+00 (-1/4)Del**2(Rho)) -0.1456736E+00 Diamond 0.1091247E+01 Metallicity 0.4482157E+01 Ellipticity 0.1734278E-01 Gb(Abramov) 0.2059377E+00 Vb(Abramov) -0.2662018E+00 Hb(Abramov) -0.6026411E-01 Ex_ueg -0.5386460E-01 Ec_ueg -0.7828182E-02 Delta_ex -0.6157736E-01 Delta_ec 0.1505047E-01 Delta_et -0.1984771E+00 Pxc 0.6880857E+01 Qxc -0.4091391E+01 3,-1 152 3 -1 3.231389 -0.802724 0.847029 Rho 0.1304743E+00 |GRAD(Rho)| 0.9444585E-14 GRAD(Rho)x 0.4852455E-14 GRAD(Rho)y 0.6082913E-14 GRAD(Rho)z -0.5352760E-14 Laplacian 0.5626225E+00 (-1/4)Del**2(Rho)) -0.1406556E+00 Diamond 0.9952312E+00 Metallicity 0.4110905E+01 Ellipticity 0.1297254E-01 Gb(Abramov) 0.1901408E+00 Vb(Abramov) -0.2396259E+00 Hb(Abramov) -0.4948512E-01 Ex_ueg -0.4887479E-01 Ec_ueg -0.7205564E-02 Delta_ex -0.5877412E-01 Delta_ec 0.1543121E-01 Delta_et -0.2023911E+00 Pxc 0.6782923E+01 Qxc -0.3808783E+01 3,-1 153 3 -1 -1.931439 0.519384 2.689306 Rho 0.3120615E+00 |GRAD(Rho)| 0.1059257E-14 GRAD(Rho)x 0.5979138E-15 GRAD(Rho)y -0.1037975E-15 GRAD(Rho)z -0.8681880E-15 Laplacian -0.1548601E+01 (-1/4)Del**2(Rho)) 0.3871503E+00 Diamond 0.5338020E+01 Metallicity -0.6388624E+01 Ellipticity 0.5659846E-02 Gb(Abramov) 0.1541260E+00 Vb(Abramov) -0.6954024E+00 Hb(Abramov) -0.5412763E+00 Ex_ueg -0.1563287E+00 Ec_ueg -0.1956298E-01 Delta_ex 0.1523738E+00 Delta_ec 0.5461233E-01 Delta_et -0.1280977E+01 Pxc 0.7991046E+01 Qxc 0.2790098E+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 67 114 115 89 123 83 112 146 79 71 103 75 78 87 132 152 139 134 140 143 90 91 69 117 99 141 131 137 133 149 150 119 109 64 93 105 118 96 88 116 147 124 113 84 138 151 148 135 142 102 101 70 86 111 73 106 50 65 58 48 63 92 107 153 144 56 81 57 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 19 21 23 25 28 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 21 23 28 36 36 36 45 46 45 27 46 2.350534 1.965574 1.767461 2.155489 1.951887 1.774674 1.773413 2.370782 1.797204 1.975037 1.938291 2.083315 1.772333 2.561122 1.963468 2.030858 1.937795 2.045604 1.807789 2.408583 1.908724 1.789855 2.096883 1.991429 1.766055 2.525028 1.938927 1.890743 1.946094 1.901585 1.763856 2.414830 1.972352 1.944796 1.912516 1.900568 2.338249 1.772354 1.935055 2.048492 2.067219 1.777115 2.583133 1.972744 1.942424 1.889370 1.867779 1.766912 2.434412 2.016803 2.010155 1.804570 2.004476 2.018763 1.766395 3.196485 3.201972 3.161536 3.243803 1.646171 1.759272 1.763195 1.003690 0.992127 1.717494 3.238945 1.897661 2.352101 1.965981 1.767491 2.155974 1.952400 1.774692 1.773431 2.372345 1.797311 1.975411 1.938756 2.083751 1.772347 2.563105 1.963760 2.031054 1.938097 2.045861 1.807797 2.410019 1.908991 1.789941 2.097324 1.991965 1.766058 2.526548 1.939380 1.891076 1.946569 1.902046 1.763866 2.416363 1.973291 1.945363 1.913084 1.900982 2.339558 1.772464 1.935433 2.048930 2.067656 1.777134 2.584684 1.973177 1.942790 1.889808 1.868149 1.766919 2.436343 2.017145 2.011041 1.804575 2.004778 2.019110 1.766411 3.255004 3.304861 3.195730 3.285171 1.646193 1.759304 1.763216 1.003756 0.992184 1.720973 3.240829 1.905803 27 24 24 27 26 23 22 33 25 26 26 30 25 29 24 25 25 24 25 31 27 27 28 25 23 29 26 26 24 25 24 27 28 28 25 26 27 24 25 24 26 23 33 25 25 24 24 22 27 27 26 25 26 27 23 37 36 36 36 24 25 24 18 18 24 35 28 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 W O W Ta W W W O O 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 As O O O O O O O O H H 2.3251 -0.8970 2.3451 2.1783 2.3282 2.4143 2.3905 -0.8873 -0.8714 2.3190 2.3857 2.1750 -1.0846 -0.9105 -1.0893 -1.0917 -0.8414 -1.0003 -0.8419 -0.9824 -0.8905 -1.0062 -0.8941 -0.9944 -0.9860 -0.8421 -0.9850 -0.8877 -1.0023 -0.9665 -1.0243 -0.9972 -0.9888 -1.0276 -1.0447 2.2218 -0.8980 -1.0063 -1.0196 -1.0052 -0.8934 -0.8898 -0.8892 -0.9783 0.2650 0.2669 2.1400 1.9479 2.1356 2.1145 2.1351 2.1099 2.1213 1.9500 1.9503 2.1405 2.1141 2.1224 1.9317 1.9528 1.9301 1.9303 1.9506 1.9253 1.8703 1.9267 1.8657 1.9242 1.9485 1.9267 1.9263 1.9507 1.9278 1.9503 1.9348 1.9359 1.9310 1.9356 1.9371 1.9321 1.9296 0.8977 1.9461 1.9335 1.9334 1.9353 1.9477 1.9495 1.9482 1.9355 0.5744 0.5902 6.1153 4.9192 6.1165 6.0781 6.1224 6.0988 6.1118 4.9063 4.8900 6.1185 6.1044 6.0913 5.1206 4.9255 5.1274 5.1292 4.8599 5.0479 4.9423 5.0280 4.9982 5.0553 4.9141 5.0397 5.0312 4.8601 5.0298 4.9067 5.0391 5.0057 5.0657 5.0321 5.0232 5.0682 5.0901 1.3355 4.9226 5.0437 5.0565 5.0417 4.9160 4.9094 4.9110 5.0181 0.1606 0.1429 3.3907 0.0299 3.3734 2.5945 3.3849 3.3471 3.3469 0.0309 0.0311 3.3927 3.3661 2.5769 0.0323 0.0321 0.0318 0.0322 0.0309 0.0271 0.0294 0.0278 0.0266 0.0267 0.0314 0.0281 0.0284 0.0313 0.0274 0.0307 0.0284 0.0249 0.0275 0.0295 0.0285 0.0273 0.0250 10.5450 0.0294 0.0291 0.0297 0.0283 0.0297 0.0309 0.0300 0.0247 0.0000 0.0000 14.0290 0.0000 14.0293 14.0347 14.0293 14.0299 14.0295 0.0000 0.0000 14.0293 14.0297 14.0344 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 W O W Ta W W W O O 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 As O O O O O O O O H H 2.474799 -0.960484 2.478688 2.353266 2.472440 2.494479 2.497416 -0.945556 -0.932649 2.474020 2.487943 2.367381 -1.090014 -0.997301 -1.098692 -1.094439 -0.916461 -1.022088 -0.694887 -1.009916 -0.729152 -1.033939 -0.874782 -1.009001 -0.998710 -0.913261 -1.016234 -0.895640 -1.017135 -1.064362 -1.039793 -0.998474 -1.011223 -1.032509 -1.068128 2.276236 -0.967061 -1.021025 -1.014950 -1.018392 -0.956418 -0.948988 -0.953719 -1.075559 0.022490 0.021787 1.939650 -0.891283 1.923075 1.827974 1.920237 1.919969 1.945745 -0.878519 -0.848822 1.936643 1.917527 1.869200 -0.705565 -0.832818 -0.714631 -0.706709 -0.826506 -0.782825 -0.865850 -0.748551 -0.945787 -0.786085 -0.797139 -0.739012 -0.738776 -0.829851 -0.779049 -0.808810 -0.860015 -1.004727 -0.871536 -0.822280 -0.864626 -0.854344 -0.916181 1.774629 -0.899722 -0.859421 -0.839591 -0.860223 -0.889208 -0.881186 -0.882107 -1.029991 0.282355 0.304742 2.038475 -0.863556 2.028916 1.946980 2.028066 2.029140 2.055751 -0.839576 -0.827589 2.034025 2.031741 1.991834 -0.779962 -0.773751 -0.809577 -0.785016 -0.829602 -0.878072 -0.899164 -0.843268 -0.954277 -0.891196 -0.854272 -0.841090 -0.834485 -0.834722 -0.859845 -0.855075 -0.885256 -0.992364 -0.914015 -0.877376 -0.885519 -0.908376 -0.962873 1.719240 -0.871526 -0.892458 -0.899590 -0.892036 -0.862470 -0.843474 -0.853943 -0.998582 0.351173 0.338613 -29.39819926 -4.07870441 1.98867809 29.74634079 84.95477272 32.10849032 -13.30621273 -44.31995329 13.96201585 -40.63481943 -310.1146 361.0116 16.2558 -372.5086 -100.6234 -405.9792 Jun19-2024 12:36:21 Nodes: 1 Procs: 1 Jun19-2024 12:36:23 Nodes: 1 Procs: 1 0 Jun19-2024 12:36:25 Nodes: 1 Procs: 1 Jun19-2024 12:36:26 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 12:36:29 Nodes: 1 Procs: 1 Jun19-2024 12:36:32 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 12:36:36 Nodes: 1 Procs: 1 Jun19-2024 12:36:37 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 12:36:40 Nodes: 1 Procs: 1 Jun19-2024 12:36:42 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 12:36:48 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -14.34924980 -14.65806730 -14.73197125 -14.84121340 -14.87064014 -14.88182623 -14.86951373 -14.88479094 -14.89505440 -14.89968260 -14.90275122 -14.90815021 -14.91099320 -14.91372045 -14.91473068 -14.91684356 -14.91711080 -14.91775215 -14.91846648 -14.91852998 -14.91873080 -14.91888539 -14.91906864 -14.91920872 -14.91929419 -14.91935455 -14.91938167 -14.91941245 -14.91942207 -14.91944685 -14.91942593 -14.91942360 -14.91942766 -14.91943295 -14.91946180 GEOMETRY CONVERGED