ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 2.13 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 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:35 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:37 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 2.50 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 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:35 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.82 0.04 2.53 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 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:35 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:45:42 Nodes: 1 Procs: 1 Jun21-2024 08:45:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:48 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.71 0.02 1.40 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 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:35 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:45:42 Nodes: 1 Procs: 1 Jun21-2024 08:45:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:45:48 Nodes: 1 Procs: 1 Jun21-2024 08:45:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:53 Hydrogen (TZP) c10-2 c10-2 c10-2 c10-2 c10-2 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.76 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 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:35 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:45:42 Nodes: 1 Procs: 1 Jun21-2024 08:45:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:45:48 Nodes: 1 Procs: 1 Jun21-2024 08:45:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:45:53 Nodes: 1 Procs: 1 Jun21-2024 08:45:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:46:00 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2700.8935000000065 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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 Jun21-2024 08:45:55 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun21-2024 08:45:39 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun21-2024 08:45:45 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun21-2024 08:45:50 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun21-2024 08:45:35 1 1 Hydrogen TZP 1 1 -17.23641365 0.22103738 0.00100000 F 0.08014825 0.00066667 F 0.22103738 0.08014825 0.24074704 0.01000000 F 0.06303946 0.00666667 F Cartesian 2700.8935000000065 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3,-3 31 3 -3 3.513280 1.454360 -1.480119 Rho 0.3188743E+03 3,-3 32 3 -3 -3.515143 1.540860 1.564795 Rho 0.3188399E+03 3,-3 33 3 -3 1.471269 -1.549564 3.541104 Rho 0.3188791E+03 3,-3 34 3 -3 1.665985 1.525403 -3.450067 Rho 0.3188695E+03 3,-3 35 3 -3 -1.498515 1.567144 3.487420 Rho 0.3188727E+03 3,-3 36 3 -3 -1.472777 -1.432747 -3.746646 Rho 0.3186215E+03 3,-3 37 3 -3 -1.461982 -3.809741 -1.292710 Rho 0.3186218E+03 3,-3 38 3 -3 -1.500329 3.459651 1.587225 Rho 0.3188769E+03 3,-3 39 3 -3 1.561944 -3.447570 1.655801 Rho 0.3188829E+03 3,-3 40 3 -3 1.576062 3.492147 -1.497560 Rho 0.3188376E+03 3,-3 41 3 -3 -0.219573 -3.822281 3.855174 Rho 0.3191391E+03 3,-3 42 3 -3 3.896551 -0.271242 -3.716788 Rho 0.3191178E+03 3,-3 43 3 -3 -0.131269 3.837023 -3.868952 Rho 0.3190244E+03 3,-3 44 3 -3 0.237366 3.813629 3.815517 Rho 0.3191328E+03 3,-3 45 3 -3 3.861079 -3.787394 -0.116133 Rho 0.3191209E+03 3,-3 46 3 -3 3.900947 3.826027 0.229848 Rho 0.3190244E+03 3,-3 47 3 -3 -3.845274 3.859693 -0.190727 Rho 0.3190279E+03 3,-3 48 3 -3 -3.882146 -3.839332 0.239588 Rho 0.3190307E+03 3,-3 49 3 -3 -3.861273 0.182428 -3.844442 Rho 0.3190257E+03 3,-3 50 3 -3 -3.815771 -0.204281 3.895990 Rho 0.3190335E+03 3,-3 51 3 -3 3.817664 0.175146 3.939946 Rho 0.3190285E+03 3,-3 52 3 -3 -0.532162 -1.382182 -3.427378 Rho 0.4474285E+00 3,-3 53 3 -3 -0.511841 -3.513262 -1.224975 Rho 0.4430767E+00 3,-3 54 3 +1 -2.212512 1.350788 1.135129 Rho 0.2411626E-01 |GRAD(Rho)| 0.9241922E-14 GRAD(Rho)x -0.4844620E-14 GRAD(Rho)y 0.6595715E-14 GRAD(Rho)z -0.4294105E-14 Laplacian 0.8753515E-01 (-1/4)Del**2(Rho)) -0.2188379E-01 Diamond 0.1096735E-01 Metallicity 0.1584700E+01 Ellipticity -0.5394525E+01 Gb(Abramov) 0.2036907E-01 Vb(Abramov) -0.1885434E-01 Hb(Abramov) 0.1514722E-02 Ex_ueg -0.5145942E-02 Ec_ueg -0.1044323E-02 Delta_ex -0.5400399E-02 Delta_ec 0.1500060E-02 Delta_et -0.1312117E-01 Pxc 0.4927540E+01 Qxc -0.3600122E+01 3,+1 55 3 +1 -0.563165 -0.559351 1.719703 Rho 0.7700201E-02 |GRAD(Rho)| 0.1107515E-16 GRAD(Rho)x 0.3922426E-17 GRAD(Rho)y -0.2218528E-17 GRAD(Rho)z -0.1011690E-16 Laplacian 0.2929960E-01 (-1/4)Del**2(Rho)) -0.7324900E-02 Diamond 0.6702597E-03 Metallicity 0.7061901E+00 Ellipticity -0.1420287E+01 Gb(Abramov) 0.5745395E-02 Vb(Abramov) -0.4165890E-02 Hb(Abramov) 0.1579505E-02 Ex_ueg -0.1123021E-02 Ec_ueg -0.2649023E-03 Delta_ex -0.1299542E-02 Delta_ec 0.4083043E-03 Delta_et -0.2715620E-02 Pxc 0.4239378E+01 Qxc -0.3182778E+01 3,+1 56 3 -1 -1.818104 -2.830328 0.610231 Rho 0.9630287E-01 |GRAD(Rho)| 0.8815225E-16 GRAD(Rho)x 0.2524158E-16 GRAD(Rho)y -0.1650359E-16 GRAD(Rho)z 0.8283305E-16 Laplacian 0.4121084E+00 (-1/4)Del**2(Rho)) -0.1030271E+00 Diamond 0.5088800E+00 Metallicity 0.3383248E+01 Ellipticity 0.2668425E-01 Gb(Abramov) 0.1267791E+00 Vb(Abramov) -0.1505311E+00 Hb(Abramov) -0.2375199E-01 Ex_ueg -0.3260148E-01 Ec_ueg -0.5101642E-02 Delta_ex -0.4015491E-01 Delta_ec 0.1220062E-01 Delta_et -0.1511171E+00 Pxc 0.6390390E+01 Qxc -0.3291218E+01 3,-1 57 3 -1 -1.791037 -1.767259 -0.534376 Rho 0.4895540E-01 |GRAD(Rho)| 0.1887938E-13 GRAD(Rho)x -0.1499136E-14 GRAD(Rho)y 0.1808818E-13 GRAD(Rho)z 0.5196283E-14 Laplacian 0.2078017E+00 (-1/4)Del**2(Rho)) -0.5195042E-01 Diamond 0.1107244E+00 Metallicity 0.2172527E+01 Ellipticity 0.2435235E-01 Gb(Abramov) 0.5344423E-01 Vb(Abramov) -0.5493803E-01 Hb(Abramov) -0.1493805E-02 Ex_ueg -0.1322673E-01 Ec_ueg -0.2357214E-02 Delta_ex -0.1738486E-01 Delta_ec 0.6854687E-02 Delta_et -0.7205982E-01 Pxc 0.5611171E+01 Qxc -0.2536200E+01 3,-1 58 3 -1 -3.286481 -3.265501 0.067537 Rho 0.1958153E+00 |GRAD(Rho)| 0.4985850E-15 GRAD(Rho)x 0.6667843E-17 GRAD(Rho)y -0.4832831E-15 GRAD(Rho)z 0.1223929E-15 Laplacian 0.7522627E+00 (-1/4)Del**2(Rho)) -0.1880657E+00 Diamond 0.2093179E+01 Metallicity 0.6048598E+01 Ellipticity 0.2728465E-02 Gb(Abramov) 0.3149661E+00 Vb(Abramov) -0.4418665E+00 Hb(Abramov) -0.1269004E+00 Ex_ueg -0.8398092E-01 Ec_ueg -0.1143847E-01 Delta_ex -0.8630979E-01 Delta_ec 0.1773191E-01 Delta_et -0.2430807E+00 Pxc 0.7341974E+01 Qxc -0.4867484E+01 3,-1 59 3 +3 -1.139394 -1.130109 1.188652 Rho 0.4871129E-02 |GRAD(Rho)| 0.8794631E-17 GRAD(Rho)x 0.2239838E-17 GRAD(Rho)y -0.1501116E-17 GRAD(Rho)z 0.8371099E-17 Laplacian 0.1825814E-01 (-1/4)Del**2(Rho)) -0.4564536E-02 Diamond 0.1216122E-03 Metallicity 0.5282903E+00 Ellipticity -0.1724082E+00 Gb(Abramov) 0.3444924E-02 Vb(Abramov) -0.2325312E-02 Hb(Abramov) 0.1119612E-02 Ex_ueg -0.6098522E-03 Ec_ueg -0.1413712E-03 Delta_ex -0.6248966E-03 Delta_ec 0.7800592E-04 Delta_et -0.6217978E-03 Pxc 0.4313837E+01 Qxc -0.8010887E+01 3,+3 60 3 -1 -3.075972 0.874203 2.034950 Rho 0.1323375E+00 |GRAD(Rho)| 0.2152602E-14 GRAD(Rho)x 0.8469516E-15 GRAD(Rho)y -0.1584372E-14 GRAD(Rho)z 0.1185805E-14 Laplacian 0.5320268E+00 (-1/4)Del**2(Rho)) -0.1330067E+00 Diamond 0.9472776E+00 Metallicity 0.4451278E+01 Ellipticity 0.1767429E-01 Gb(Abramov) 0.1873461E+00 Vb(Abramov) -0.2416855E+00 Hb(Abramov) -0.5433941E-01 Ex_ueg -0.4980762E-01 Ec_ueg -0.7322641E-02 Delta_ex -0.5564893E-01 Delta_ec 0.1433326E-01 Delta_et -0.1880585E+00 Pxc 0.6801866E+01 Qxc -0.3882502E+01 3,-1 61 3 -1 -3.068812 2.019353 0.869734 Rho 0.1156690E+00 |GRAD(Rho)| 0.5196390E-15 GRAD(Rho)x -0.3370581E-15 GRAD(Rho)y -0.1727879E-15 GRAD(Rho)z 0.3557538E-15 Laplacian 0.4723689E+00 (-1/4)Del**2(Rho)) -0.1180922E+00 Diamond 0.7164923E+00 Metallicity 0.4005841E+01 Ellipticity 0.7632616E-02 Gb(Abramov) 0.1575713E+00 Vb(Abramov) -0.1970503E+00 Hb(Abramov) -0.3947904E-01 Ex_ueg -0.4162375E-01 Ec_ueg -0.6283634E-02 Delta_ex -0.4786715E-01 Delta_ec 0.1315850E-01 Delta_et -0.1686584E+00 Pxc 0.6624153E+01 Qxc -0.3637735E+01 3,-1 62 3 +3 -1.967647 1.943710 1.955716 Rho 0.1148550E-01 |GRAD(Rho)| 0.9565111E-17 GRAD(Rho)x 0.6223132E-17 GRAD(Rho)y -0.2004861E-17 GRAD(Rho)z 0.6981727E-17 Laplacian 0.4868168E-01 (-1/4)Del**2(Rho)) -0.1217042E-01 Diamond 0.1036837E-02 Metallicity 0.8276192E+00 Ellipticity -0.8340640E+00 Gb(Abramov) 0.9792358E-02 Vb(Abramov) -0.7414297E-02 Hb(Abramov) 0.2378061E-02 Ex_ueg -0.1913895E-02 Ec_ueg -0.4358701E-03 Delta_ex -0.2120341E-02 Delta_ec 0.1942409E-03 Delta_et -0.1784895E-02 Pxc 0.4390975E+01 Qxc -0.1091604E+02 3,+3 63 3 -1 -3.046134 -2.099592 -0.925064 Rho 0.1338573E+00 |GRAD(Rho)| 0.1852214E-14 GRAD(Rho)x -0.1340440E-14 GRAD(Rho)y 0.1267066E-14 GRAD(Rho)z 0.1687019E-15 Laplacian 0.5307075E+00 (-1/4)Del**2(Rho)) -0.1326769E+00 Diamond 0.9603659E+00 Metallicity 0.4548080E+01 Ellipticity 0.3065023E-01 Gb(Abramov) 0.1890221E+00 Vb(Abramov) -0.2453673E+00 Hb(Abramov) -0.5634522E-01 Ex_ueg -0.5057174E-01 Ec_ueg -0.7418302E-02 Delta_ex -0.5569111E-01 Delta_ec 0.1430841E-01 Delta_et -0.1881796E+00 Pxc 0.6817158E+01 Qxc -0.3892195E+01 3,-1 64 3 +1 -1.717053 -0.545870 0.606698 Rho 0.8346392E-02 |GRAD(Rho)| 0.4658849E-11 GRAD(Rho)x 0.1467751E-11 GRAD(Rho)y -0.1470456E-11 GRAD(Rho)z -0.4169933E-11 Laplacian 0.3070202E-01 (-1/4)Del**2(Rho)) -0.7675505E-02 Diamond 0.7770467E-03 Metallicity 0.7708043E+00 Ellipticity -0.1484806E+01 Gb(Abramov) 0.6103056E-02 Vb(Abramov) -0.4530606E-02 Hb(Abramov) 0.1572450E-02 Ex_ueg -0.1250403E-02 Ec_ueg -0.2936473E-03 Delta_ex -0.1386508E-02 Delta_ec 0.4221965E-03 Delta_et -0.2871607E-02 Pxc 0.4258180E+01 Qxc -0.3284036E+01 3,+1 65 3 +1 -0.551098 1.698547 -0.577612 Rho 0.7281555E-02 |GRAD(Rho)| 0.9430687E-17 GRAD(Rho)x 0.6390982E-17 GRAD(Rho)y -0.6440703E-17 GRAD(Rho)z 0.2571100E-17 Laplacian 0.2665875E-01 (-1/4)Del**2(Rho)) -0.6664689E-02 Diamond 0.5537523E-03 Metallicity 0.7070990E+00 Ellipticity -0.1418054E+01 Gb(Abramov) 0.5228558E-02 Vb(Abramov) -0.3792428E-02 Hb(Abramov) 0.1436130E-02 Ex_ueg -0.1042359E-02 Ec_ueg -0.2463812E-03 Delta_ex -0.1159546E-02 Delta_ec 0.3600167E-03 Delta_et -0.2369923E-02 Pxc 0.4230676E+01 Qxc -0.3220811E+01 3,+1 66 3 -1 -3.025437 -0.943845 -2.085230 Rho 0.1129879E+00 |GRAD(Rho)| 0.1735674E-15 GRAD(Rho)x 0.8996845E-16 GRAD(Rho)y -0.8716985E-16 GRAD(Rho)z 0.1201364E-15 Laplacian 0.4557920E+00 (-1/4)Del**2(Rho)) -0.1139480E+00 Diamond 0.6748969E+00 Metallicity 0.3992389E+01 Ellipticity 0.1053445E-01 Gb(Abramov) 0.1517861E+00 Vb(Abramov) -0.1896242E+00 Hb(Abramov) -0.3783812E-01 Ex_ueg -0.4034231E-01 Ec_ueg -0.6118314E-02 Delta_ex -0.4597375E-01 Delta_ec 0.1283681E-01 Delta_et -0.1639213E+00 Pxc 0.6593698E+01 Qxc -0.3581401E+01 3,-1 67 3 +1 -2.992596 -0.178298 -0.143847 Rho 0.4788293E-02 |GRAD(Rho)| 0.6191958E-17 GRAD(Rho)x 0.6059660E-18 GRAD(Rho)y -0.6162236E-17 GRAD(Rho)z -0.2035602E-20 Laplacian 0.1782132E-01 (-1/4)Del**2(Rho)) -0.4455330E-02 Diamond 0.3636768E-03 Metallicity 0.5259864E+00 Ellipticity -0.3488928E+01 Gb(Abramov) 0.3360794E-02 Vb(Abramov) -0.2266257E-02 Hb(Abramov) 0.1094536E-02 Ex_ueg -0.5960637E-03 Ec_ueg -0.1378136E-03 Delta_ex -0.8507412E-03 Delta_ec 0.5112305E-03 Delta_et -0.2760842E-02 Pxc 0.4325145E+01 Qxc -0.1664105E+01 3,+1 68 3 -1 -3.263010 3.261679 -0.060257 Rho 0.1959537E+00 |GRAD(Rho)| 0.2177324E-14 GRAD(Rho)x -0.2673643E-15 GRAD(Rho)y 0.1485303E-14 GRAD(Rho)z 0.1569437E-14 Laplacian 0.7424780E+00 (-1/4)Del**2(Rho)) -0.1856195E+00 Diamond 0.2069794E+01 Metallicity 0.6135527E+01 Ellipticity 0.3389017E-02 Gb(Abramov) 0.3135586E+00 Vb(Abramov) -0.4414977E+00 Hb(Abramov) -0.1279391E+00 Ex_ueg -0.8406004E-01 Ec_ueg -0.1144769E-01 Delta_ex -0.8521703E-01 Delta_ec 0.1752390E-01 Delta_et -0.2403312E+00 Pxc 0.7342968E+01 Qxc -0.4862903E+01 3,-1 69 3 +3 -2.423343 0.025987 0.054138 Rho 0.4216295E-02 |GRAD(Rho)| 0.3298111E-17 GRAD(Rho)x 0.1252914E-17 GRAD(Rho)y -0.1218174E-18 GRAD(Rho)z -0.3048426E-17 Laplacian 0.1650018E-01 (-1/4)Del**2(Rho)) -0.4125046E-02 Diamond 0.1286441E-03 Metallicity 0.4595605E+00 Ellipticity -0.2044928E+00 Gb(Abramov) 0.3065982E-02 Vb(Abramov) -0.2006918E-02 Hb(Abramov) 0.1059064E-02 Ex_ueg -0.5030676E-03 Ec_ueg -0.1133443E-03 Delta_ex -0.5874343E-03 Delta_ec 0.1504719E-03 Delta_et -0.9278390E-03 Pxc 0.4438404E+01 Qxc -0.3903946E+01 3,+3 70 3 -1 -2.841209 -0.593599 1.854916 Rho 0.1294766E+00 |GRAD(Rho)| 0.1461646E-13 GRAD(Rho)x -0.8535097E-14 GRAD(Rho)y -0.8023394E-14 GRAD(Rho)z -0.8741746E-14 Laplacian 0.5446478E+00 (-1/4)Del**2(Rho)) -0.1361619E+00 Diamond 0.9468383E+00 Metallicity 0.4192597E+01 Ellipticity 0.1872989E-01 Gb(Abramov) 0.1859200E+00 Vb(Abramov) -0.2356781E+00 Hb(Abramov) -0.4975805E-01 Ex_ueg -0.4837715E-01 Ec_ueg -0.7142974E-02 Delta_ex -0.5669828E-01 Delta_ec 0.1479733E-01 Delta_et -0.1935249E+00 Pxc 0.6772690E+01 Qxc -0.3831656E+01 3,-1 71 3 -1 -3.256902 0.034941 -3.272352 Rho 0.1954832E+00 |GRAD(Rho)| 0.1999768E-14 GRAD(Rho)x 0.1585158E-14 GRAD(Rho)y -0.3415372E-15 GRAD(Rho)z 0.1170342E-14 Laplacian 0.7482151E+00 (-1/4)Del**2(Rho)) -0.1870538E+00 Diamond 0.2079203E+01 Metallicity 0.6064137E+01 Ellipticity 0.1280874E-02 Gb(Abramov) 0.3137558E+00 Vb(Abramov) -0.4404579E+00 Hb(Abramov) -0.1267020E+00 Ex_ueg -0.8379104E-01 Ec_ueg -0.1141632E-01 Delta_ex -0.8581900E-01 Delta_ec 0.1766373E-01 Delta_et -0.2421747E+00 Pxc 0.7339584E+01 Qxc -0.4858486E+01 3,-1 72 3 -1 -3.252104 -0.052677 3.285911 Rho 0.1964237E+00 |GRAD(Rho)| 0.6076478E-14 GRAD(Rho)x -0.6279699E-15 GRAD(Rho)y 0.4016075E-14 GRAD(Rho)z -0.4516678E-14 Laplacian 0.7467829E+00 (-1/4)Del**2(Rho)) -0.1866957E+00 Diamond 0.2085390E+01 Metallicity 0.6124567E+01 Ellipticity 0.2135999E-02 Gb(Abramov) 0.3150356E+00 Vb(Abramov) -0.4433754E+00 Hb(Abramov) -0.1283398E+00 Ex_ueg -0.8432901E-01 Ec_ueg -0.1147905E-01 Delta_ex -0.8574668E-01 Delta_ec 0.1758416E-01 Delta_et -0.2411067E+00 Pxc 0.7346341E+01 Qxc -0.4876359E+01 3,-1 73 3 -1 -2.835208 0.558745 -1.858978 Rho 0.1214226E+00 |GRAD(Rho)| 0.1019705E-15 GRAD(Rho)x 0.2433356E-16 GRAD(Rho)y -0.8542158E-16 GRAD(Rho)z 0.5009014E-16 Laplacian 0.5137117E+00 (-1/4)Del**2(Rho)) -0.1284279E+00 Diamond 0.8291431E+00 Metallicity 0.3993863E+01 Ellipticity 0.1131067E-01 Gb(Abramov) 0.1711059E+00 Vb(Abramov) -0.2137838E+00 Hb(Abramov) -0.4267795E-01 Ex_ueg -0.4440699E-01 Ec_ueg -0.6640123E-02 Delta_ex -0.5269820E-01 Delta_ec 0.1422460E-01 Delta_et -0.1840579E+00 Pxc 0.6687676E+01 Qxc -0.3704722E+01 3,-1 74 3 +1 -0.605122 -1.708104 0.545150 Rho 0.8374296E-02 |GRAD(Rho)| 0.5201436E-14 GRAD(Rho)x 0.1745409E-14 GRAD(Rho)y 0.3590070E-14 GRAD(Rho)z -0.3334649E-14 Laplacian 0.3180905E-01 (-1/4)Del**2(Rho)) -0.7952262E-02 Diamond 0.8384210E-03 Metallicity 0.7481287E+00 Ellipticity -0.1490698E+01 Gb(Abramov) 0.6293060E-02 Vb(Abramov) -0.4633859E-02 Hb(Abramov) 0.1659201E-02 Ex_ueg -0.1255980E-02 Ec_ueg -0.2948928E-03 Delta_ex -0.1451577E-02 Delta_ec 0.4621634E-03 Delta_et -0.3125397E-02 Pxc 0.4259107E+01 Qxc -0.3140830E+01 3,+1 75 3 -1 0.872135 -3.020144 2.103441 Rho 0.1336782E+00 |GRAD(Rho)| 0.6169673E-15 GRAD(Rho)x -0.3953950E-15 GRAD(Rho)y 0.4003145E-15 GRAD(Rho)z 0.2531002E-15 Laplacian 0.5260978E+00 (-1/4)Del**2(Rho)) -0.1315245E+00 Diamond 0.9230154E+00 Metallicity 0.4577706E+01 Ellipticity 0.5470987E-01 Gb(Abramov) 0.1880297E+00 Vb(Abramov) -0.2445349E+00 Hb(Abramov) -0.5650523E-01 Ex_ueg -0.5048155E-01 Ec_ueg -0.7407023E-02 Delta_ex -0.5487045E-01 Delta_ec 0.1361878E-01 Delta_et -0.1779981E+00 Pxc 0.6815363E+01 Qxc -0.4029029E+01 3,-1 76 3 +1 -1.724191 0.572789 -0.524358 Rho 0.8244314E-02 |GRAD(Rho)| 0.2083516E-16 GRAD(Rho)x -0.1687994E-16 GRAD(Rho)y 0.1046563E-16 GRAD(Rho)z -0.6296176E-17 Laplacian 0.3022115E-01 (-1/4)Del**2(Rho)) -0.7555287E-02 Diamond 0.7467438E-03 Metallicity 0.7671726E+00 Ellipticity -0.1474576E+01 Gb(Abramov) 0.6002893E-02 Vb(Abramov) -0.4450498E-02 Hb(Abramov) 0.1552394E-02 Ex_ueg -0.1230055E-02 Ec_ueg -0.2890939E-03 Delta_ex -0.1357963E-02 Delta_ec 0.4109760E-03 Delta_et -0.2790371E-02 Pxc 0.4254861E+01 Qxc -0.3304240E+01 3,+1 77 3 +1 -1.791120 1.810413 -1.790211 Rho 0.1109056E-01 |GRAD(Rho)| 0.8192368E-17 GRAD(Rho)x -0.2695847E-17 GRAD(Rho)y 0.2823184E-17 GRAD(Rho)z 0.7202564E-17 Laplacian 0.4963003E-01 (-1/4)Del**2(Rho)) -0.1240751E-01 Diamond 0.1637272E-02 Metallicity 0.7658158E+00 Ellipticity -0.1246007E+01 Gb(Abramov) 0.9855315E-02 Vb(Abramov) -0.7303124E-02 Hb(Abramov) 0.2552191E-02 Ex_ueg -0.1826654E-02 Ec_ueg -0.4177505E-03 Delta_ex -0.2342056E-02 Delta_ec 0.5594959E-03 Delta_et -0.4182598E-02 Pxc 0.4372596E+01 Qxc -0.4186011E+01 3,+1 78 3 +3 -1.127769 1.168140 -1.117886 Rho 0.4792527E-02 |GRAD(Rho)| 0.2282459E-15 GRAD(Rho)x 0.1898259E-15 GRAD(Rho)y -0.4611459E-16 GRAD(Rho)z 0.1180499E-15 Laplacian 0.1716418E-01 (-1/4)Del**2(Rho)) -0.4291046E-02 Diamond 0.1079843E-03 Metallicity 0.5469289E+00 Ellipticity -0.1229460E+00 Gb(Abramov) 0.3251847E-02 Vb(Abramov) -0.2212648E-02 Hb(Abramov) 0.1039199E-02 Ex_ueg -0.5967665E-03 Ec_ueg -0.1379953E-03 Delta_ex -0.5810522E-03 Delta_ec 0.6662595E-04 Delta_et -0.5496914E-03 Pxc 0.4324541E+01 Qxc -0.8721110E+01 3,+3 79 3 -1 -2.849209 1.824009 -0.593771 Rho 0.1312229E+00 |GRAD(Rho)| 0.1468523E-15 GRAD(Rho)x 0.2665104E-16 GRAD(Rho)y 0.1424642E-15 GRAD(Rho)z 0.2364916E-16 Laplacian 0.5473388E+00 (-1/4)Del**2(Rho)) -0.1368347E+00 Diamond 0.9653352E+00 Metallicity 0.4266185E+01 Ellipticity 0.1892941E-01 Gb(Abramov) 0.1885168E+00 Vb(Abramov) -0.2401990E+00 Hb(Abramov) -0.5168213E-01 Ex_ueg -0.4924906E-01 Ec_ueg -0.7252577E-02 Delta_ex -0.5714217E-01 Delta_ec 0.1478910E-01 Delta_et -0.1937916E+00 Pxc 0.6790560E+01 Qxc -0.3863803E+01 3,-1 80 3 +1 0.373404 -0.756325 -1.863834 Rho 0.5721613E-02 |GRAD(Rho)| 0.5486677E-17 GRAD(Rho)x -0.3590024E-17 GRAD(Rho)y 0.1284528E-17 GRAD(Rho)z 0.3945293E-17 Laplacian 0.2215297E-01 (-1/4)Del**2(Rho)) -0.5538242E-02 Diamond 0.5289732E-03 Metallicity 0.5693492E+00 Ellipticity -0.2155201E+01 Gb(Abramov) 0.4217693E-02 Vb(Abramov) -0.2897145E-02 Hb(Abramov) 0.1320548E-02 Ex_ueg -0.7558048E-03 Ec_ueg -0.1780977E-03 Delta_ex -0.1060670E-02 Delta_ec 0.5724648E-03 Delta_et -0.3286947E-02 Pxc 0.4243765E+01 Qxc -0.1852812E+01 3,+1 81 3 +1 -0.582113 0.520569 -1.691867 Rho 0.8192842E-02 |GRAD(Rho)| 0.3759031E-16 GRAD(Rho)x 0.3546349E-16 GRAD(Rho)y 0.1122120E-16 GRAD(Rho)z 0.5427410E-17 Laplacian 0.3015244E-01 (-1/4)Del**2(Rho)) -0.7538109E-02 Diamond 0.7508316E-03 Metallicity 0.7609364E+00 Ellipticity -0.1486750E+01 Gb(Abramov) 0.5981410E-02 Vb(Abramov) -0.4424710E-02 Hb(Abramov) 0.1556699E-02 Ex_ueg -0.1219826E-02 Ec_ueg -0.2867997E-03 Delta_ex -0.1358550E-02 Delta_ec 0.4204404E-03 Delta_et -0.2841196E-02 Pxc 0.4253232E+01 Qxc -0.3231255E+01 3,+1 82 3 +1 -2.061379 2.040731 2.054343 Rho 0.1153702E-01 |GRAD(Rho)| 0.4183857E-14 GRAD(Rho)x 0.2587740E-14 GRAD(Rho)y -0.2361138E-14 GRAD(Rho)z -0.2287638E-14 Laplacian 0.4938100E-01 (-1/4)Del**2(Rho)) -0.1234525E-01 Diamond 0.1369392E-02 Metallicity 0.8220074E+00 Ellipticity -0.1110937E+01 Gb(Abramov) 0.9921482E-02 Vb(Abramov) -0.7497713E-02 Hb(Abramov) 0.2423769E-02 Ex_ueg -0.1925350E-02 Ec_ueg -0.4382385E-03 Delta_ex -0.2248354E-02 Delta_ec 0.3661606E-03 Delta_et -0.2934755E-02 Pxc 0.4393385E+01 Qxc -0.6140351E+01 3,+1 83 3 +1 -0.051587 -1.081952 -2.254824 Rho 0.5912137E-02 |GRAD(Rho)| 0.8110299E-17 GRAD(Rho)x 0.7893980E-17 GRAD(Rho)y -0.8491217E-18 GRAD(Rho)z -0.1655603E-17 Laplacian 0.2275757E-01 (-1/4)Del**2(Rho)) -0.5689392E-02 Diamond 0.6264275E-03 Metallicity 0.5853219E+00 Ellipticity -0.2988170E+01 Gb(Abramov) 0.4347949E-02 Vb(Abramov) -0.3006506E-02 Hb(Abramov) 0.1341443E-02 Ex_ueg -0.7895464E-03 Ec_ueg -0.1863745E-03 Delta_ex -0.1140588E-02 Delta_ec 0.6656413E-03 Delta_et -0.3821386E-02 Pxc 0.4236344E+01 Qxc -0.1713518E+01 3,+1 84 3 +1 -1.783180 -1.790982 1.845022 Rho 0.1151414E-01 |GRAD(Rho)| 0.3402623E-15 GRAD(Rho)x 0.2287424E-15 GRAD(Rho)y 0.1048098E-16 GRAD(Rho)z 0.2516854E-15 Laplacian 0.5434961E-01 (-1/4)Del**2(Rho)) -0.1358740E-01 Diamond 0.1968364E-02 Metallicity 0.7443934E+00 Ellipticity -0.1257779E+01 Gb(Abramov) 0.1074400E-01 Vb(Abramov) -0.7900592E-02 Hb(Abramov) 0.2843405E-02 Ex_ueg -0.1920262E-02 Ec_ueg -0.4371867E-03 Delta_ex -0.2615285E-02 Delta_ec 0.6566844E-03 Delta_et -0.4912702E-02 Pxc 0.4392315E+01 Qxc -0.3982560E+01 3,+1 85 3 +1 -2.241573 -1.136740 -1.440397 Rho 0.2747441E-01 |GRAD(Rho)| 0.4946543E-15 GRAD(Rho)x -0.2022317E-15 GRAD(Rho)y 0.4344990E-15 GRAD(Rho)z -0.1224574E-15 Laplacian 0.1061332E+00 (-1/4)Del**2(Rho)) -0.2653330E-01 Diamond 0.1532818E-01 Metallicity 0.1624211E+01 Ellipticity -0.3759819E+01 Gb(Abramov) 0.2487148E-01 Vb(Abramov) -0.2320966E-01 Hb(Abramov) 0.1661820E-02 Ex_ueg -0.6122886E-02 Ec_ueg -0.1214086E-02 Delta_ex -0.6724017E-02 Delta_ec 0.1719008E-02 Delta_et -0.1553883E-01 Pxc 0.5043207E+01 Qxc -0.3911568E+01 3,+1 86 3 -1 -1.743485 1.735156 0.523160 Rho 0.4038829E-01 |GRAD(Rho)| 0.4262121E-13 GRAD(Rho)x -0.2832313E-13 GRAD(Rho)y 0.2877792E-13 GRAD(Rho)z -0.1364547E-13 Laplacian 0.1688861E+00 (-1/4)Del**2(Rho)) -0.4222152E-01 Diamond 0.6877810E-01 Metallicity 0.1939896E+01 Ellipticity 0.1328905E-01 Gb(Abramov) 0.4179857E-01 Vb(Abramov) -0.4137563E-01 Hb(Abramov) 0.4229472E-03 Ex_ueg -0.1023432E-01 Ec_ueg -0.1890904E-02 Delta_ex -0.1345056E-01 Delta_ec 0.5523811E-02 Delta_et -0.5509895E-01 Pxc 0.5412395E+01 Qxc -0.2435015E+01 3,-1 87 3 -1 -1.841258 2.861680 -0.590182 Rho 0.1257122E+00 |GRAD(Rho)| 0.1278337E-12 GRAD(Rho)x -0.1024263E-12 GRAD(Rho)y -0.3640975E-13 GRAD(Rho)z 0.6726549E-13 Laplacian 0.5333124E+00 (-1/4)Del**2(Rho)) -0.1333281E+00 Diamond 0.8946378E+00 Metallicity 0.4076246E+01 Ellipticity 0.1227610E-01 Gb(Abramov) 0.1794651E+00 Vb(Abramov) -0.2256021E+00 Hb(Abramov) -0.4613700E-01 Ex_ueg -0.4651092E-01 Ec_ueg -0.6907394E-02 Delta_ex -0.5512613E-01 Delta_ec 0.1458543E-01 Delta_et -0.1897818E+00 Pxc 0.6733498E+01 Qxc -0.3779535E+01 3,-1 88 3 -1 -2.008601 3.029162 0.879227 Rho 0.1065907E+00 |GRAD(Rho)| 0.1966625E-15 GRAD(Rho)x 0.1599740E-15 GRAD(Rho)y 0.3634110E-16 GRAD(Rho)z 0.1084609E-15 Laplacian 0.4367932E+00 (-1/4)Del**2(Rho)) -0.1091983E+00 Diamond 0.6037332E+00 Metallicity 0.3780385E+01 Ellipticity 0.1370186E-01 Gb(Abramov) 0.1416008E+00 Vb(Abramov) -0.1740033E+00 Hb(Abramov) -0.3240251E-01 Ex_ueg -0.3732594E-01 Ec_ueg -0.5725993E-02 Delta_ex -0.4347427E-01 Delta_ec 0.1248566E-01 Delta_et -0.1576846E+00 Pxc 0.6518684E+01 Qxc -0.3481937E+01 3,-1 89 3 +1 2.207869 1.337366 -1.060909 Rho 0.2475014E-01 |GRAD(Rho)| 0.2239661E-16 GRAD(Rho)x 0.1970568E-16 GRAD(Rho)y 0.1024136E-16 GRAD(Rho)z -0.2899840E-17 Laplacian 0.9377327E-01 (-1/4)Del**2(Rho)) -0.2344332E-01 Diamond 0.1207517E-01 Metallicity 0.1544651E+01 Ellipticity -0.4132381E+01 Gb(Abramov) 0.2166417E-01 Vb(Abramov) -0.1988502E-01 Hb(Abramov) 0.1779149E-02 Ex_ueg -0.5327074E-02 Ec_ueg -0.1076143E-02 Delta_ex -0.5814266E-02 Delta_ec 0.1587150E-02 Delta_et -0.1397664E-01 Pxc 0.4950156E+01 Qxc -0.3663338E+01 3,+1 90 3 +1 -1.421999 2.191521 1.059794 Rho 0.2499485E-01 |GRAD(Rho)| 0.2575001E-13 GRAD(Rho)x -0.1912924E-13 GRAD(Rho)y 0.9326672E-14 GRAD(Rho)z -0.1449650E-13 Laplacian 0.9436839E-01 (-1/4)Del**2(Rho)) -0.2359210E-01 Diamond 0.1122805E-01 Metallicity 0.1560286E+01 Ellipticity -0.2753454E+01 Gb(Abramov) 0.2186313E-01 Vb(Abramov) -0.2013417E-01 Hb(Abramov) 0.1728963E-02 Ex_ueg -0.5397414E-02 Ec_ueg -0.1088455E-02 Delta_ex -0.5748209E-02 Delta_ec 0.1385913E-02 Delta_et -0.1228310E-01 Pxc 0.4958786E+01 Qxc -0.4147598E+01 3,+1 91 3 -1 -1.773225 -0.554479 -1.754099 Rho 0.4714236E-01 |GRAD(Rho)| 0.1240543E-15 GRAD(Rho)x -0.8618984E-16 GRAD(Rho)y 0.6779609E-16 GRAD(Rho)z -0.5800397E-16 Laplacian 0.1993087E+00 (-1/4)Del**2(Rho)) -0.4982718E-01 Diamond 0.1010672E+00 Metallicity 0.2127024E+01 Ellipticity 0.2501094E-01 Gb(Abramov) 0.5088205E-01 Vb(Abramov) -0.5193693E-01 Hb(Abramov) -0.1054875E-02 Ex_ueg -0.1257767E-01 Ec_ueg -0.2257533E-02 Delta_ex -0.1652846E-01 Delta_ec 0.6590472E-02 Delta_et -0.6858369E-01 Pxc 0.5571420E+01 Qxc -0.2507932E+01 3,-1 92 3 -1 -1.825612 -0.580983 2.857100 Rho 0.1061115E+00 |GRAD(Rho)| 0.1606469E-15 GRAD(Rho)x 0.1567214E-15 GRAD(Rho)y -0.3333922E-17 GRAD(Rho)z 0.3513831E-16 Laplacian 0.4583912E+00 (-1/4)Del**2(Rho)) -0.1145978E+00 Diamond 0.6336819E+00 Metallicity 0.3575316E+01 Ellipticity 0.9652144E-02 Gb(Abramov) 0.1446858E+00 Vb(Abramov) -0.1747737E+00 Hb(Abramov) -0.3008796E-01 Ex_ueg -0.3710238E-01 Ec_ueg -0.5696730E-02 Delta_ex -0.4563189E-01 Delta_ec 0.1321560E-01 Delta_et -0.1668842E+00 Pxc 0.6512926E+01 Qxc -0.3452882E+01 3,-1 93 3 -1 -1.807476 0.568977 -2.849940 Rho 0.1236232E+00 |GRAD(Rho)| 0.1265486E-15 GRAD(Rho)x -0.8895879E-16 GRAD(Rho)y -0.1862117E-16 GRAD(Rho)z 0.8805755E-16 Laplacian 0.5169867E+00 (-1/4)Del**2(Rho)) -0.1292467E+00 Diamond 0.8534547E+00 Metallicity 0.4089157E+01 Ellipticity 0.3038544E-01 Gb(Abramov) 0.1742494E+00 Vb(Abramov) -0.2192522E+00 Hb(Abramov) -0.4500276E-01 Ex_ueg -0.4548327E-01 Ec_ueg -0.6777076E-02 Delta_ex -0.5327101E-01 Delta_ec 0.1427467E-01 Delta_et -0.1853289E+00 Pxc 0.6711341E+01 Qxc -0.3731856E+01 3,-1 94 3 +1 -1.389539 1.082603 2.211258 Rho 0.2521471E-01 |GRAD(Rho)| 0.6162256E-16 GRAD(Rho)x -0.4228008E-17 GRAD(Rho)y -0.1906887E-16 GRAD(Rho)z -0.5844521E-16 Laplacian 0.9531980E-01 (-1/4)Del**2(Rho)) -0.2382995E-01 Diamond 0.1200461E-01 Metallicity 0.1567424E+01 Ellipticity -0.3284649E+01 Gb(Abramov) 0.2211191E-01 Vb(Abramov) -0.2039387E-01 Hb(Abramov) 0.1718042E-02 Ex_ueg -0.5460809E-02 Ec_ueg -0.1099530E-02 Delta_ex -0.5876459E-02 Delta_ec 0.1500602E-02 Delta_et -0.1330021E-01 Pxc 0.4966492E+01 Qxc -0.3916068E+01 3,+1 95 3 -1 -1.747704 0.530611 1.747984 Rho 0.4171695E-01 |GRAD(Rho)| 0.4539096E-12 GRAD(Rho)x 0.3068494E-12 GRAD(Rho)y 0.1490101E-12 GRAD(Rho)z -0.2994550E-12 Laplacian 0.1749698E+00 (-1/4)Del**2(Rho)) -0.4374246E-01 Diamond 0.7438172E-01 Metallicity 0.1976230E+01 Ellipticity 0.1528581E-01 Gb(Abramov) 0.4356917E-01 Vb(Abramov) -0.4339588E-01 Hb(Abramov) 0.1732925E-03 Ex_ueg -0.1068567E-01 Ec_ueg -0.1962412E-02 Delta_ex -0.1404107E-01 Delta_ec 0.5714281E-02 Delta_et -0.5750644E-01 Pxc 0.5445172E+01 Qxc -0.2457189E+01 3,-1 96 3 -1 -2.010490 0.884181 3.049567 Rho 0.1129434E+00 |GRAD(Rho)| 0.1753652E-13 GRAD(Rho)x 0.1246357E-13 GRAD(Rho)y -0.3181469E-14 GRAD(Rho)z 0.1191920E-13 Laplacian 0.4636381E+00 (-1/4)Del**2(Rho)) -0.1159095E+00 Diamond 0.6855648E+00 Metallicity 0.3922252E+01 Ellipticity 0.2206371E-01 Gb(Abramov) 0.1530441E+00 Vb(Abramov) -0.1901787E+00 Hb(Abramov) -0.3713456E-01 Ex_ueg -0.4032115E-01 Ec_ueg -0.6115577E-02 Delta_ex -0.4675175E-01 Delta_ec 0.1304272E-01 Delta_et -0.1665150E+00 Pxc 0.6593188E+01 Qxc -0.3584510E+01 3,-1 97 3 +1 -0.017014 -2.270850 -0.968205 Rho 0.5724120E-02 |GRAD(Rho)| 0.1207867E-16 GRAD(Rho)x -0.8838295E-17 GRAD(Rho)y 0.8144989E-17 GRAD(Rho)z -0.1199129E-17 Laplacian 0.2208879E-01 (-1/4)Del**2(Rho)) -0.5522198E-02 Diamond 0.6335275E-03 Metallicity 0.5714204E+00 Ellipticity -0.5540021E+01 Gb(Abramov) 0.4207381E-02 Vb(Abramov) -0.2892565E-02 Hb(Abramov) 0.1314817E-02 Ex_ueg -0.7562464E-03 Ec_ueg -0.1782065E-03 Delta_ex -0.1139706E-02 Delta_ec 0.7172315E-03 Delta_et -0.4047797E-02 Pxc 0.4243652E+01 Qxc -0.1589036E+01 3,+1 98 3 +1 0.125311 -3.134079 0.189257 Rho 0.5441253E-02 |GRAD(Rho)| 0.6607079E-17 GRAD(Rho)x -0.5944904E-17 GRAD(Rho)y 0.9456948E-18 GRAD(Rho)z 0.2723467E-17 Laplacian 0.2156102E-01 (-1/4)Del**2(Rho)) -0.5390256E-02 Diamond 0.5727063E-03 Metallicity 0.5379914E+00 Ellipticity -0.4742768E+01 Gb(Abramov) 0.4076823E-02 Vb(Abramov) -0.2763389E-02 Hb(Abramov) 0.1313433E-02 Ex_ueg -0.7068333E-03 Ec_ueg -0.1659509E-03 Delta_ex -0.1097493E-02 Delta_ec 0.6927812E-03 Delta_et -0.3853539E-02 Pxc 0.4259292E+01 Qxc -0.1584184E+01 3,+1 99 3 -1 -1.972320 -0.813612 -3.198470 Rho 0.1141059E+00 |GRAD(Rho)| 0.4607014E-15 GRAD(Rho)x 0.1838333E-15 GRAD(Rho)y -0.2570643E-15 GRAD(Rho)z -0.3352150E-15 Laplacian 0.4421638E+00 (-1/4)Del**2(Rho)) -0.1105410E+00 Diamond 0.6739801E+00 Metallicity 0.4183537E+01 Ellipticity 0.8723638E-01 Gb(Abramov) 0.1507693E+00 Vb(Abramov) -0.1909977E+00 Hb(Abramov) -0.4022837E-01 Ex_ueg -0.4087546E-01 Ec_ueg -0.6187190E-02 Delta_ex -0.4486668E-01 Delta_ec 0.1271876E-01 Delta_et -0.1631454E+00 Pxc 0.6606466E+01 Qxc -0.3527598E+01 3,-1 100 3 +1 0.105564 0.046348 -3.087941 Rho 0.4886656E-02 |GRAD(Rho)| 0.1422856E-13 GRAD(Rho)x -0.5262695E-16 GRAD(Rho)y 0.1323607E-13 GRAD(Rho)z 0.5220694E-14 Laplacian 0.1869981E-01 (-1/4)Del**2(Rho)) -0.4674953E-02 Diamond 0.4290524E-03 Metallicity 0.5185558E+00 Ellipticity -0.4571414E+01 Gb(Abramov) 0.3520673E-02 Vb(Abramov) -0.2366392E-02 Hb(Abramov) 0.1154280E-02 Ex_ueg -0.6124454E-03 Ec_ueg -0.1420384E-03 Delta_ex -0.9315820E-03 Delta_ec 0.5994529E-03 Delta_et -0.3228886E-02 Pxc 0.4311830E+01 Qxc -0.1554054E+01 3,+1 101 3 +3 -0.034824 -0.172401 -2.377541 Rho 0.3728197E-02 |GRAD(Rho)| 0.1228599E-15 GRAD(Rho)x -0.4472851E-16 GRAD(Rho)y -0.3775829E-16 GRAD(Rho)z 0.1080196E-15 Laplacian 0.1475626E-01 (-1/4)Del**2(Rho)) -0.3689064E-02 Diamond 0.9080277E-04 Metallicity 0.4186025E+00 Ellipticity -0.3838873E+00 Gb(Abramov) 0.2716751E-02 Vb(Abramov) -0.1744438E-02 Hb(Abramov) 0.9723127E-03 Ex_ueg -0.4269564E-03 Ec_ueg -0.9259933E-04 Delta_ex -0.5002348E-03 Delta_ec 0.1184345E-03 Delta_et -0.7318492E-03 Pxc 0.4610794E+01 Qxc -0.4223727E+01 3,+3 102 3 +1 0.575835 1.675963 0.505413 Rho 0.7399468E-02 |GRAD(Rho)| 0.7138841E-17 GRAD(Rho)x 0.6163782E-17 GRAD(Rho)y -0.2731615E-18 GRAD(Rho)z -0.3591133E-17 Laplacian 0.2847967E-01 (-1/4)Del**2(Rho)) -0.7119918E-02 Diamond 0.6322254E-03 Metallicity 0.6798488E+00 Ellipticity -0.1419914E+01 Gb(Abramov) 0.5553357E-02 Vb(Abramov) -0.3986795E-02 Hb(Abramov) 0.1566561E-02 Ex_ueg -0.1064925E-02 Ec_ueg -0.2515895E-03 Delta_ex -0.1258942E-02 Delta_ec 0.4117175E-03 Delta_et -0.2697566E-02 Pxc 0.4232788E+01 Qxc -0.3057781E+01 3,+1 103 3 +1 0.130853 -0.136770 3.075424 Rho 0.5403054E-02 |GRAD(Rho)| 0.8320791E-17 GRAD(Rho)x 0.4454760E-17 GRAD(Rho)y 0.6884326E-17 GRAD(Rho)z 0.1413058E-17 Laplacian 0.2135092E-01 (-1/4)Del**2(Rho)) -0.5337729E-02 Diamond 0.5476942E-03 Metallicity 0.5369438E+00 Ellipticity -0.4032346E+01 Gb(Abramov) 0.4036163E-02 Vb(Abramov) -0.2734597E-02 Hb(Abramov) 0.1301566E-02 Ex_ueg -0.7002248E-03 Ec_ueg -0.1642989E-03 Delta_ex -0.1073521E-02 Delta_ec 0.6649746E-03 Delta_et -0.3699312E-02 Pxc 0.4261896E+01 Qxc -0.1614379E+01 3,+1 104 3 +1 1.717054 0.528460 0.575194 Rho 0.6727656E-02 |GRAD(Rho)| 0.9337427E-17 GRAD(Rho)x -0.1094471E-17 GRAD(Rho)y 0.2382123E-17 GRAD(Rho)z -0.8961873E-17 Laplacian 0.2481644E-01 (-1/4)Del**2(Rho)) -0.6204109E-02 Diamond 0.4784707E-03 Metallicity 0.6657534E+00 Ellipticity -0.1416440E+01 Gb(Abramov) 0.4824474E-02 Vb(Abramov) -0.3444839E-02 Hb(Abramov) 0.1379635E-02 Ex_ueg -0.9380013E-03 Ec_ueg -0.2220021E-03 Delta_ex -0.1067989E-02 Delta_ec 0.3525041E-03 Delta_et -0.2257966E-02 Pxc 0.4225191E+01 Qxc -0.3029719E+01 3,+1 105 3 +1 0.552476 0.478894 1.720872 Rho 0.7407676E-02 |GRAD(Rho)| 0.5189945E-13 GRAD(Rho)x 0.1153392E-13 GRAD(Rho)y 0.3478011E-13 GRAD(Rho)z 0.3675412E-13 Laplacian 0.2852939E-01 (-1/4)Del**2(Rho)) -0.7132349E-02 Diamond 0.6275580E-03 Metallicity 0.6799190E+00 Ellipticity -0.1408432E+01 Gb(Abramov) 0.5563136E-02 Vb(Abramov) -0.3993923E-02 Hb(Abramov) 0.1569213E-02 Ex_ueg -0.1066500E-02 Ec_ueg -0.2519523E-03 Delta_ex -0.1257789E-02 Delta_ec 0.4058337E-03 Delta_et -0.2665224E-02 Pxc 0.4232946E+01 Qxc -0.3099273E+01 3,+1 106 3 +3 -0.056990 -2.386067 -0.121743 Rho 0.3837310E-02 |GRAD(Rho)| 0.3318651E-14 GRAD(Rho)x 0.7870987E-15 GRAD(Rho)y 0.3048111E-14 GRAD(Rho)z 0.1050209E-14 Laplacian 0.1542200E-01 (-1/4)Del**2(Rho)) -0.3855501E-02 Diamond 0.9585697E-04 Metallicity 0.4202591E+00 Ellipticity -0.4117409E+00 Gb(Abramov) 0.2840385E-02 Vb(Abramov) -0.1825270E-02 Hb(Abramov) 0.1015115E-02 Ex_ueg -0.4436980E-03 Ec_ueg -0.9722583E-04 Delta_ex -0.5229435E-03 Delta_ec 0.1171079E-03 Delta_et -0.7393643E-03 Pxc 0.4563582E+01 Qxc -0.4465484E+01 3,+3 107 3 +3 0.009644 -0.026141 2.339560 Rho 0.4214080E-02 |GRAD(Rho)| 0.3933676E-12 GRAD(Rho)x -0.4007904E-13 GRAD(Rho)y -0.3873510E-12 GRAD(Rho)z -0.5559639E-13 Laplacian 0.1700297E-01 (-1/4)Del**2(Rho)) -0.4250742E-02 Diamond 0.1210827E-03 Metallicity 0.4455806E+00 Ellipticity -0.2765687E+00 Gb(Abramov) 0.3149503E-02 Vb(Abramov) -0.2048264E-02 Hb(Abramov) 0.1101239E-02 Ex_ueg -0.5027152E-03 Ec_ueg -0.1132498E-03 Delta_ex -0.5919722E-03 Delta_ec 0.1313444E-03 Delta_et -0.8434022E-03 Pxc 0.4438994E+01 Qxc -0.4507025E+01 3,+3 108 3 +3 1.145265 1.074409 1.115499 Rho 0.4275732E-02 |GRAD(Rho)| 0.4029251E-17 GRAD(Rho)x -0.1539275E-17 GRAD(Rho)y -0.3331070E-17 GRAD(Rho)z -0.1664172E-17 Laplacian 0.1603719E-01 (-1/4)Del**2(Rho)) -0.4009298E-02 Diamond 0.9490459E-04 Metallicity 0.4839891E+00 Ellipticity -0.9892960E-01 Gb(Abramov) 0.2996275E-02 Vb(Abramov) -0.1983252E-02 Hb(Abramov) 0.1013023E-02 Ex_ueg -0.5125454E-03 Ec_ueg -0.1158790E-03 Delta_ex -0.5357767E-03 Delta_ec 0.7981518E-04 Delta_et -0.5878857E-03 Pxc 0.4423109E+01 Qxc -0.6712717E+01 3,+3 109 3 -1 0.067880 -2.192477 -0.941102 Rho 0.5730012E-02 |GRAD(Rho)| 0.2080461E-14 GRAD(Rho)x -0.9234624E-15 GRAD(Rho)y -0.1857970E-14 GRAD(Rho)z 0.1532335E-15 Laplacian 0.2201738E-01 (-1/4)Del**2(Rho)) -0.5504345E-02 Diamond 0.6976329E-03 Metallicity 0.5742576E+00 Ellipticity 0.4772441E+01 Gb(Abramov) 0.4196382E-02 Vb(Abramov) -0.2888419E-02 Hb(Abramov) 0.1307963E-02 Ex_ueg -0.7572845E-03 Ec_ueg -0.1784622E-03 Delta_ex -0.1186794E-02 Delta_ec 0.8051548E-03 Delta_et -0.4510644E-02 Pxc 0.4243389E+01 Qxc -0.1473994E+01 3,-1 110 3 -1 0.105477 -1.291589 -3.355785 Rho 0.2956719E-01 |GRAD(Rho)| 0.5332975E-16 GRAD(Rho)x -0.5311944E-16 GRAD(Rho)y -0.3233534E-17 GRAD(Rho)z -0.3454281E-17 Laplacian 0.9487937E-01 (-1/4)Del**2(Rho)) -0.2371984E-01 Diamond 0.3573587E-01 Metallicity 0.2053327E+01 Ellipticity 0.3838920E-02 Gb(Abramov) 0.2393066E-01 Vb(Abramov) -0.2414148E-01 Hb(Abramov) -0.2108192E-03 Ex_ueg -0.6752509E-02 Ec_ueg -0.1321304E-02 Delta_ex -0.7918300E-02 Delta_ec 0.4726230E-02 Delta_et -0.4312403E-01 Pxc 0.5110488E+01 Qxc -0.1675395E+01 3,-1 111 3 -1 1.747576 -0.565035 1.765211 Rho 0.3667065E-01 |GRAD(Rho)| 0.1015909E-14 GRAD(Rho)x -0.6609762E-15 GRAD(Rho)y -0.7617242E-15 GRAD(Rho)z 0.1223048E-15 Laplacian 0.1534526E+00 (-1/4)Del**2(Rho)) -0.3836316E-01 Diamond 0.5478099E-01 Metallicity 0.1817621E+01 Ellipticity 0.2606027E-01 Gb(Abramov) 0.3719705E-01 Vb(Abramov) -0.3603094E-01 Hb(Abramov) 0.1166107E-02 Ex_ueg -0.8997944E-02 Ec_ueg -0.1692549E-02 Delta_ex -0.1193711E-01 Delta_ec 0.5018042E-02 Delta_et -0.4873547E-01 Pxc 0.5316209E+01 Qxc -0.2378839E+01 3,-1 112 3 +1 1.627897 -2.006041 -1.888055 Rho 0.7054606E-02 |GRAD(Rho)| 0.1452538E-16 GRAD(Rho)x -0.3772179E-17 GRAD(Rho)y 0.7590187E-17 GRAD(Rho)z -0.1179604E-16 Laplacian 0.3106639E-01 (-1/4)Del**2(Rho)) -0.7766597E-02 Diamond 0.9185036E-03 Metallicity 0.5755861E+00 Ellipticity -0.1720516E+01 Gb(Abramov) 0.5922789E-02 Vb(Abramov) -0.4078981E-02 Hb(Abramov) 0.1843808E-02 Ex_ueg -0.9992682E-03 Ec_ueg -0.2363749E-03 Delta_ex -0.1516843E-02 Delta_ec 0.7342493E-03 Delta_et -0.4513572E-02 Pxc 0.4227472E+01 Qxc -0.2065842E+01 3,+1 113 3 -1 -0.744949 -1.393363 -3.498644 Rho 0.3216474E+00 |GRAD(Rho)| 0.8937301E-15 GRAD(Rho)x -0.4962110E-15 GRAD(Rho)y -0.6051980E-15 GRAD(Rho)z 0.4315826E-15 Laplacian -0.1620791E+01 (-1/4)Del**2(Rho)) 0.4051978E+00 Diamond 0.5640265E+01 Metallicity -0.6419769E+01 Ellipticity 0.1632102E-02 Gb(Abramov) 0.1634142E+00 Vb(Abramov) -0.7320261E+00 Hb(Abramov) -0.5686120E+00 Ex_ueg -0.1627640E+00 Ec_ueg -0.2026622E-01 Delta_ex 0.1619419E+00 Delta_ec 0.5616732E-01 Delta_et -0.1337496E+01 Pxc 0.8031297E+01 Qxc 0.2883205E+01 3,-1 114 3 +1 -0.176074 0.154943 3.069554 Rho 0.5374491E-02 |GRAD(Rho)| 0.1589099E-16 GRAD(Rho)x -0.9841041E-17 GRAD(Rho)y -0.1245204E-16 GRAD(Rho)z 0.7901751E-18 Laplacian 0.2135750E-01 (-1/4)Del**2(Rho)) -0.5339376E-02 Diamond 0.5190944E-03 Metallicity 0.5320571E+00 Ellipticity -0.2843052E+01 Gb(Abramov) 0.4033060E-02 Vb(Abramov) -0.2726743E-02 Hb(Abramov) 0.1306317E-02 Ex_ueg -0.6952935E-03 Ec_ueg -0.1630641E-03 Delta_ex -0.1051759E-02 Delta_ec 0.6277238E-03 Delta_et -0.3501722E-02 Pxc 0.4263927E+01 Qxc -0.1675513E+01 3,+1 115 3 -1 -0.838461 2.029832 3.048965 Rho 0.1400817E+00 |GRAD(Rho)| 0.2138268E-15 GRAD(Rho)x -0.1273395E-15 GRAD(Rho)y 0.1141394E-15 GRAD(Rho)z 0.1283695E-15 Laplacian 0.5441130E+00 (-1/4)Del**2(Rho)) -0.1360283E+00 Diamond 0.1012112E+01 Metallicity 0.4785123E+01 Ellipticity 0.2246028E-01 Gb(Abramov) 0.1991708E+00 Vb(Abramov) -0.2623134E+00 Hb(Abramov) -0.6314257E-01 Ex_ueg -0.5373125E-01 Ec_ueg -0.7811656E-02 Delta_ex -0.5742389E-01 Delta_ec 0.1397054E-01 Delta_et -0.1839969E+00 Pxc 0.6878344E+01 Qxc -0.4110357E+01 3,-1 116 3 -1 0.012266 -0.024255 3.070662 Rho 0.5414795E-02 |GRAD(Rho)| 0.9411233E-17 GRAD(Rho)x -0.7233979E-17 GRAD(Rho)y -0.5954270E-17 GRAD(Rho)z -0.8874212E-18 Laplacian 0.2106664E-01 (-1/4)Del**2(Rho)) -0.5266659E-02 Diamond 0.6114401E-03 Metallicity 0.5461619E+00 Ellipticity 0.4227837E+01 Gb(Abramov) 0.3990514E-02 Vb(Abramov) -0.2714369E-02 Hb(Abramov) 0.1276145E-02 Ex_ueg -0.7022544E-03 Ec_ueg -0.1648066E-03 Delta_ex -0.1117673E-02 Delta_ec 0.7596643E-03 Delta_et -0.4186908E-02 Pxc 0.4261082E+01 Qxc -0.1471272E+01 3,-1 117 3 +3 1.980071 1.931441 -1.906244 Rho 0.1132661E-01 |GRAD(Rho)| 0.4230897E-17 GRAD(Rho)x 0.2084603E-17 GRAD(Rho)y 0.3411226E-17 GRAD(Rho)z -0.1385086E-17 Laplacian 0.4749919E-01 (-1/4)Del**2(Rho)) -0.1187480E-01 Diamond 0.9582184E-03 Metallicity 0.8287566E+00 Ellipticity -0.7933798E+00 Gb(Abramov) 0.9556752E-02 Vb(Abramov) -0.7238705E-02 Hb(Abramov) 0.2318047E-02 Ex_ueg -0.1878675E-02 Ec_ueg -0.4285730E-03 Delta_ex -0.2049823E-02 Delta_ec 0.1706261E-03 Delta_et -0.1614282E-02 Pxc 0.4383560E+01 Qxc -0.1201354E+02 3,+3 118 3 +3 0.029153 2.337286 -0.034155 Rho 0.3969251E-02 |GRAD(Rho)| 0.1091715E-16 GRAD(Rho)x -0.3676116E-17 GRAD(Rho)y -0.1022561E-16 GRAD(Rho)z 0.1052273E-17 Laplacian 0.1570412E-01 (-1/4)Del**2(Rho)) -0.3926030E-02 Diamond 0.1055156E-03 Metallicity 0.4366303E+00 Ellipticity -0.2411435E+00 Gb(Abramov) 0.2903058E-02 Vb(Abramov) -0.1880085E-02 Hb(Abramov) 0.1022973E-02 Ex_ueg -0.4641552E-03 Ec_ueg -0.1028288E-03 Delta_ex -0.5413836E-03 Delta_ec 0.1267463E-03 Delta_et -0.7936436E-03 Pxc 0.4513865E+01 Qxc -0.4271396E+01 3,+3 119 3 -1 -0.540562 -0.522425 -0.488557 Rho 0.1884006E+00 |GRAD(Rho)| 0.3681703E-15 GRAD(Rho)x -0.3434752E-15 GRAD(Rho)y -0.1387779E-16 GRAD(Rho)z -0.1318390E-15 Laplacian 0.5049521E+00 (-1/4)Del**2(Rho)) -0.1262380E+00 Diamond 0.1351564E+01 Metallicity 0.8449550E+01 Ellipticity 0.2180707E-01 Gb(Abramov) 0.2619344E+00 Vb(Abramov) -0.3976308E+00 Hb(Abramov) -0.1356964E+00 Ex_ueg -0.7976790E-01 Ec_ueg -0.1094556E-01 Delta_ex -0.5744477E-01 Delta_ec 0.1216093E-01 Delta_et -0.1665576E+00 Pxc 0.7287697E+01 Qxc -0.4723714E+01 3,-1 120 3 -1 0.440417 -0.532072 0.457049 Rho 0.1748948E+00 |GRAD(Rho)| 0.8274755E-14 GRAD(Rho)x -0.4784367E-14 GRAD(Rho)y 0.4770490E-14 GRAD(Rho)z -0.4777428E-14 Laplacian 0.4423912E+00 (-1/4)Del**2(Rho)) -0.1105978E+00 Diamond 0.1102746E+01 Metallicity 0.8519905E+01 Ellipticity 0.4815692E-02 Gb(Abramov) 0.2307790E+00 Vb(Abramov) -0.3509602E+00 Hb(Abramov) -0.1201812E+00 Ex_ueg -0.7223608E-01 Ec_ueg -0.1005575E-01 Delta_ex -0.4955536E-01 Delta_ec 0.1115238E-01 Delta_et -0.1523705E+00 Pxc 0.7183557E+01 Qxc -0.4443480E+01 3,-1 121 3 +1 0.532704 -1.723635 -1.616284 Rho 0.3308691E-02 |GRAD(Rho)| 0.2772524E-15 GRAD(Rho)x 0.1791185E-15 GRAD(Rho)y -0.2114101E-15 GRAD(Rho)z 0.9552019E-17 Laplacian 0.1246557E-01 (-1/4)Del**2(Rho)) -0.3116393E-02 Diamond 0.9206892E-04 Metallicity 0.4061264E+00 Ellipticity -0.1160119E+01 Gb(Abramov) 0.2288537E-02 Vb(Abramov) -0.1460681E-02 Hb(Abramov) 0.8278559E-03 Ex_ueg -0.3641329E-03 Ec_ueg -0.7487110E-04 Delta_ex -0.4531172E-03 Delta_ec 0.1771329E-03 Delta_et -0.9386754E-03 Pxc 0.4863464E+01 Qxc -0.2558063E+01 3,+1 122 3 -1 1.345374 -2.186340 -2.062549 Rho 0.7468413E-02 |GRAD(Rho)| 0.2899834E-17 GRAD(Rho)x 0.1678501E-17 GRAD(Rho)y -0.2199283E-17 GRAD(Rho)z 0.8688053E-18 Laplacian 0.2864163E-01 (-1/4)Del**2(Rho)) -0.7160407E-02 Diamond 0.1454602E-02 Metallicity 0.6865350E+00 Ellipticity 0.3551404E+00 Gb(Abramov) 0.5592916E-02 Vb(Abramov) -0.4025426E-02 Hb(Abramov) 0.1567491E-02 Ex_ueg -0.1078176E-02 Ec_ueg -0.2546379E-03 Delta_ex -0.1709917E-02 Delta_ec 0.1201236E-02 Delta_et -0.7242500E-02 Pxc 0.4234153E+01 Qxc -0.1423464E+01 3,-1 123 3 -1 -0.550301 1.847988 -2.824876 Rho 0.1303764E+00 |GRAD(Rho)| 0.1685550E-11 GRAD(Rho)x -0.1091069E-11 GRAD(Rho)y -0.1211315E-11 GRAD(Rho)z -0.4282087E-12 Laplacian 0.5532335E+00 (-1/4)Del**2(Rho)) -0.1383084E+00 Diamond 0.9662992E+00 Metallicity 0.4175447E+01 Ellipticity 0.8591313E-02 Gb(Abramov) 0.1884555E+00 Vb(Abramov) -0.2386026E+00 Hb(Abramov) -0.5014710E-01 Ex_ueg -0.4882591E-01 Ec_ueg -0.7199421E-02 Delta_ex -0.5764554E-01 Delta_ec 0.1493104E-01 Delta_et -0.1953664E+00 Pxc 0.6781922E+01 Qxc -0.3860785E+01 3,-1 124 3 -1 -0.516840 1.741559 1.753960 Rho 0.4373125E-01 |GRAD(Rho)| 0.5817322E-14 GRAD(Rho)x -0.4519495E-14 GRAD(Rho)y -0.1254314E-14 GRAD(Rho)z -0.3441234E-14 Laplacian 0.1729330E+00 (-1/4)Del**2(Rho)) -0.4323325E-01 Diamond 0.7228674E-01 Metallicity 0.2162993E+01 Ellipticity 0.1593836E-01 Gb(Abramov) 0.4440770E-01 Vb(Abramov) -0.4558215E-01 Hb(Abramov) -0.1174452E-02 Ex_ueg -0.1137909E-01 Ec_ueg -0.2071409E-02 Delta_ex -0.1372440E-01 Delta_ec 0.5085802E-02 Delta_et -0.5175397E-01 Pxc 0.5493407E+01 Qxc -0.2698572E+01 3,-1 125 3 -1 0.114458 -1.023985 -2.096550 Rho 0.5963663E-02 |GRAD(Rho)| 0.2649210E-13 GRAD(Rho)x -0.2094403E-13 GRAD(Rho)y -0.7523661E-14 GRAD(Rho)z 0.1437268E-13 Laplacian 0.2283818E-01 (-1/4)Del**2(Rho)) -0.5709546E-02 Diamond 0.7862834E-03 Metallicity 0.5917524E+00 Ellipticity 0.2184018E+01 Gb(Abramov) 0.4369470E-02 Vb(Abramov) -0.3029394E-02 Hb(Abramov) 0.1340076E-02 Ex_ueg -0.7987346E-03 Ec_ueg -0.1886160E-03 Delta_ex -0.1256942E-02 Delta_ec 0.8649241E-03 Delta_et -0.4894558E-02 Pxc 0.4234713E+01 Qxc -0.1453240E+01 3,-1 126 3 -1 -0.567480 2.875231 -1.828195 Rho 0.1293620E+00 |GRAD(Rho)| 0.4061273E-09 GRAD(Rho)x -0.2700224E-09 GRAD(Rho)y 0.1076733E-09 GRAD(Rho)z 0.2836084E-09 Laplacian 0.5394718E+00 (-1/4)Del**2(Rho)) -0.1348680E+00 Diamond 0.9385592E+00 Metallicity 0.4226577E+01 Ellipticity 0.1778459E-01 Gb(Abramov) 0.1849170E+00 Vb(Abramov) -0.2349659E+00 Hb(Abramov) -0.5004899E-01 Ex_ueg -0.4832004E-01 Ec_ueg -0.7135785E-02 Delta_ex -0.5616840E-01 Delta_ec 0.1469696E-01 Delta_et -0.1922499E+00 Pxc 0.6771510E+01 Qxc -0.3821770E+01 3,-1 127 3 -1 -0.840746 3.030695 2.044199 Rho 0.1449436E+00 |GRAD(Rho)| 0.1483582E-15 GRAD(Rho)x -0.9292968E-16 GRAD(Rho)y -0.1078510E-15 GRAD(Rho)z 0.4174178E-16 Laplacian 0.5648964E+00 (-1/4)Del**2(Rho)) -0.1412241E+00 Diamond 0.1093159E+01 Metallicity 0.4878758E+01 Ellipticity 0.3037147E-01 Gb(Abramov) 0.2089824E+00 Vb(Abramov) -0.2767408E+00 Hb(Abramov) -0.6775833E-01 Ex_ueg -0.5623202E-01 Ec_ueg -0.8120619E-02 Delta_ex -0.6010007E-01 Delta_ec 0.1435398E-01 Delta_et -0.1899304E+00 Pxc 0.6924597E+01 Qxc -0.4186998E+01 3,-1 128 3 -1 -0.557152 -2.814380 1.901493 Rho 0.1627341E+00 |GRAD(Rho)| 0.1273729E-13 GRAD(Rho)x -0.1214816E-13 GRAD(Rho)y 0.3696066E-14 GRAD(Rho)z 0.9999055E-15 Laplacian 0.6725184E+00 (-1/4)Del**2(Rho)) -0.1681296E+00 Diamond 0.1485399E+01 Metallicity 0.4970195E+01 Ellipticity 0.1934949E-01 Gb(Abramov) 0.2513592E+00 Vb(Abramov) -0.3345888E+00 Hb(Abramov) -0.8322962E-01 Ex_ueg -0.6561804E-01 Ec_ueg -0.9263604E-02 Delta_ex -0.7353421E-01 Delta_ec 0.1643688E-01 Delta_et -0.2204453E+00 Pxc 0.7083425E+01 Qxc -0.4473732E+01 3,-1 129 3 -1 -0.075174 -3.245344 3.290972 Rho 0.2199386E+00 |GRAD(Rho)| 0.4739782E-15 GRAD(Rho)x -0.1531436E-16 GRAD(Rho)y 0.2640032E-15 GRAD(Rho)z -0.3933485E-15 Laplacian 0.8121791E+00 (-1/4)Del**2(Rho)) -0.2030448E+00 Diamond 0.2591434E+01 Metallicity 0.6799291E+01 Ellipticity 0.3546317E-02 Gb(Abramov) 0.3654566E+00 Vb(Abramov) -0.5278685E+00 Hb(Abramov) -0.1624118E+00 Ex_ueg -0.9805135E-01 Ec_ueg -0.1306336E-01 Delta_ex -0.9595896E-01 Delta_ec 0.1846003E-01 Delta_et -0.2549172E+00 Pxc 0.7505830E+01 Qxc -0.5198202E+01 3,-1 130 3 -1 -0.562443 -1.836078 2.882134 Rho 0.1552947E+00 |GRAD(Rho)| 0.6510994E-15 GRAD(Rho)x 0.1546885E-15 GRAD(Rho)y -0.6317917E-15 GRAD(Rho)z 0.2900241E-16 Laplacian 0.6277920E+00 (-1/4)Del**2(Rho)) -0.1569480E+00 Diamond 0.1319886E+01 Metallicity 0.4924834E+01 Ellipticity 0.1409709E-01 Gb(Abramov) 0.2334558E+00 Vb(Abramov) -0.3099636E+00 Hb(Abramov) -0.7650782E-01 Ex_ueg -0.6164916E-01 Ec_ueg -0.8783306E-02 Delta_ex -0.6793620E-01 Delta_ec 0.1568148E-01 Delta_et -0.2094733E+00 Pxc 0.7018901E+01 Qxc -0.4332256E+01 3,-1 131 3 +1 1.658330 -0.581396 -0.524813 Rho 0.8527368E-02 |GRAD(Rho)| 0.6549698E-12 GRAD(Rho)x 0.7759151E-13 GRAD(Rho)y -0.4906526E-12 GRAD(Rho)z 0.4268783E-12 Laplacian 0.3376136E-01 (-1/4)Del**2(Rho)) -0.8440341E-02 Diamond 0.9041834E-03 Metallicity 0.7264708E+00 Ellipticity -0.1439354E+01 Gb(Abramov) 0.6648838E-02 Vb(Abramov) -0.4857334E-02 Hb(Abramov) 0.1791503E-02 Ex_ueg -0.1286683E-02 Ec_ueg -0.3017315E-03 Delta_ex -0.1544088E-02 Delta_ec 0.4840832E-03 Delta_et -0.3294142E-02 Pxc 0.4264332E+01 Qxc -0.3189717E+01 3,+1 132 3 +1 0.106221 3.041427 -0.087775 Rho 0.4908941E-02 |GRAD(Rho)| 0.2886788E-17 GRAD(Rho)x -0.2104580E-17 GRAD(Rho)y 0.4107856E-18 GRAD(Rho)z -0.1932755E-17 Laplacian 0.1874877E-01 (-1/4)Del**2(Rho)) -0.4687194E-02 Diamond 0.4281731E-03 Metallicity 0.5211387E+00 Ellipticity -0.4744220E+01 Gb(Abramov) 0.3531909E-02 Vb(Abramov) -0.2376624E-02 Hb(Abramov) 0.1155285E-02 Ex_ueg -0.6161723E-03 Ec_ueg -0.1429963E-03 Delta_ex -0.9304170E-03 Delta_ec 0.5931370E-03 Delta_et -0.3202382E-02 Pxc 0.4309009E+01 Qxc -0.1568638E+01 3,+1 133 3 -1 -0.010022 3.261785 -3.261024 Rho 0.1951499E+00 |GRAD(Rho)| 0.4144972E-15 GRAD(Rho)x -0.1008308E-16 GRAD(Rho)y 0.4073348E-15 GRAD(Rho)z -0.7605678E-16 Laplacian 0.7403401E+00 (-1/4)Del**2(Rho)) -0.1850850E+00 Diamond 0.2052827E+01 Metallicity 0.6111235E+01 Ellipticity 0.3792584E-02 Gb(Abramov) 0.3119064E+00 Vb(Abramov) -0.4387277E+00 Hb(Abramov) -0.1268213E+00 Ex_ueg -0.8360060E-01 Ec_ueg -0.1139410E-01 Delta_ex -0.8487694E-01 Delta_ec 0.1748243E-01 Delta_et -0.2396418E+00 Pxc 0.7337182E+01 Qxc -0.4854984E+01 3,-1 134 3 +3 0.842212 -1.459545 -1.361651 Rho 0.3155492E-02 |GRAD(Rho)| 0.8751041E-17 GRAD(Rho)x -0.4099149E-17 GRAD(Rho)y 0.7707221E-17 GRAD(Rho)z 0.6135564E-18 Laplacian 0.1234579E-01 (-1/4)Del**2(Rho)) -0.3086448E-02 Diamond 0.6401016E-04 Metallicity 0.3789128E+00 Ellipticity -0.7666071E+00 Gb(Abramov) 0.2252548E-02 Vb(Abramov) -0.1418648E-02 Hb(Abramov) 0.8339002E-03 Ex_ueg -0.3418281E-03 Ec_ueg -0.6842069E-04 Delta_ex -0.4069977E-03 Delta_ec 0.1094855E-03 Delta_et -0.6333873E-03 Pxc 0.4995977E+01 Qxc -0.3717367E+01 3,+3 135 3 +1 0.341439 -1.942635 -0.687693 Rho 0.5529364E-02 |GRAD(Rho)| 0.1754882E-16 GRAD(Rho)x -0.1452055E-16 GRAD(Rho)y -0.8660107E-17 GRAD(Rho)z -0.4702910E-17 Laplacian 0.2142132E-01 (-1/4)Del**2(Rho)) -0.5355330E-02 Diamond 0.5005808E-03 Metallicity 0.5561932E+00 Ellipticity -0.2239011E+01 Gb(Abramov) 0.4066653E-02 Vb(Abramov) -0.2777976E-02 Hb(Abramov) 0.1288677E-02 Ex_ueg -0.7221354E-03 Ec_ueg -0.1697642E-03 Delta_ex -0.1028149E-02 Delta_ec 0.5710978E-03 Delta_et -0.3237908E-02 Pxc 0.4253757E+01 Qxc -0.1800303E+01 3,+1 136 3 +1 3.023492 0.039776 0.030667 Rho 0.4669159E-02 |GRAD(Rho)| 0.4031733E-17 GRAD(Rho)x -0.4639109E-18 GRAD(Rho)y 0.3966085E-17 GRAD(Rho)z 0.5566251E-18 Laplacian 0.1803395E-01 (-1/4)Del**2(Rho)) -0.4508489E-02 Diamond 0.3969754E-03 Metallicity 0.4984099E+00 Ellipticity -0.5573427E+01 Gb(Abramov) 0.3380172E-02 Vb(Abramov) -0.2251855E-02 Hb(Abramov) 0.1128317E-02 Ex_ueg -0.5763725E-03 Ec_ueg -0.1327033E-03 Delta_ex -0.8985483E-03 Delta_ec 0.5921953E-03 Delta_et -0.3140726E-02 Pxc 0.4343319E+01 Qxc -0.1517318E+01 3,+1 137 3 -1 1.712487 -1.795746 0.532027 Rho 0.4645321E-01 |GRAD(Rho)| 0.3303627E-16 GRAD(Rho)x 0.2764207E-16 GRAD(Rho)y 0.5294803E-17 GRAD(Rho)z 0.1729959E-16 Laplacian 0.1821129E+00 (-1/4)Del**2(Rho)) -0.4552822E-01 Diamond 0.8334123E-01 Metallicity 0.2271427E+01 Ellipticity 0.1391365E-01 Gb(Abramov) 0.4758782E-01 Vb(Abramov) -0.4964742E-01 Hb(Abramov) -0.2059598E-02 Ex_ueg -0.1233311E-01 Ec_ueg -0.2219779E-02 Delta_ex -0.1470674E-01 Delta_ec 0.5413115E-02 Delta_et -0.5598432E-01 Pxc 0.5556009E+01 Qxc -0.2716872E+01 3,-1 138 3 +1 1.407252 -1.071138 2.225303 Rho 0.2350767E-01 |GRAD(Rho)| 0.3105969E-17 GRAD(Rho)x 0.2056368E-17 GRAD(Rho)y -0.2260185E-17 GRAD(Rho)z 0.5567389E-18 Laplacian 0.8722433E-01 (-1/4)Del**2(Rho)) -0.2180608E-01 Diamond 0.9392717E-02 Metallicity 0.1524023E+01 Ellipticity -0.2593464E+01 Gb(Abramov) 0.2007621E-01 Vb(Abramov) -0.1834635E-01 Hb(Abramov) 0.1729867E-02 Ex_ueg -0.4973526E-02 Ec_ueg -0.1013875E-02 Delta_ex -0.5208254E-02 Delta_ec 0.1250970E-02 Delta_et -0.1093954E-01 Pxc 0.4905463E+01 Qxc -0.4163372E+01 3,+1 139 3 -1 0.452597 0.409479 -0.498363 Rho 0.1771848E+00 |GRAD(Rho)| 0.1503457E-13 GRAD(Rho)x 0.9652001E-14 GRAD(Rho)y 0.9849760E-14 GRAD(Rho)z -0.5988265E-14 Laplacian 0.4537450E+00 (-1/4)Del**2(Rho)) -0.1134363E+00 Diamond 0.1145734E+01 Metallicity 0.8488780E+01 Ellipticity 0.6237447E-02 Gb(Abramov) 0.2361134E+00 Vb(Abramov) -0.3587906E+00 Hb(Abramov) -0.1226772E+00 Ex_ueg -0.7349993E-01 Ec_ueg -0.1020589E-01 Delta_ex -0.5096746E-01 Delta_ec 0.1135592E-01 Delta_et -0.1552662E+00 Pxc 0.7201717E+01 Qxc -0.4488184E+01 3,-1 140 3 +1 1.255112 -2.225625 1.269740 Rho 0.2742507E-01 |GRAD(Rho)| 0.1854943E-15 GRAD(Rho)x 0.6593795E-16 GRAD(Rho)y -0.1726943E-15 GRAD(Rho)z -0.1539473E-16 Laplacian 0.1114923E+00 (-1/4)Del**2(Rho)) -0.2787307E-01 Diamond 0.1815121E-01 Metallicity 0.1541516E+01 Ellipticity -0.8276535E+01 Gb(Abramov) 0.2574318E-01 Vb(Abramov) -0.2361329E-01 Hb(Abramov) 0.2129894E-02 Ex_ueg -0.6108231E-02 Ec_ueg -0.1211571E-02 Delta_ex -0.7260627E-02 Delta_ec 0.2163821E-02 Delta_et -0.1949017E-01 Pxc 0.5041578E+01 Qxc -0.3355466E+01 3,+1 141 3 -1 0.098182 -3.449027 -1.142004 Rho 0.3390231E-01 |GRAD(Rho)| 0.9240381E-16 GRAD(Rho)x 0.8941380E-16 GRAD(Rho)y 0.1436577E-16 GRAD(Rho)z -0.1836470E-16 Laplacian 0.1050388E+00 (-1/4)Del**2(Rho)) -0.2625969E-01 Diamond 0.4807420E-01 Metallicity 0.2329767E+01 Ellipticity 0.5595062E-02 Gb(Abramov) 0.2770295E-01 Vb(Abramov) -0.2914621E-01 Hb(Abramov) -0.1443263E-02 Ex_ueg -0.8103839E-02 Ec_ueg -0.1546594E-02 Delta_ex -0.9057928E-02 Delta_ec 0.5292328E-02 Delta_et -0.5030879E-01 Pxc 0.5239797E+01 Qxc -0.1711521E+01 3,-1 142 3 +1 2.171781 -1.102761 1.434268 Rho 0.2500107E-01 |GRAD(Rho)| 0.7183761E-16 GRAD(Rho)x -0.6712168E-16 GRAD(Rho)y 0.1783375E-16 GRAD(Rho)z -0.1836517E-16 Laplacian 0.9449293E-01 (-1/4)Del**2(Rho)) -0.2362323E-01 Diamond 0.1218941E-01 Metallicity 0.1558876E+01 Ellipticity -0.3905863E+01 Gb(Abramov) 0.2188644E-01 Vb(Abramov) -0.2014964E-01 Hb(Abramov) 0.1736795E-02 Ex_ueg -0.5399206E-02 Ec_ueg -0.1088768E-02 Delta_ex -0.5858559E-02 Delta_ec 0.1570521E-02 Delta_et -0.1387107E-01 Pxc 0.4959004E+01 Qxc -0.3730328E+01 3,+1 143 3 +3 1.923406 -1.913808 2.000676 Rho 0.1176250E-01 |GRAD(Rho)| 0.7082845E-17 GRAD(Rho)x 0.3281922E-17 GRAD(Rho)y 0.3312829E-18 GRAD(Rho)z -0.6267850E-17 Laplacian 0.5227779E-01 (-1/4)Del**2(Rho)) -0.1306945E-01 Diamond 0.1120702E-02 Metallicity 0.8019161E+00 Ellipticity -0.7335986E+00 Gb(Abramov) 0.1045973E-01 Vb(Abramov) -0.7850016E-02 Hb(Abramov) 0.2609716E-02 Ex_ueg -0.1975687E-02 Ec_ueg -0.4486165E-03 Delta_ex -0.2283900E-02 Delta_ec 0.1924331E-03 Delta_et -0.1813394E-02 Pxc 0.4403955E+01 Qxc -0.1186854E+02 3,+3 144 3 -1 0.539197 1.723241 -1.742569 Rho 0.4063289E-01 |GRAD(Rho)| 0.9850056E-16 GRAD(Rho)x 0.5883724E-16 GRAD(Rho)y -0.6219763E-16 GRAD(Rho)z 0.4870312E-16 Laplacian 0.1708094E+00 (-1/4)Del**2(Rho)) -0.4270236E-01 Diamond 0.7041007E-01 Metallicity 0.1937452E+01 Ellipticity 0.2054562E-01 Gb(Abramov) 0.4225720E-01 Vb(Abramov) -0.4181204E-01 Hb(Abramov) 0.4451594E-03 Ex_ueg -0.1031705E-01 Ec_ueg -0.1904045E-02 Delta_ex -0.1363940E-01 Delta_ec 0.5614528E-02 Delta_et -0.5610005E-01 Pxc 0.5418489E+01 Qxc -0.2429305E+01 3,-1 145 3 +1 1.076724 1.423172 -2.203433 Rho 0.2474395E-01 |GRAD(Rho)| 0.2241686E-16 GRAD(Rho)x 0.1774196E-16 GRAD(Rho)y -0.1368960E-16 GRAD(Rho)z -0.5773439E-18 Laplacian 0.9320422E-01 (-1/4)Del**2(Rho)) -0.2330105E-01 Diamond 0.1045430E-01 Metallicity 0.1553433E+01 Ellipticity -0.2425051E+01 Gb(Abramov) 0.2156681E-01 Vb(Abramov) -0.1983256E-01 Hb(Abramov) 0.1734247E-02 Ex_ueg -0.5325295E-02 Ec_ueg -0.1075831E-02 Delta_ex -0.5608652E-02 Delta_ec 0.1274098E-02 Delta_et -0.1129194E-01 Pxc 0.4949937E+01 Qxc -0.4402056E+01 3,+1 146 3 +1 2.065414 -2.055112 2.151486 Rho 0.1194242E-01 |GRAD(Rho)| 0.5622599E-17 GRAD(Rho)x -0.1015804E-17 GRAD(Rho)y 0.1176160E-17 GRAD(Rho)z -0.5403555E-17 Laplacian 0.5362261E-01 (-1/4)Del**2(Rho)) -0.1340565E-01 Diamond 0.1680705E-02 Metallicity 0.8018363E+00 Ellipticity -0.1146971E+01 Gb(Abramov) 0.1072862E-01 Vb(Abramov) -0.8051597E-02 Hb(Abramov) 0.2677028E-02 Ex_ueg -0.2016082E-02 Ec_ueg -0.4569115E-03 Delta_ex -0.2500454E-02 Delta_ec 0.4603613E-03 Delta_et -0.3629444E-02 Pxc 0.4412412E+01 Qxc -0.5431504E+01 3,+1 147 3 -1 0.826230 -2.018605 3.100855 Rho 0.1440713E+00 |GRAD(Rho)| 0.4892537E-12 GRAD(Rho)x -0.3536215E-12 GRAD(Rho)y -0.2852043E-12 GRAD(Rho)z -0.1816025E-12 Laplacian 0.5634660E+00 (-1/4)Del**2(Rho)) -0.1408665E+00 Diamond 0.1082066E+01 Metallicity 0.4842185E+01 Ellipticity 0.2366789E-01 Gb(Abramov) 0.2075946E+00 Vb(Abramov) -0.2743227E+00 Hb(Abramov) -0.6672811E-01 Ex_ueg -0.5578128E-01 Ec_ueg -0.8065080E-02 Delta_ex -0.5985462E-01 Delta_ec 0.1433056E-01 Delta_et -0.1894376E+00 Pxc 0.6916395E+01 Qxc -0.4176713E+01 3,-1 148 3 -1 0.515611 -1.771568 1.774467 Rho 0.4464320E-01 |GRAD(Rho)| 0.2581080E-15 GRAD(Rho)x 0.5802578E-16 GRAD(Rho)y 0.1889434E-15 GRAD(Rho)z -0.1659914E-15 Laplacian 0.1757136E+00 (-1/4)Del**2(Rho)) -0.4392839E-01 Diamond 0.7554022E-01 Metallicity 0.2203265E+01 Ellipticity 0.1386611E-01 Gb(Abramov) 0.4541658E-01 Vb(Abramov) -0.4690476E-01 Hb(Abramov) -0.1488181E-02 Ex_ueg -0.1169658E-01 Ec_ueg -0.2120982E-02 Delta_ex -0.1401732E-01 Delta_ec 0.5166870E-02 Delta_et -0.5286734E-01 Pxc 0.5514698E+01 Qxc -0.2712922E+01 3,-1 149 3 +1 1.796118 1.788871 1.842556 Rho 0.1154824E-01 |GRAD(Rho)| 0.1195811E-16 GRAD(Rho)x 0.7042035E-17 GRAD(Rho)y 0.1678343E-17 GRAD(Rho)z -0.9517836E-17 Laplacian 0.5445915E-01 (-1/4)Del**2(Rho)) -0.1361479E-01 Diamond 0.1974445E-02 Metallicity 0.7465670E+00 Ellipticity -0.1255176E+01 Gb(Abramov) 0.1077058E-01 Vb(Abramov) -0.7926379E-02 Hb(Abramov) 0.2844204E-02 Ex_ueg -0.1927848E-02 Ec_ueg -0.4387546E-03 Delta_ex -0.2620819E-02 Delta_ec 0.6548002E-03 Delta_et -0.4904781E-02 Pxc 0.4393910E+01 Qxc -0.4002472E+01 3,+1 150 3 -1 0.937301 2.024407 -3.018263 Rho 0.1005065E+00 |GRAD(Rho)| 0.1151290E-13 GRAD(Rho)x 0.4672986E-14 GRAD(Rho)y -0.9169870E-14 GRAD(Rho)z 0.5159799E-14 Laplacian 0.4171727E+00 (-1/4)Del**2(Rho)) -0.1042932E+00 Diamond 0.5370562E+00 Metallicity 0.3588839E+01 Ellipticity 0.2289837E-01 Gb(Abramov) 0.1319107E+00 Vb(Abramov) -0.1595282E+00 Hb(Abramov) -0.2761750E-01 Ex_ueg -0.3451255E-01 Ec_ueg -0.5355742E-02 Delta_ex -0.4095794E-01 Delta_ec 0.1207601E-01 Delta_et -0.1507211E+00 Pxc 0.6444028E+01 Qxc -0.3391678E+01 3,-1 151 3 +1 1.377831 2.166991 -1.113177 Rho 0.2330763E-01 |GRAD(Rho)| 0.2400714E-16 GRAD(Rho)x 0.7943205E-17 GRAD(Rho)y -0.2257584E-16 GRAD(Rho)z -0.1891943E-17 Laplacian 0.8495137E-01 (-1/4)Del**2(Rho)) -0.2123784E-01 Diamond 0.1039240E-01 Metallicity 0.1542670E+01 Ellipticity -0.6035936E+01 Gb(Abramov) 0.1961906E-01 Vb(Abramov) -0.1800028E-01 Hb(Abramov) 0.1618783E-02 Ex_ueg -0.4917179E-02 Ec_ueg -0.1003889E-02 Delta_ex -0.5221925E-02 Delta_ec 0.1506162E-02 Delta_et -0.1304989E-01 Pxc 0.4898128E+01 Qxc -0.3467042E+01 3,+1 152 3 -1 0.895513 3.060717 -1.990354 Rho 0.1212488E+00 |GRAD(Rho)| 0.1057592E-13 GRAD(Rho)x 0.4397483E-14 GRAD(Rho)y -0.4169401E-14 GRAD(Rho)z 0.8667654E-14 Laplacian 0.4936995E+00 (-1/4)Del**2(Rho)) -0.1234249E+00 Diamond 0.7908522E+00 Metallicity 0.4145845E+01 Ellipticity 0.5986075E-02 Gb(Abramov) 0.1675666E+00 Vb(Abramov) -0.2117084E+00 Hb(Abramov) -0.4414177E-01 Ex_ueg -0.4432225E-01 Ec_ueg -0.6629319E-02 Delta_ex -0.5056699E-01 Delta_ec 0.1356587E-01 Delta_et -0.1753132E+00 Pxc 0.6685792E+01 Qxc -0.3727514E+01 3,-1 153 3 -1 0.573511 2.811465 1.855294 Rho 0.1577471E+00 |GRAD(Rho)| 0.2524500E-15 GRAD(Rho)x 0.1308361E-15 GRAD(Rho)y 0.6350037E-16 GRAD(Rho)z -0.2063508E-15 Laplacian 0.6475044E+00 (-1/4)Del**2(Rho)) -0.1618761E+00 Diamond 0.1381845E+01 Metallicity 0.4901243E+01 Ellipticity 0.1540003E-01 Gb(Abramov) 0.2401497E+00 Vb(Abramov) -0.3184234E+00 Hb(Abramov) -0.7827364E-01 Ex_ueg -0.6295066E-01 Ec_ueg -0.8941272E-02 Delta_ex -0.7029187E-01 Delta_ec 0.1602113E-01 Delta_et -0.2142241E+00 Pxc 0.7040460E+01 Qxc -0.4387447E+01 3,-1 154 3 +3 2.366608 0.019282 0.070635 Rho 0.3922198E-02 |GRAD(Rho)| 0.1041354E-15 GRAD(Rho)x -0.5732431E-16 GRAD(Rho)y -0.6129413E-16 GRAD(Rho)z 0.6165342E-16 Laplacian 0.1579310E-01 (-1/4)Del**2(Rho)) -0.3948274E-02 Diamond 0.1119832E-03 Metallicity 0.4256262E+00 Ellipticity -0.2075624E+00 Gb(Abramov) 0.2912264E-02 Vb(Abramov) -0.1876254E-02 Hb(Abramov) 0.1036010E-02 Ex_ueg -0.4568332E-03 Ec_ueg -0.1008296E-03 Delta_ex -0.5525052E-03 Delta_ec 0.1448170E-03 Delta_et -0.8763603E-03 Pxc 0.4530747E+01 Qxc -0.3815197E+01 3,+3 155 3 -1 1.727299 0.465800 -1.768277 Rho 0.4593997E-01 |GRAD(Rho)| 0.5809417E-16 GRAD(Rho)x 0.5620402E-16 GRAD(Rho)y 0.1104256E-16 GRAD(Rho)z -0.9700645E-17 Laplacian 0.1807230E+00 (-1/4)Del**2(Rho)) -0.4518075E-01 Diamond 0.8143935E-01 Metallicity 0.2246903E+01 Ellipticity 0.1202633E-01 Gb(Abramov) 0.4703996E-01 Vb(Abramov) -0.4889917E-01 Hb(Abramov) -0.1859210E-02 Ex_ueg -0.1215177E-01 Ec_ueg -0.2191711E-02 Delta_ex -0.1455268E-01 Delta_ec 0.5369998E-02 Delta_et -0.5537520E-01 Pxc 0.5544420E+01 Qxc -0.2709998E+01 3,-1 156 3 -1 1.817886 0.570669 2.863068 Rho 0.1075841E+00 |GRAD(Rho)| 0.1267228E-12 GRAD(Rho)x 0.8792331E-13 GRAD(Rho)y -0.8958174E-13 GRAD(Rho)z -0.1741464E-13 Laplacian 0.4629246E+00 (-1/4)Del**2(Rho)) -0.1157311E+00 Diamond 0.6490682E+00 Metallicity 0.3622568E+01 Ellipticity 0.1619668E-01 Gb(Abramov) 0.1470281E+00 Vb(Abramov) -0.1783250E+00 Hb(Abramov) -0.3129694E-01 Ex_ueg -0.3779050E-01 Ec_ueg -0.5786718E-02 Delta_ex -0.4620615E-01 Delta_ec 0.1326153E-01 Delta_et -0.1678630E+00 Pxc 0.6530559E+01 Qxc -0.3484224E+01 3,-1 157 3 -1 2.009461 -3.043196 0.926891 Rho 0.1235933E+00 |GRAD(Rho)| 0.2427122E-15 GRAD(Rho)x -0.7721552E-16 GRAD(Rho)y -0.1213832E-15 GRAD(Rho)z 0.1954817E-15 Laplacian 0.4683688E+00 (-1/4)Del**2(Rho)) -0.1170922E+00 Diamond 0.7563026E+00 Metallicity 0.4511802E+01 Ellipticity 0.2727168E-01 Gb(Abramov) 0.1661109E+00 Vb(Abramov) -0.2151297E+00 Hb(Abramov) -0.4901873E-01 Ex_ueg -0.4546860E-01 Ec_ueg -0.6775212E-02 Delta_ex -0.4804365E-01 Delta_ec 0.1254924E-01 Delta_et -0.1622836E+00 Pxc 0.6711021E+01 Qxc -0.3828412E+01 3,-1 158 3 -1 1.844997 -2.977586 -0.482244 Rho 0.2091520E+00 |GRAD(Rho)| 0.5827523E-15 GRAD(Rho)x -0.9508453E-16 GRAD(Rho)y -0.3105155E-15 GRAD(Rho)z -0.4838794E-15 Laplacian 0.8295948E+00 (-1/4)Del**2(Rho)) -0.2073987E+00 Diamond 0.2452292E+01 Metallicity 0.6121395E+01 Ellipticity 0.1717154E-01 Gb(Abramov) 0.3498607E+00 Vb(Abramov) -0.4923227E+00 Hb(Abramov) -0.1424620E+00 Ex_ueg -0.9169261E-01 Ec_ueg -0.1233280E-01 Delta_ex -0.9650306E-01 Delta_ec 0.1867514E-01 Delta_et -0.2554042E+00 Pxc 0.7434856E+01 Qxc -0.5167462E+01 3,-1 159 3 -1 1.778837 1.701122 -0.539284 Rho 0.3628199E-01 |GRAD(Rho)| 0.2739415E-16 GRAD(Rho)x -0.1528005E-16 GRAD(Rho)y -0.1991078E-16 GRAD(Rho)z -0.1097818E-16 Laplacian 0.1520584E+00 (-1/4)Del**2(Rho)) -0.3801459E-01 Diamond 0.5341809E-01 Metallicity 0.1802000E+01 Ellipticity 0.2457162E-01 Gb(Abramov) 0.3676011E-01 Vb(Abramov) -0.3550562E-01 Hb(Abramov) 0.1254484E-02 Ex_ueg -0.8871013E-02 Ec_ueg -0.1671964E-02 Delta_ex -0.1179269E-01 Delta_ec 0.4962660E-02 Delta_et -0.4805457E-01 Pxc 0.5305742E+01 Qxc -0.2376284E+01 3,-1 160 3 +1 2.103218 2.045854 -2.016097 Rho 0.1141371E-01 |GRAD(Rho)| 0.3911512E-14 GRAD(Rho)x -0.2025384E-14 GRAD(Rho)y -0.2535915E-14 GRAD(Rho)z 0.2183318E-14 Laplacian 0.4826846E-01 (-1/4)Del**2(Rho)) -0.1206712E-01 Diamond 0.1334410E-02 Metallicity 0.8260279E+00 Ellipticity -0.1128860E+01 Gb(Abramov) 0.9706039E-02 Vb(Abramov) -0.7344963E-02 Hb(Abramov) 0.2361076E-02 Ex_ueg -0.1897963E-02 Ec_ueg -0.4325721E-03 Delta_ex -0.2195906E-02 Delta_ec 0.3665329E-03 Delta_et -0.2919814E-02 Pxc 0.4387622E+01 Qxc -0.5991019E+01 3,+1 161 3 -1 1.997694 -0.877956 3.095339 Rho 0.1107182E+00 |GRAD(Rho)| 0.4052916E-13 GRAD(Rho)x 0.1523921E-13 GRAD(Rho)y 0.3640199E-13 GRAD(Rho)z -0.9234387E-14 Laplacian 0.4592897E+00 (-1/4)Del**2(Rho)) -0.1148224E+00 Diamond 0.6639393E+00 Metallicity 0.3830230E+01 Ellipticity 0.1808835E-01 Gb(Abramov) 0.1498477E+00 Vb(Abramov) -0.1848729E+00 Hb(Abramov) -0.3502524E-01 Ex_ueg -0.3926543E-01 Ec_ueg -0.5978775E-02 Delta_ex -0.4611100E-01 Delta_ec 0.1300180E-01 Delta_et -0.1653980E+00 Pxc 0.6567472E+01 Qxc -0.3546508E+01 3,-1 162 3 -1 2.070712 3.040314 -0.844871 Rho 0.1264289E+00 |GRAD(Rho)| 0.2445414E-15 GRAD(Rho)x -0.8207410E-16 GRAD(Rho)y -0.4144363E-16 GRAD(Rho)z -0.2265983E-15 Laplacian 0.5165187E+00 (-1/4)Del**2(Rho)) -0.1291297E+00 Diamond 0.8694775E+00 Metallicity 0.4248845E+01 Ellipticity 0.1446895E-01 Gb(Abramov) 0.1775285E+00 Vb(Abramov) -0.2259272E+00 Hb(Abramov) -0.4839877E-01 Ex_ueg -0.4686480E-01 Ec_ueg -0.6952171E-02 Delta_ex -0.5342598E-01 Delta_ec 0.1404197E-01 Delta_et -0.1827776E+00 Pxc 0.6741031E+01 Qxc -0.3804734E+01 3,-1 163 3 -1 2.064508 0.831434 -3.042020 Rho 0.1532392E+00 |GRAD(Rho)| 0.1642286E-11 GRAD(Rho)x 0.7559101E-12 GRAD(Rho)y -0.1281047E-11 GRAD(Rho)z 0.6961476E-12 Laplacian 0.5785063E+00 (-1/4)Del**2(Rho)) -0.1446266E+00 Diamond 0.1209931E+01 Metallicity 0.5227026E+01 Ellipticity 0.2540931E-01 Gb(Abramov) 0.2224122E+00 Vb(Abramov) -0.3001978E+00 Hb(Abramov) -0.7778563E-01 Ex_ueg -0.6056356E-01 Ec_ueg -0.8651189E-02 Delta_ex -0.6252262E-01 Delta_ec 0.1472311E-01 Delta_et -0.1968619E+00 Pxc 0.7000606E+01 Qxc -0.4246563E+01 3,-1 164 3 -1 2.774156 -0.622033 -1.807943 Rho 0.1176146E+00 |GRAD(Rho)| 0.1219282E-13 GRAD(Rho)x -0.1438547E-14 GRAD(Rho)y 0.7774766E-14 GRAD(Rho)z -0.9281624E-14 Laplacian 0.4808184E+00 (-1/4)Del**2(Rho)) -0.1202046E+00 Diamond 0.7284975E+00 Metallicity 0.4046387E+01 Ellipticity 0.5628675E-02 Gb(Abramov) 0.1612021E+00 Vb(Abramov) -0.2021996E+00 Hb(Abramov) -0.4099752E-01 Ex_ueg -0.4255984E-01 Ec_ueg -0.6403918E-02 Delta_ex -0.4870060E-01 Delta_ec 0.1295941E-01 Delta_et -0.1660242E+00 Pxc 0.6645907E+01 Qxc -0.3757935E+01 3,-1 165 3 -1 3.045594 -0.891356 2.067300 Rho 0.1360346E+00 |GRAD(Rho)| 0.2576025E-16 GRAD(Rho)x 0.1530080E-16 GRAD(Rho)y -0.2059984E-16 GRAD(Rho)z 0.2263272E-17 Laplacian 0.5432505E+00 (-1/4)Del**2(Rho)) -0.1358126E+00 Diamond 0.1000966E+01 Metallicity 0.4564169E+01 Ellipticity 0.2608740E-01 Gb(Abramov) 0.1938537E+00 Vb(Abramov) -0.2518948E+00 Hb(Abramov) -0.5804110E-01 Ex_ueg -0.5167146E-01 Ec_ueg -0.7555610E-02 Delta_ex -0.5721386E-01 Delta_ec 0.1456337E-01 Delta_et -0.1919866E+00 Pxc 0.6838820E+01 Qxc -0.3928613E+01 3,-1 166 3 -1 2.863044 0.581536 1.904700 Rho 0.1353217E+00 |GRAD(Rho)| 0.3328896E-14 GRAD(Rho)x -0.5709544E-15 GRAD(Rho)y -0.2225677E-14 GRAD(Rho)z 0.2408718E-14 Laplacian 0.5714444E+00 (-1/4)Del**2(Rho)) -0.1428611E+00 Diamond 0.1047720E+01 Metallicity 0.4301153E+01 Ellipticity 0.1245614E-01 Gb(Abramov) 0.1976520E+00 Vb(Abramov) -0.2524429E+00 Hb(Abramov) -0.5479088E-01 Ex_ueg -0.5131074E-01 Ec_ueg -0.7510620E-02 Delta_ex -0.6012340E-01 Delta_ec 0.1536757E-01 Delta_et -0.2024715E+00 Pxc 0.6831759E+01 Qxc -0.3912355E+01 3,-1 167 3 -1 2.883125 1.834750 0.628272 Rho 0.1227831E+00 |GRAD(Rho)| 0.1471905E-15 GRAD(Rho)x 0.8330738E-16 GRAD(Rho)y -0.2089800E-16 GRAD(Rho)z 0.1195333E-15 Laplacian 0.5242516E+00 (-1/4)Del**2(Rho)) -0.1310629E+00 Diamond 0.8589721E+00 Metallicity 0.3986920E+01 Ellipticity 0.1365272E-01 Gb(Abramov) 0.1744648E+00 Vb(Abramov) -0.2178667E+00 Hb(Abramov) -0.4340191E-01 Ex_ueg -0.4507160E-01 Ec_ueg -0.6724750E-02 Delta_ex -0.5393994E-01 Delta_ec 0.1451182E-01 Delta_et -0.1882023E+00 Pxc 0.6702346E+01 Qxc -0.3716965E+01 3,-1 168 3 -1 3.095763 1.961975 -0.838389 Rho 0.1377167E+00 |GRAD(Rho)| 0.7613356E-16 GRAD(Rho)x 0.7014788E-16 GRAD(Rho)y -0.4499439E-17 GRAD(Rho)z 0.2924635E-16 Laplacian 0.5468909E+00 (-1/4)Del**2(Rho)) -0.1367227E+00 Diamond 0.1022840E+01 Metallicity 0.4627610E+01 Ellipticity 0.2639349E-01 Gb(Abramov) 0.1965984E+00 Vb(Abramov) -0.2564740E+00 Hb(Abramov) -0.5987566E-01 Ex_ueg -0.5252513E-01 Ec_ueg -0.7661903E-02 Delta_ex -0.5777022E-01 Delta_ec 0.1462159E-01 Delta_et -0.1931430E+00 Pxc 0.6855363E+01 Qxc -0.3951023E+01 3,-1 169 3 -1 3.254224 0.034021 3.326304 Rho 0.1958212E+00 |GRAD(Rho)| 0.2224628E-15 GRAD(Rho)x 0.1311885E-15 GRAD(Rho)y 0.1100465E-16 GRAD(Rho)z 0.1793270E-15 Laplacian 0.7402539E+00 (-1/4)Del**2(Rho)) -0.1850635E+00 Diamond 0.2062132E+01 Metallicity 0.6147031E+01 Ellipticity 0.2631224E-02 Gb(Abramov) 0.3129742E+00 Vb(Abramov) -0.4408849E+00 Hb(Abramov) -0.1279107E+00 Ex_ueg -0.8398430E-01 Ec_ueg -0.1143886E-01 Delta_ex -0.8494864E-01 Delta_ec 0.1747728E-01 Delta_et -0.2396869E+00 Pxc 0.7342017E+01 Qxc -0.4860517E+01 3,-1 170 3 -1 -2.841040 -1.868893 0.586777 Rho 0.1251623E+00 |GRAD(Rho)| 0.9074606E-13 GRAD(Rho)x 0.2469499E-13 GRAD(Rho)y -0.7413888E-13 GRAD(Rho)z -0.4613492E-13 Laplacian 0.5289813E+00 (-1/4)Del**2(Rho)) -0.1322453E+00 Diamond 0.8852960E+00 Metallicity 0.4079707E+01 Ellipticity 0.6511623E-02 Gb(Abramov) 0.1780839E+00 Vb(Abramov) -0.2239225E+00 Hb(Abramov) -0.4583859E-01 Ex_ueg -0.4623987E-01 Ec_ueg -0.6873064E-02 Delta_ex -0.5465418E-01 Delta_ec 0.1454033E-01 Delta_et -0.1891504E+00 Pxc 0.6727694E+01 Qxc -0.3758799E+01 3,-1 171 3 -1 -1.983004 -3.228146 -0.736518 Rho 0.1177147E+00 |GRAD(Rho)| 0.3407796E-14 GRAD(Rho)x -0.1469609E-14 GRAD(Rho)y -0.4250479E-15 GRAD(Rho)z -0.3045104E-14 Laplacian 0.4567606E+00 (-1/4)Del**2(Rho)) -0.1141901E+00 Diamond 0.7222727E+00 Metallicity 0.4265558E+01 Ellipticity 0.9068582E-01 Gb(Abramov) 0.1573076E+00 Vb(Abramov) -0.2004250E+00 Hb(Abramov) -0.4311740E-01 Ex_ueg -0.4260816E-01 Ec_ueg -0.6410116E-02 Delta_ex -0.4667942E-01 Delta_ec 0.1303378E-01 Delta_et -0.1681578E+00 Pxc 0.6647019E+01 Qxc -0.3581420E+01 3,-1 172 3 -1 -0.725969 -3.578941 -1.240033 Rho 0.3184072E+00 |GRAD(Rho)| 0.4472692E-13 GRAD(Rho)x 0.3993971E-13 GRAD(Rho)y 0.1995437E-13 GRAD(Rho)z 0.2672205E-14 Laplacian -0.1605983E+01 (-1/4)Del**2(Rho)) 0.4014957E+00 Diamond 0.5550206E+01 Metallicity -0.6370552E+01 Ellipticity 0.2192318E-02 Gb(Abramov) 0.1586277E+00 Vb(Abramov) -0.7187511E+00 Hb(Abramov) -0.5601234E+00 Ex_ueg -0.1605815E+00 Ec_ueg -0.2002794E-01 Delta_ex 0.1597209E+00 Delta_ec 0.5584291E-01 Delta_et -0.1323557E+01 Pxc 0.8017876E+01 Qxc 0.2860182E+01 3,-1 173 3 -1 -0.485141 0.436788 0.461370 Rho 0.1752486E+00 |GRAD(Rho)| 0.4783331E-14 GRAD(Rho)x -0.2581269E-14 GRAD(Rho)y 0.2917805E-14 GRAD(Rho)z 0.2775558E-14 Laplacian 0.4485129E+00 (-1/4)Del**2(Rho)) -0.1121282E+00 Diamond 0.1115812E+01 Metallicity 0.8431974E+01 Ellipticity 0.7521142E-02 Gb(Abramov) 0.2323292E+00 Vb(Abramov) -0.3525301E+00 Hb(Abramov) -0.1202010E+00 Ex_ueg -0.7243101E-01 Ec_ueg -0.1007893E-01 Delta_ex -0.5022666E-01 Delta_ec 0.1122986E-01 Delta_et -0.1532687E+00 Pxc 0.7186377E+01 Qxc -0.4472600E+01 3,-1 174 3 -1 0.555871 1.832405 2.845922 Rho 0.1527588E+00 |GRAD(Rho)| 0.1389489E-15 GRAD(Rho)x -0.9107298E-16 GRAD(Rho)y 0.1032703E-15 GRAD(Rho)z 0.1864828E-16 Laplacian 0.6244814E+00 (-1/4)Del**2(Rho)) -0.1561203E+00 Diamond 0.1285358E+01 Metallicity 0.4816934E+01 Ellipticity 0.1207861E-01 Gb(Abramov) 0.2294171E+00 Vb(Abramov) -0.3027139E+00 Hb(Abramov) -0.7329679E-01 Ex_ueg -0.6031056E-01 Ec_ueg -0.8620350E-02 Delta_ex -0.6728556E-01 Delta_ec 0.1563112E-01 Delta_et -0.2082679E+00 Pxc 0.6996301E+01 Qxc -0.4304589E+01 3,-1 175 3 -1 0.085775 3.242268 3.246996 Rho 0.2195137E+00 |GRAD(Rho)| 0.2091035E-10 GRAD(Rho)x -0.3833968E-11 GRAD(Rho)y -0.1456984E-10 GRAD(Rho)z -0.1450046E-10 Laplacian 0.8087091E+00 (-1/4)Del**2(Rho)) -0.2021773E+00 Diamond 0.2576600E+01 Metallicity 0.6806497E+01 Ellipticity 0.1583960E-02 Gb(Abramov) 0.3641380E+00 Vb(Abramov) -0.5260988E+00 Hb(Abramov) -0.1619607E+00 Ex_ueg -0.9779890E-01 Ec_ueg -0.1303446E-01 Delta_ex -0.9551463E-01 Delta_ec 0.1841516E-01 Delta_et -0.2543628E+00 Pxc 0.7503101E+01 Qxc -0.5186739E+01 3,-1 176 3 -1 1.856016 2.801205 0.596288 Rho 0.1012050E+00 |GRAD(Rho)| 0.1570830E-12 GRAD(Rho)x 0.1150258E-12 GRAD(Rho)y -0.3282068E-13 GRAD(Rho)z -0.1018182E-12 Laplacian 0.4349035E+00 (-1/4)Del**2(Rho)) -0.1087259E+00 Diamond 0.5680301E+00 Metallicity 0.3482491E+01 Ellipticity 0.1984815E-01 Gb(Abramov) 0.1355901E+00 Vb(Abramov) -0.1624542E+00 Hb(Abramov) -0.2686418E-01 Ex_ueg -0.3483273E-01 Ec_ueg -0.5398102E-02 Delta_ex -0.4282517E-01 Delta_ec 0.1267403E-01 Delta_et -0.1585326E+00 Pxc 0.6452773E+01 Qxc -0.3378969E+01 3,-1 177 3 -1 3.037422 0.784159 -2.001206 Rho 0.1077824E+00 |GRAD(Rho)| 0.7437682E-13 GRAD(Rho)x -0.3444298E-13 GRAD(Rho)y -0.5123675E-13 GRAD(Rho)z -0.4147755E-13 Laplacian 0.4288561E+00 (-1/4)Del**2(Rho)) -0.1072140E+00 Diamond 0.5741509E+00 Metallicity 0.3922365E+01 Ellipticity 0.1406038E-01 Gb(Abramov) 0.1415648E+00 Vb(Abramov) -0.1759155E+00 Hb(Abramov) -0.3435075E-01 Ex_ueg -0.3788339E-01 Ec_ueg -0.5798846E-02 Delta_ex -0.4238311E-01 Delta_ec 0.1149339E-01 Delta_et -0.1444903E+00 Pxc 0.6532919E+01 Qxc -0.3687606E+01 3,-1 178 3 -1 3.245521 -3.251056 -0.013832 Rho 0.2164790E+00 |GRAD(Rho)| 0.1238733E-15 GRAD(Rho)x -0.1206717E-15 GRAD(Rho)y -0.2797242E-16 GRAD(Rho)z 0.6911789E-18 Laplacian 0.8010241E+00 (-1/4)Del**2(Rho)) -0.2002560E+00 Diamond 0.2512740E+01 Metallicity 0.6714196E+01 Ellipticity 0.1543059E-01 Gb(Abramov) 0.3575971E+00 Vb(Abramov) -0.5149381E+00 Hb(Abramov) -0.1573410E+00 Ex_ueg -0.9600036E-01 Ec_ueg -0.1282835E-01 Delta_ex -0.9428599E-01 Delta_ec 0.1834493E-01 Delta_et -0.2533053E+00 Pxc 0.7483453E+01 Qxc -0.5139621E+01 3,-1 179 3 -1 3.004111 -2.055805 0.891403 Rho 0.1101518E+00 |GRAD(Rho)| 0.1538933E-14 GRAD(Rho)x -0.6460829E-15 GRAD(Rho)y -0.7706983E-15 GRAD(Rho)z -0.1164867E-14 Laplacian 0.4391172E+00 (-1/4)Del**2(Rho)) -0.1097793E+00 Diamond 0.6041545E+00 Metallicity 0.3972087E+01 Ellipticity 0.1720704E-01 Gb(Abramov) 0.1458617E+00 Vb(Abramov) -0.1819441E+00 Hb(Abramov) -0.3608240E-01 Ex_ueg -0.3899785E-01 Ec_ueg -0.5944013E-02 Delta_ex -0.4363125E-01 Delta_ec 0.1172785E-01 Delta_et -0.1480535E+00 Pxc 0.6560862E+01 Qxc -0.3720310E+01 3,-1 180 3 -1 2.771171 -1.866882 -0.539792 Rho 0.1467238E+00 |GRAD(Rho)| 0.1526556E-15 GRAD(Rho)x 0.7534527E-16 GRAD(Rho)y 0.9039536E-16 GRAD(Rho)z -0.9723938E-16 Laplacian 0.5986826E+00 (-1/4)Del**2(Rho)) -0.1496707E+00 Diamond 0.1176736E+01 Metallicity 0.4698047E+01 Ellipticity 0.1359503E-01 Gb(Abramov) 0.2169737E+00 Vb(Abramov) -0.2842768E+00 Hb(Abramov) -0.6730308E-01 Ex_ueg -0.5715476E-01 Ec_ueg -0.8234120E-02 Delta_ex -0.6389672E-01 Delta_ec 0.1518648E-01 Delta_et -0.2013397E+00 Pxc 0.6941211E+01 Qxc -0.4207473E+01 3,-1 181 3 -1 3.318645 3.234075 0.070805 Rho 0.1953571E+00 |GRAD(Rho)| 0.2698010E-15 GRAD(Rho)x 0.9486769E-17 GRAD(Rho)y -0.2694784E-15 GRAD(Rho)z -0.9161508E-17 Laplacian 0.7376324E+00 (-1/4)Del**2(Rho)) -0.1844081E+00 Diamond 0.2050851E+01 Metallicity 0.6144525E+01 Ellipticity 0.3852799E-02 Gb(Abramov) 0.3117888E+00 Vb(Abramov) -0.4391695E+00 Hb(Abramov) -0.1273807E+00 Ex_ueg -0.8371897E-01 Ec_ueg -0.1140791E-01 Delta_ex -0.8460982E-01 Delta_ec 0.1745003E-01 Delta_et -0.2393421E+00 Pxc 0.7338676E+01 Qxc -0.4848692E+01 3,-1 182 3 -1 3.267789 -0.128957 -3.204987 Rho 0.2161867E+00 |GRAD(Rho)| 0.2842144E-15 GRAD(Rho)x -0.1419763E-15 GRAD(Rho)y 0.1417188E-15 GRAD(Rho)z 0.2013363E-15 Laplacian 0.8004370E+00 (-1/4)Del**2(Rho)) -0.2001092E+00 Diamond 0.2506213E+01 Metallicity 0.6704003E+01 Ellipticity 0.1500649E-01 Gb(Abramov) 0.3569950E+00 Vb(Abramov) -0.5138807E+00 Hb(Abramov) -0.1568857E+00 Ex_ueg -0.9582752E-01 Ec_ueg -0.1280852E-01 Delta_ex -0.9418035E-01 Delta_ec 0.1833184E-01 Delta_et -0.2530776E+00 Pxc 0.7481545E+01 Qxc -0.5137527E+01 3,-1 183 3 -1 1.866587 -0.592498 -2.909594 Rho 0.2105596E+00 |GRAD(Rho)| 0.9966955E-15 GRAD(Rho)x -0.8342936E-15 GRAD(Rho)y -0.5100629E-15 GRAD(Rho)z -0.1928525E-15 Laplacian 0.8306215E+00 (-1/4)Del**2(Rho)) -0.2076554E+00 Diamond 0.2475576E+01 Metallicity 0.6182563E+01 Ellipticity 0.1339885E-01 Gb(Abramov) 0.3524107E+00 Vb(Abramov) -0.4971659E+00 Hb(Abramov) -0.1447553E+00 Ex_ueg -0.9251637E-01 Ec_ueg -0.1242778E-01 Delta_ex -0.9679216E-01 Delta_ec 0.1866697E-01 Delta_et -0.2554108E+00 Pxc 0.7444322E+01 Qxc -0.5185211E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 148 130 128 147 75 129 120 119 139 173 144 123 126 150 152 133 124 174 153 115 127 175 137 180 158 179 157 178 159 167 176 168 162 181 86 79 87 61 88 68 57 170 56 63 171 58 91 73 93 66 99 71 95 70 92 60 96 72 111 166 156 165 161 169 155 164 183 177 163 182 125 109 122 110 116 141 113 172 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 22 28 36 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 28 52 24 53 52 53 2.415905 1.905094 1.885356 1.942835 1.970778 1.776406 1.726727 1.692424 1.720583 1.725217 2.444456 1.968445 1.972148 2.075809 2.005702 1.822318 2.421712 1.911048 1.897880 1.954520 1.940521 1.777257 2.399144 1.923716 1.794287 2.051359 2.004817 1.782663 2.490594 1.991132 2.064667 1.956748 1.988474 1.821969 2.449022 1.967270 1.982402 2.023819 2.055249 1.820823 2.363145 1.984220 2.084907 1.968092 2.026319 1.820646 2.378715 1.996446 1.990494 2.034581 2.039611 1.821425 2.435693 1.971704 2.045711 1.971484 2.032169 1.819757 2.486877 1.953738 2.040813 1.961537 2.038891 1.820984 2.402391 2.011068 1.792180 2.060334 1.919176 1.783137 3.232320 3.257961 3.061934 1.867874 3.288563 1.811353 0.994607 0.997626 2.417464 1.905403 1.885740 1.943296 1.971305 1.776416 1.726734 1.692451 1.720590 1.725223 2.446433 1.968658 1.972307 2.076061 2.005946 1.822326 2.423380 1.911394 1.898222 1.954963 1.940971 1.777261 2.400949 1.924171 1.794438 2.051783 2.005290 1.782681 2.492628 1.991307 2.064872 1.957003 1.988704 1.821979 2.450930 1.967458 1.982583 2.024041 2.055475 1.820830 2.365677 1.984399 2.085128 1.968345 2.026839 1.820662 2.381270 1.996624 1.990666 2.034811 2.040036 1.821434 2.437628 1.971905 2.045948 1.971712 2.032410 1.819768 2.488911 1.953933 2.041024 1.961800 2.039124 1.820992 2.404309 2.011471 1.792307 2.060760 1.919560 1.783158 3.236036 3.263017 3.066353 1.870347 3.290623 1.814417 0.994666 0.997689 29 27 27 27 24 24 23 24 23 20 31 27 27 26 26 25 29 25 26 27 27 25 30 25 26 24 25 22 29 25 24 24 25 24 27 25 26 25 27 24 27 24 26 24 24 25 30 27 27 25 29 23 30 25 28 24 29 25 32 25 25 27 25 23 28 25 23 24 25 22 35 35 35 27 35 26 19 17 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As Ta W W Ta Ta Ta Ta Ta Ta W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.3646 2.4249 2.1140 2.3727 2.2958 2.1137 2.1161 2.1288 2.1224 2.1254 2.1229 2.2853 -1.1064 -1.0284 -1.1026 -1.1041 -1.0231 -0.9915 -1.0261 -1.0277 -0.8762 -0.9910 -1.0277 -0.9885 -1.0281 -0.9796 -0.9856 -0.8773 -1.0504 -1.0736 -1.0509 -1.0589 -1.0344 -1.0294 -1.0356 -0.9350 -0.9303 -1.0327 -1.0201 -1.0630 -0.9160 -0.9268 -1.0095 -0.9196 -0.9243 -1.0092 -1.0064 -1.0042 -1.0086 -1.0022 -1.0065 0.3095 0.3152 2.1197 0.8593 2.1309 2.1235 2.1420 2.1316 2.1342 2.1446 2.1464 2.1297 2.1254 2.1487 1.9362 1.9472 1.9373 1.9347 1.9198 1.9257 1.9198 1.9197 1.9537 1.9253 1.9188 1.9255 1.9196 1.9268 1.9263 1.9527 1.9266 1.9231 1.9265 1.9242 1.9288 1.9297 1.9283 1.8621 1.8619 1.9290 1.9299 1.9233 1.9463 1.9432 1.9309 1.9455 1.9434 1.9307 1.9313 1.9305 1.9306 1.9316 1.9312 0.5491 0.5387 6.1098 1.1756 6.0993 6.1066 6.1225 6.0955 6.0993 6.0958 6.1035 6.0941 6.0916 6.1256 5.1349 5.0460 5.1307 5.1351 5.0800 5.0388 5.0831 5.0841 4.8922 5.0397 5.0851 5.0366 5.0848 5.0257 5.0333 4.8945 5.0997 5.1270 5.1005 5.1106 5.0795 5.0730 5.0814 5.0473 5.0429 5.0779 5.0625 5.1159 4.9403 4.9551 5.0557 4.9449 4.9524 5.0555 5.0520 5.0507 5.0553 5.0473 5.0521 0.1414 0.1461 3.3759 10.5402 2.6209 3.3672 3.4104 2.6245 2.6157 2.5962 2.5930 2.6161 2.6253 3.4112 0.0353 0.0352 0.0346 0.0343 0.0233 0.0270 0.0232 0.0239 0.0302 0.0260 0.0238 0.0264 0.0237 0.0271 0.0261 0.0301 0.0241 0.0235 0.0239 0.0241 0.0261 0.0267 0.0258 0.0255 0.0255 0.0257 0.0277 0.0238 0.0293 0.0284 0.0229 0.0292 0.0285 0.0230 0.0231 0.0229 0.0228 0.0232 0.0232 0.0000 0.0000 14.0300 0.0000 14.0349 14.0299 14.0293 14.0347 14.0347 14.0345 14.0347 14.0348 14.0348 14.0292 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As Ta W W Ta Ta Ta Ta Ta Ta W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.485503 2.305364 2.349661 2.487825 2.470117 2.347729 2.350218 2.373196 2.372797 2.353060 2.348486 2.468201 -1.088293 -1.040022 -1.091572 -1.099589 -1.081067 -1.025590 -1.089048 -1.081732 -0.884333 -1.040680 -1.082806 -1.037766 -1.085307 -1.025164 -1.037679 -0.876439 -1.085539 -1.102002 -1.088478 -1.099450 -1.063299 -1.060673 -1.065516 -0.758688 -0.754932 -1.063896 -1.040772 -1.105301 -0.983783 -1.002983 -1.124754 -0.989433 -1.000241 -1.124434 -1.121021 -1.114711 -1.120736 -1.114442 -1.119430 0.029081 0.030365 1.913062 1.760711 1.819599 1.921843 1.900981 1.824054 1.824691 1.868529 1.865106 1.826637 1.821378 1.908578 -0.678063 -0.665401 -0.682201 -0.692495 -0.828134 -0.770512 -0.840222 -0.834000 -0.745945 -0.792522 -0.816713 -0.798035 -0.840162 -0.774650 -0.793698 -0.740081 -0.933638 -0.933266 -0.935810 -0.952136 -0.907485 -0.907428 -0.907844 -1.030686 -1.020437 -0.909976 -0.871405 -0.947374 -0.925919 -0.950354 -1.096410 -0.932613 -0.948741 -1.093948 -1.091052 -1.069732 -1.079331 -1.081146 -1.086229 0.325953 0.324672 2.036313 1.680197 1.955318 2.048284 2.017176 1.959910 1.962429 1.979407 1.985276 1.960617 1.954555 2.023876 -0.770622 -0.764344 -0.774367 -0.786271 -0.933679 -0.847675 -0.941359 -0.931198 -0.810039 -0.875473 -0.937177 -0.871623 -0.925013 -0.881564 -0.876455 -0.805912 -0.978870 -0.963428 -0.978618 -0.992984 -0.937457 -0.942227 -0.940673 -0.983204 -0.978747 -0.941526 -0.918183 -0.987190 -0.884219 -0.911091 -1.062589 -0.892363 -0.907912 -1.063427 -1.058925 -1.049908 -1.060401 -1.050609 -1.057511 0.350861 0.360611 6.18509613 -10.14145559 -3.37301351 12.34835032 -40.11393293 -19.82006794 -22.71559426 21.02709782 42.72919516 19.08683511 -350.6996 418.3396 70.0181 -447.4254 -170.5609 -480.3282 Jun21-2024 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:35 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:45:42 Nodes: 1 Procs: 1 Jun21-2024 08:45:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:45:48 Nodes: 1 Procs: 1 Jun21-2024 08:45:50 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:45:53 Nodes: 1 Procs: 1 Jun21-2024 08:45:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 08:46:00 Nodes: 1 Procs: 5 *** (NO TITLE) *** -12 -17.23641365 -17.48588586 -17.53391779 -17.58005851 -17.59030667 -17.56435321 -17.58389049 -17.58414031 -17.58428112 -17.58468613 -17.58365342 -17.59116282 -17.59459200 -17.59552403 -17.59420794 -17.59429737 -17.59461324 -17.59589612 -17.59159484 -17.58247781 -17.59028630 -17.59872686 -17.59759732 -17.60016841 -17.60090703 -17.59961269 -17.60002381 -17.60116467 -17.60144819 -17.60196367 -17.60237526 -17.60285321 -17.60332376 -17.60377112 -17.60413817 -17.60462519 -17.60522958 -17.60586987 -17.60655371 -17.60739729 -17.60821055 -17.60903587 -17.60991404 -17.61083006 -17.61262445 -17.61714273 -17.62229426 -17.62148570 -17.62625542 -17.62829978 -17.62933386 -17.62736084 -17.62877740 -17.63011097 -17.62926131 -17.63021620 -17.62884838 -17.63020741 -17.63047370 -17.63023300 -17.63073249 -17.63093842 -17.63111194 -17.63122749 -17.63127911 -17.63138869 -17.63150744 -17.63156205 -17.63168319 -17.63180065 -17.63203496 -17.63238452 -17.63249635 -17.63269555 -17.63295559 -17.63313013 -17.63330626 -17.63350648 -17.63356907 -17.63371389 -17.63375263 -17.63380562 -17.63379342 -17.63375263 -17.63375361 -17.63375171 -17.63380291 -17.63380638 -17.63390208 -17.63403093 -17.63424530 -17.63353459 -17.63507783 -17.63615633 -17.63743705 -17.64036153 -17.64388683 -17.64648545 -17.64675204 -17.64946777 -17.64516161 -17.64966014 -17.64439419 -17.64889125 -17.65064521 -17.64973096 -17.65056807 -17.65083320 -17.65110386 -17.65110055 -17.65132919 -17.65146371 -17.65155202 -17.65161363 -17.65167228 -17.65169589 -17.65171274 -17.65173474 -17.65173773 GEOMETRY CONVERGED