ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:20 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.02 0.89 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 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:30 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.08 0.04 1.43 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 1.35 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 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.68 0.04 1.13 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 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:52 Nodes: 1 Procs: 1 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:03 Hydrogen (TZP) c10-26 c10-26 c10-26 c10-26 c10-26 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.79 0.06 2.23 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 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:52 Nodes: 1 Procs: 1 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:09 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:21 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2369.5382000000013 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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 Jun10-2024 15:29:09 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun10-2024 15:28:46 1 1 Arsenic TZP 3p t21.Mo ADF 2019.304 Jun10-2024 15:28:35 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun10-2024 15:28:57 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 15:28:23 1 1 Hydrogen TZP 1 1 -15.90660650 0.29933226 0.00100000 F 0.09995181 0.00066667 F 0.29933226 0.09995181 0.25012864 0.01000000 F 0.06863672 0.00666667 F Cartesian 2369.5382000000013 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-1.080603 -1.026266 -1.025500 Rho 0.3190795E+03 3,-3 15 3 -3 0.953956 0.926606 -0.969805 Rho 0.3190217E+03 3,-3 16 3 -3 -1.007025 0.957623 0.979037 Rho 0.3190195E+03 3,-3 17 3 -3 -3.005559 -1.093352 1.159939 Rho 0.3188698E+03 3,-3 18 3 -3 3.063876 -1.141122 -1.129863 Rho 0.3188492E+03 3,-3 19 3 -3 -3.053031 1.193857 -1.088300 Rho 0.3192196E+03 3,-3 20 3 -3 3.016160 1.162047 1.172120 Rho 0.3188683E+03 3,-3 21 3 -3 1.330371 -1.222602 -3.079018 Rho 0.3187366E+03 3,-3 22 3 -3 1.135165 1.147770 2.959038 Rho 0.3189407E+03 3,-3 23 3 -3 -1.171245 1.120557 -2.968143 Rho 0.3189724E+03 3,-3 24 3 -3 -1.155438 -1.135398 3.039939 Rho 0.3188770E+03 3,-3 25 3 -3 -1.136621 3.027451 -1.111702 Rho 0.3190077E+03 3,-3 26 3 -3 -1.208535 -2.970565 1.214384 Rho 0.3188723E+03 3,-3 27 3 -3 1.173508 3.043524 1.149451 Rho 0.3189321E+03 3,-3 28 3 -3 1.195971 -3.063804 -1.157520 Rho 0.3191478E+03 3,-3 29 3 -3 3.362016 -1.498505 1.543246 Rho 0.3189929E+03 3,-3 30 3 -3 -3.464588 -1.579078 -1.550675 Rho 0.3189876E+03 3,-3 31 3 -3 3.429386 1.513248 -1.471795 Rho 0.3189636E+03 3,-3 32 3 -3 -3.421692 1.554673 1.612826 Rho 0.3190197E+03 3,-3 33 3 -3 1.460390 -1.500155 3.440939 Rho 0.3189476E+03 3,-3 34 3 -3 1.531257 1.462427 -3.401955 Rho 0.3190193E+03 3,-3 35 3 -3 -1.497153 1.523202 3.472034 Rho 0.3190169E+03 3,-3 36 3 -3 -1.827426 -1.456225 -3.830353 Rho 0.3194587E+03 3,-3 37 3 -3 -1.598096 -3.669642 -1.269265 Rho 0.3187365E+03 3,-3 38 3 -3 -1.483175 3.422044 1.561766 Rho 0.3191325E+03 3,-3 39 3 -3 1.500289 -3.425908 1.546563 Rho 0.3189493E+03 3,-3 40 3 -3 1.529466 3.372463 -1.515997 Rho 0.3190263E+03 3,-3 41 3 -3 -0.226919 -3.764929 3.757149 Rho 0.3193340E+03 3,-3 42 3 -3 3.862272 -0.116494 -3.733843 Rho 0.3193213E+03 3,-3 43 3 -3 -0.225840 3.695058 -3.725541 Rho 0.3194799E+03 3,-3 44 3 -3 0.246185 3.767203 3.771502 Rho 0.3194648E+03 3,-3 45 3 -3 3.740395 -3.776788 -0.207987 Rho 0.3192952E+03 3,-3 46 3 -3 3.757119 3.753255 0.225796 Rho 0.3193379E+03 3,-3 47 3 -3 -3.780480 3.751842 -0.189381 Rho 0.3194424E+03 3,-3 48 3 -3 -3.896794 -3.621950 0.282684 Rho 0.3193425E+03 3,-3 49 3 -3 -3.874360 0.330912 -3.634770 Rho 0.3194234E+03 3,-3 50 3 -3 -3.721625 -0.204556 3.799687 Rho 0.3193363E+03 3,-3 51 3 -3 3.714466 0.189323 3.777838 Rho 0.3193250E+03 3,-3 52 3 -3 1.129518 -1.949995 -2.409409 Rho 0.4273822E+00 3,-3 53 3 -3 -0.627402 -3.440084 -1.282925 Rho 0.4397827E+00 3,-3 54 3 +1 -2.198500 1.359199 1.127609 Rho 0.2796528E-01 |GRAD(Rho)| 0.6090271E-14 GRAD(Rho)x -0.4288823E-14 GRAD(Rho)y -0.4185017E-14 GRAD(Rho)z -0.1087672E-14 Laplacian 0.1115518E+00 (-1/4)Del**2(Rho)) -0.2788795E-01 Diamond 0.1681445E-01 Metallicity 0.1591604E+01 Ellipticity -0.3731081E+01 Gb(Abramov) 0.2598973E-01 Vb(Abramov) -0.2409151E-01 Hb(Abramov) 0.1898220E-02 Ex_ueg -0.6269178E-02 Ec_ueg -0.1239140E-02 Delta_ex -0.7129831E-02 Delta_ec 0.1857768E-02 Delta_et -0.1685556E-01 Pxc 0.5059299E+01 Qxc -0.3837849E+01 3,+1 55 3 +1 1.665609 -0.560139 -0.532797 Rho 0.8320247E-02 |GRAD(Rho)| 0.1648220E-16 GRAD(Rho)x -0.6769716E-17 GRAD(Rho)y -0.1368423E-17 GRAD(Rho)z 0.1496533E-16 Laplacian 0.3279270E-01 (-1/4)Del**2(Rho)) -0.8198176E-02 Diamond 0.8164728E-03 Metallicity 0.7178984E+00 Ellipticity -0.1392041E+01 Gb(Abramov) 0.6446360E-02 Vb(Abramov) -0.4694544E-02 Hb(Abramov) 0.1751816E-02 Ex_ueg -0.1245183E-02 Ec_ueg -0.2924806E-03 Delta_ex -0.1475063E-02 Delta_ec 0.4425836E-03 Delta_et -0.3014876E-02 Pxc 0.4257319E+01 Qxc -0.3332846E+01 3,+1 56 3 +1 -2.916298 0.218254 0.209742 Rho 0.5884500E-02 |GRAD(Rho)| 0.2301034E-15 GRAD(Rho)x 0.2401799E-16 GRAD(Rho)y 0.2279586E-15 GRAD(Rho)z -0.2013899E-16 Laplacian 0.2449722E-01 (-1/4)Del**2(Rho)) -0.6124304E-02 Diamond 0.6958446E-03 Metallicity 0.5395260E+00 Ellipticity -0.3654904E+01 Gb(Abramov) 0.4633573E-02 Vb(Abramov) -0.3142842E-02 Hb(Abramov) 0.1490731E-02 Ex_ueg -0.7846292E-03 Ec_ueg -0.1851728E-03 Delta_ex -0.1245872E-02 Delta_ec 0.7509109E-03 Delta_et -0.4290272E-02 Pxc 0.4237281E+01 Qxc -0.1659147E+01 3,+1 57 3 +1 -1.738102 0.500201 -0.561280 Rho 0.8950496E-02 |GRAD(Rho)| 0.8728011E-17 GRAD(Rho)x -0.6274383E-17 GRAD(Rho)y 0.5566317E-17 GRAD(Rho)z -0.2413796E-17 Laplacian 0.3388432E-01 (-1/4)Del**2(Rho)) -0.8471079E-02 Diamond 0.1020466E-02 Metallicity 0.7846807E+00 Ellipticity -0.1589313E+01 Gb(Abramov) 0.6755235E-02 Vb(Abramov) -0.5039390E-02 Hb(Abramov) 0.1715844E-02 Ex_ueg -0.1372507E-02 Ec_ueg -0.3206894E-03 Delta_ex -0.1590613E-02 Delta_ec 0.5248048E-03 Delta_et -0.3585500E-02 Pxc 0.4279863E+01 Qxc -0.3030865E+01 3,+1 58 3 +1 -1.974941 2.009419 2.022526 Rho 0.1208836E-01 |GRAD(Rho)| 0.2214979E-16 GRAD(Rho)x -0.1815940E-16 GRAD(Rho)y -0.1622252E-17 GRAD(Rho)z -0.1257847E-16 Laplacian 0.5629363E-01 (-1/4)Del**2(Rho)) -0.1407341E-01 Diamond 0.1672383E-02 Metallicity 0.7794102E+00 Ellipticity -0.1046120E+01 Gb(Abramov) 0.1121043E-01 Vb(Abramov) -0.8347455E-02 Hb(Abramov) 0.2862976E-02 Ex_ueg -0.2048998E-02 Ec_ueg -0.4636494E-03 Delta_ex -0.2598991E-02 Delta_ec 0.4210104E-03 Delta_et -0.3399591E-02 Pxc 0.4419282E+01 Qxc -0.6173223E+01 3,+1 59 3 +1 -0.591057 0.504125 -1.646491 Rho 0.9366949E-02 |GRAD(Rho)| 0.2360597E-16 GRAD(Rho)x 0.1902323E-16 GRAD(Rho)y 0.1378309E-16 GRAD(Rho)z 0.2320566E-17 Laplacian 0.3598388E-01 (-1/4)Del**2(Rho)) -0.8995970E-02 Diamond 0.1136431E-02 Metallicity 0.7970804E+00 Ellipticity -0.1569919E+01 Gb(Abramov) 0.7192399E-02 Vb(Abramov) -0.5388827E-02 Hb(Abramov) 0.1803571E-02 Ex_ueg -0.1458308E-02 Ec_ueg -0.3394248E-03 Delta_ex -0.1701865E-02 Delta_ec 0.5454602E-03 Delta_et -0.3779863E-02 Pxc 0.4296410E+01 Qxc -0.3120054E+01 3,+1 60 3 -1 -3.310691 -3.111980 0.103271 Rho 0.2448094E+00 |GRAD(Rho)| 0.4052395E-14 GRAD(Rho)x -0.3362545E-14 GRAD(Rho)y -0.2128289E-15 GRAD(Rho)z -0.2251644E-14 Laplacian 0.9132226E+00 (-1/4)Del**2(Rho)) -0.2283056E+00 Diamond 0.3285138E+01 Metallicity 0.7229085E+01 Ellipticity 0.2037423E-02 Gb(Abramov) 0.4272772E+00 Vb(Abramov) -0.6262488E+00 Hb(Abramov) -0.1989716E+00 Ex_ueg -0.1131069E+00 Ec_ueg -0.1477221E-01 Delta_ex -0.1107919E+00 Delta_ec 0.1984452E-01 Delta_et -0.2740992E+00 Pxc 0.7656738E+01 Qxc -0.5582996E+01 3,-1 61 3 -1 -2.759414 -0.520680 1.829769 Rho 0.1369360E+00 |GRAD(Rho)| 0.5891022E-13 GRAD(Rho)x -0.4165156E-13 GRAD(Rho)y -0.7254370E-14 GRAD(Rho)z 0.4102359E-13 Laplacian 0.5714143E+00 (-1/4)Del**2(Rho)) -0.1428536E+00 Diamond 0.1039737E+01 Metallicity 0.4387241E+01 Ellipticity 0.7696397E-02 Gb(Abramov) 0.1996912E+00 Vb(Abramov) -0.2565289E+00 Hb(Abramov) -0.5683765E-01 Ex_ueg -0.5212851E-01 Ec_ueg -0.7612550E-02 Delta_ex -0.6003396E-01 Delta_ec 0.1486232E-01 Delta_et -0.1952924E+00 Pxc 0.6847706E+01 Qxc -0.4039341E+01 3,-1 62 3 -1 -3.050553 -2.005155 -0.878298 Rho 0.1532204E+00 |GRAD(Rho)| 0.5485940E-09 GRAD(Rho)x -0.2315257E-09 GRAD(Rho)y 0.2723920E-09 GRAD(Rho)z -0.4161175E-09 Laplacian 0.5978106E+00 (-1/4)Del**2(Rho)) -0.1494526E+00 Diamond 0.1249280E+01 Metallicity 0.5057206E+01 Ellipticity 0.6527833E-01 Gb(Abramov) 0.2256039E+00 Vb(Abramov) -0.3017552E+00 Hb(Abramov) -0.7615126E-01 Ex_ueg -0.6055369E-01 Ec_ueg -0.8649986E-02 Delta_ex -0.6459885E-01 Delta_ec 0.1520032E-01 Delta_et -0.2032049E+00 Pxc 0.7000438E+01 Qxc -0.4249835E+01 3,-1 63 3 +1 0.189287 2.945334 -0.158288 Rho 0.5602005E-02 |GRAD(Rho)| 0.4685098E-16 GRAD(Rho)x 0.3527610E-16 GRAD(Rho)y 0.1194592E-17 GRAD(Rho)z -0.3080883E-16 Laplacian 0.2320169E-01 (-1/4)Del**2(Rho)) -0.5800424E-02 Diamond 0.6171796E-03 Metallicity 0.5248066E+00 Ellipticity -0.2964647E+01 Gb(Abramov) 0.4374299E-02 Vb(Abramov) -0.2948175E-02 Hb(Abramov) 0.1426124E-02 Ex_ueg -0.7348122E-03 Ec_ueg -0.1729108E-03 Delta_ex -0.1168785E-02 Delta_ec 0.7117069E-03 Delta_et -0.4006778E-02 Pxc 0.4249660E+01 Qxc -0.1642227E+01 3,+1 64 3 +3 -1.188868 1.107333 -1.109132 Rho 0.5258659E-02 |GRAD(Rho)| 0.6811078E-14 GRAD(Rho)x -0.4209181E-14 GRAD(Rho)y 0.2184689E-14 GRAD(Rho)z 0.4888835E-14 Laplacian 0.2013745E-01 (-1/4)Del**2(Rho)) -0.5034363E-02 Diamond 0.1474499E-03 Metallicity 0.5441689E+00 Ellipticity -0.3053700E+00 Gb(Abramov) 0.3812833E-02 Vb(Abramov) -0.2591302E-02 Hb(Abramov) 0.1221530E-02 Ex_ueg -0.6753856E-03 Ec_ueg -0.1580609E-03 Delta_ex -0.7027481E-03 Delta_ec 0.8368206E-04 Delta_et -0.6826265E-03 Pxc 0.4272945E+01 Qxc -0.8397834E+01 3,+3 65 3 -1 -3.024758 1.985848 0.891008 Rho 0.1292883E+00 |GRAD(Rho)| 0.9195721E-12 GRAD(Rho)x -0.3457269E-12 GRAD(Rho)y -0.4512867E-12 GRAD(Rho)z 0.7227905E-12 Laplacian 0.4953252E+00 (-1/4)Del**2(Rho)) -0.1238313E+00 Diamond 0.8388261E+00 Metallicity 0.4598907E+01 Ellipticity 0.4150313E-01 Gb(Abramov) 0.1774690E+00 Vb(Abramov) -0.2311066E+00 Hb(Abramov) -0.5363767E-01 Ex_ueg -0.4828333E-01 Ec_ueg -0.7131163E-02 Delta_ex -0.5129367E-01 Delta_ec 0.1301174E-01 Delta_et -0.1693250E+00 Pxc 0.6770751E+01 Qxc -0.3942108E+01 3,-1 66 3 -1 -1.783290 1.690604 0.521330 Rho 0.4431994E-01 |GRAD(Rho)| 0.1772343E-13 GRAD(Rho)x -0.1587027E-13 GRAD(Rho)y 0.7796894E-14 GRAD(Rho)z -0.1209589E-14 Laplacian 0.1827970E+00 (-1/4)Del**2(Rho)) -0.4569925E-01 Diamond 0.8044380E-01 Metallicity 0.2092390E+01 Ellipticity 0.6932125E-02 Gb(Abramov) 0.4640294E-01 Vb(Abramov) -0.4710663E-01 Hb(Abramov) -0.7036929E-03 Ex_ueg -0.1158379E-01 Ec_ueg -0.2103394E-02 Delta_ex -0.1468906E-01 Delta_ec 0.5613227E-02 Delta_et -0.5736931E-01 Pxc 0.5507189E+01 Qxc -0.2616866E+01 3,-1 67 3 -1 -3.242765 3.163041 -0.062166 Rho 0.2295126E+00 |GRAD(Rho)| 0.5070775E-12 GRAD(Rho)x 0.3351666E-12 GRAD(Rho)y -0.3715553E-12 GRAD(Rho)z 0.8208294E-13 Laplacian 0.8325453E+00 (-1/4)Del**2(Rho)) -0.2081363E+00 Diamond 0.2792806E+01 Metallicity 0.7121138E+01 Ellipticity 0.9774793E-02 Gb(Abramov) 0.3857855E+00 Vb(Abramov) -0.5634346E+00 Hb(Abramov) -0.1776491E+00 Ex_ueg -0.1037832E+00 Ec_ueg -0.1371716E-01 Delta_ex -0.9943829E-01 Delta_ec 0.1865926E-01 Delta_et -0.2581062E+00 Pxc 0.7565938E+01 Qxc -0.5329164E+01 3,-1 68 3 -1 -2.839122 1.794020 -0.541700 Rho 0.1927363E+00 |GRAD(Rho)| 0.2951151E-15 GRAD(Rho)x 0.1967691E-15 GRAD(Rho)y 0.1885157E-15 GRAD(Rho)z 0.1132991E-15 Laplacian 0.7744066E+00 (-1/4)Del**2(Rho)) -0.1936017E+00 Diamond 0.2071091E+01 Metallicity 0.5722468E+01 Ellipticity 0.2803769E-01 Gb(Abramov) 0.3137143E+00 Vb(Abramov) -0.4338270E+00 Hb(Abramov) -0.1201127E+00 Ex_ueg -0.8222486E-01 Ec_ueg -0.1123341E-01 Delta_ex -0.8818596E-01 Delta_ec 0.1778417E-01 Delta_et -0.2416544E+00 Pxc 0.7319673E+01 Qxc -0.4958676E+01 3,-1 69 3 +1 -1.774062 -1.702576 1.781064 Rho 0.1255029E-01 |GRAD(Rho)| 0.7129745E-15 GRAD(Rho)x -0.5576043E-15 GRAD(Rho)y 0.1478468E-15 GRAD(Rho)z -0.4189884E-15 Laplacian 0.6321094E-01 (-1/4)Del**2(Rho)) -0.1580273E-01 Diamond 0.2655301E-02 Metallicity 0.7388858E+00 Ellipticity -0.1247409E+01 Gb(Abramov) 0.1248123E-01 Vb(Abramov) -0.9159716E-02 Hb(Abramov) 0.3321509E-02 Ex_ueg -0.2154055E-02 Ec_ueg -0.4850316E-03 Delta_ex -0.3133712E-02 Delta_ec 0.8018816E-03 Delta_et -0.6092872E-02 Pxc 0.4441061E+01 Qxc -0.3907948E+01 3,+1 70 3 +1 -2.238658 -1.120461 -1.465899 Rho 0.3000793E-01 |GRAD(Rho)| 0.3068013E-16 GRAD(Rho)x -0.2192550E-16 GRAD(Rho)y -0.1375932E-16 GRAD(Rho)z -0.1646888E-16 Laplacian 0.1229047E+00 (-1/4)Del**2(Rho)) -0.3072617E-01 Diamond 0.1962606E-01 Metallicity 0.1624693E+01 Ellipticity -0.3033099E+01 Gb(Abramov) 0.2880422E-01 Vb(Abramov) -0.2688226E-01 Hb(Abramov) 0.1921958E-02 Ex_ueg -0.6887047E-02 Ec_ueg -0.1344016E-02 Delta_ex -0.7939270E-02 Delta_ec 0.1926651E-02 Delta_et -0.1778539E-01 Pxc 0.5124230E+01 Qxc -0.4120761E+01 3,+1 71 3 +1 -2.919298 -0.254617 -0.309016 Rho 0.5391092E-02 |GRAD(Rho)| 0.6576973E-17 GRAD(Rho)x -0.5379567E-18 GRAD(Rho)y -0.3324599E-17 GRAD(Rho)z 0.5649266E-17 Laplacian 0.2232767E-01 (-1/4)Del**2(Rho)) -0.5581916E-02 Diamond 0.4124144E-03 Metallicity 0.5115614E+00 Ellipticity -0.1393178E+01 Gb(Abramov) 0.4197193E-02 Vb(Abramov) -0.2812470E-02 Hb(Abramov) 0.1384723E-02 Ex_ueg -0.6981586E-03 Ec_ueg -0.1637817E-03 Delta_ex -0.9889186E-03 Delta_ec 0.4575322E-03 Delta_et -0.2639955E-02 Pxc 0.4262738E+01 Qxc -0.2161419E+01 3,+1 72 3 -1 -2.807683 -1.755704 0.570793 Rho 0.1401544E+00 |GRAD(Rho)| 0.1639933E-15 GRAD(Rho)x 0.1029958E-15 GRAD(Rho)y -0.4832831E-16 GRAD(Rho)z 0.1181103E-15 Laplacian 0.5895240E+00 (-1/4)Del**2(Rho)) -0.1473810E+00 Diamond 0.1098967E+01 Metallicity 0.4420347E+01 Ellipticity 0.1115762E-01 Gb(Abramov) 0.2068332E+00 Vb(Abramov) -0.2662854E+00 Hb(Abramov) -0.5945218E-01 Ex_ueg -0.5376844E-01 Ec_ueg -0.7816265E-02 Delta_ex -0.6224284E-01 Delta_ec 0.1516770E-01 Delta_et -0.1998490E+00 Pxc 0.6879045E+01 Qxc -0.4103644E+01 3,-1 73 3 -1 -2.930538 0.128759 0.113064 Rho 0.5894350E-02 |GRAD(Rho)| 0.1541379E-17 GRAD(Rho)x -0.2200745E-18 GRAD(Rho)y 0.1523863E-17 GRAD(Rho)z -0.7249370E-19 Laplacian 0.2389401E-01 (-1/4)Del**2(Rho)) -0.5973503E-02 Diamond 0.7872743E-03 Metallicity 0.5546903E+00 Ellipticity 0.2693538E+01 Gb(Abramov) 0.4534576E-02 Vb(Abramov) -0.3095649E-02 Hb(Abramov) 0.1438927E-02 Ex_ueg -0.7863808E-03 Ec_ueg -0.1856010E-03 Delta_ex -0.1295407E-02 Delta_ec 0.8749108E-03 Delta_et -0.4943336E-02 Pxc 0.4236942E+01 Qxc -0.1480617E+01 3,-1 74 3 +1 -1.692456 -0.537044 0.527019 Rho 0.1012835E-01 |GRAD(Rho)| 0.9059315E-17 GRAD(Rho)x -0.1077267E-17 GRAD(Rho)y -0.7683747E-17 GRAD(Rho)z -0.4676614E-17 Laplacian 0.3869850E-01 (-1/4)Del**2(Rho)) -0.9674625E-02 Diamond 0.1286359E-02 Metallicity 0.8442747E+00 Ellipticity -0.1538986E+01 Gb(Abramov) 0.7811090E-02 Vb(Abramov) -0.5947555E-02 Hb(Abramov) 0.1863535E-02 Ex_ueg -0.1618466E-02 Ec_ueg -0.3738716E-03 Delta_ex -0.1840220E-02 Delta_ec 0.5392231E-03 Delta_et -0.3847068E-02 Pxc 0.4328934E+01 Qxc -0.3412725E+01 3,+1 75 3 +3 -1.130882 -1.109854 1.160601 Rho 0.5610488E-02 |GRAD(Rho)| 0.1477759E-14 GRAD(Rho)x 0.2061023E-15 GRAD(Rho)y -0.1136871E-14 GRAD(Rho)z -0.9213135E-15 Laplacian 0.2191259E-01 (-1/4)Del**2(Rho)) -0.5478149E-02 Diamond 0.1729387E-03 Metallicity 0.5570837E+00 Ellipticity -0.1538976E+00 Gb(Abramov) 0.4160730E-02 Vb(Abramov) -0.2843312E-02 Hb(Abramov) 0.1317418E-02 Ex_ueg -0.7362963E-03 Ec_ueg -0.1732785E-03 Delta_ex -0.7767674E-03 Delta_ec 0.8760297E-04 Delta_et -0.7325259E-03 Pxc 0.4249208E+01 Qxc -0.8866907E+01 3,+3 76 3 -1 -2.997250 -0.966028 -2.099574 Rho 0.1199462E+00 |GRAD(Rho)| 0.1014122E-15 GRAD(Rho)x 0.2701019E-16 GRAD(Rho)y -0.5507069E-16 GRAD(Rho)z 0.8075951E-16 Laplacian 0.4521081E+00 (-1/4)Del**2(Rho)) -0.1130270E+00 Diamond 0.7063061E+00 Metallicity 0.4446467E+01 Ellipticity 0.3519253E-01 Gb(Abramov) 0.1591132E+00 Vb(Abramov) -0.2051993E+00 Hb(Abramov) -0.4608615E-01 Ex_ueg -0.4368850E-01 Ec_ueg -0.6548422E-02 Delta_ex -0.4607347E-01 Delta_ec 0.1224855E-01 Delta_et -0.1576552E+00 Pxc 0.6671606E+01 Qxc -0.3761544E+01 3,-1 77 3 -1 -0.261455 -1.294500 -3.402748 Rho 0.4575264E-02 |GRAD(Rho)| 0.3533121E-15 GRAD(Rho)x -0.2964654E-15 GRAD(Rho)y -0.1288363E-15 GRAD(Rho)z -0.1426147E-15 Laplacian 0.1771957E-01 (-1/4)Del**2(Rho)) -0.4429893E-02 Diamond 0.5663834E-03 Metallicity 0.4903658E+00 Ellipticity 0.1712811E+00 Gb(Abramov) 0.3315307E-02 Vb(Abramov) -0.2200721E-02 Hb(Abramov) 0.1114586E-02 Ex_ueg -0.5609704E-03 Ec_ueg -0.1286807E-03 Delta_ex -0.1074804E-02 Delta_ec 0.9305278E-03 Delta_et -0.4768531E-02 Pxc 0.4359398E+01 Qxc -0.1155048E+01 3,-1 78 3 +1 -0.563001 1.646321 -0.529582 Rho 0.8715440E-02 |GRAD(Rho)| 0.7004407E-15 GRAD(Rho)x 0.5212378E-16 GRAD(Rho)y -0.4580513E-15 GRAD(Rho)z 0.5273417E-15 Laplacian 0.3345738E-01 (-1/4)Del**2(Rho)) -0.8364346E-02 Diamond 0.9026687E-03 Metallicity 0.7602155E+00 Ellipticity -0.1456539E+01 Gb(Abramov) 0.6636015E-02 Vb(Abramov) -0.4907684E-02 Hb(Abramov) 0.1728331E-02 Ex_ueg -0.1324659E-02 Ec_ueg -0.3101482E-03 Delta_ex -0.1529600E-02 Delta_ec 0.4635961E-03 Delta_et -0.3185365E-02 Pxc 0.4271053E+01 Qxc -0.3299424E+01 3,+1 79 3 +3 -2.368799 -0.005610 -0.047382 Rho 0.5044262E-02 |GRAD(Rho)| 0.4695915E-16 GRAD(Rho)x 0.2855698E-16 GRAD(Rho)y -0.1478060E-16 GRAD(Rho)z -0.3422272E-16 Laplacian 0.2060674E-01 (-1/4)Del**2(Rho)) -0.5151685E-02 Diamond 0.2131215E-03 Metallicity 0.4961350E+00 Ellipticity -0.5460130E+00 Gb(Abramov) 0.3860445E-02 Vb(Abramov) -0.2569206E-02 Hb(Abramov) 0.1291240E-02 Ex_ueg -0.6389230E-03 Ec_ueg -0.1488181E-03 Delta_ex -0.7756113E-03 Delta_ec 0.2013237E-03 Delta_et -0.1277028E-02 Pxc 0.4293317E+01 Qxc -0.3852558E+01 3,+3 80 3 -1 -2.783300 0.480880 -1.871917 Rho 0.5653429E-01 |GRAD(Rho)| 0.4856421E-13 GRAD(Rho)x -0.3647169E-13 GRAD(Rho)y -0.9868794E-15 GRAD(Rho)z 0.3205191E-13 Laplacian 0.2371645E+00 (-1/4)Del**2(Rho)) -0.5929113E-01 Diamond 0.1475058E+00 Metallicity 0.2419636E+01 Ellipticity 0.9605346E-02 Gb(Abramov) 0.6343792E-01 Vb(Abramov) -0.6758470E-01 Hb(Abramov) -0.4146782E-02 Ex_ueg -0.1602511E-01 Ec_ueg -0.2779127E-02 Delta_ex -0.2033631E-01 Delta_ec 0.7414865E-02 Delta_et -0.8085134E-01 Pxc 0.5766239E+01 Qxc -0.2742641E+01 3,-1 81 3 +1 0.310293 -1.597238 -1.654525 Rho 0.6370838E-02 |GRAD(Rho)| 0.4910051E-17 GRAD(Rho)x 0.3354386E-17 GRAD(Rho)y 0.3580348E-17 GRAD(Rho)z -0.1944457E-18 Laplacian 0.2535254E-01 (-1/4)Del**2(Rho)) -0.6338136E-02 Diamond 0.6584700E-03 Metallicity 0.5950944E+00 Ellipticity -0.1932757E+01 Gb(Abramov) 0.4854056E-02 Vb(Abramov) -0.3369975E-02 Hb(Abramov) 0.1484080E-02 Ex_ueg -0.8722624E-03 Ec_ueg -0.2063743E-03 Delta_ex -0.1213999E-02 Delta_ec 0.6055829E-03 Delta_et -0.3611643E-02 Pxc 0.4226604E+01 Qxc -0.2004678E+01 3,+1 82 3 -1 -1.962871 0.872494 3.044310 Rho 0.1462014E+00 |GRAD(Rho)| 0.1164136E-12 GRAD(Rho)x -0.3326117E-13 GRAD(Rho)y 0.1114244E-12 GRAD(Rho)z 0.5514849E-14 Laplacian 0.5736380E+00 (-1/4)Del**2(Rho)) -0.1434095E+00 Diamond 0.1130527E+01 Metallicity 0.4874102E+01 Ellipticity 0.4611248E-01 Gb(Abramov) 0.2121051E+00 Vb(Abramov) -0.2808007E+00 Hb(Abramov) -0.6869559E-01 Ex_ueg -0.5688362E-01 Ec_ueg -0.8200796E-02 Delta_ex -0.6125098E-01 Delta_ec 0.1470826E-01 Delta_et -0.1952233E+00 Pxc 0.6936354E+01 Qxc -0.4164393E+01 3,-1 83 3 -1 -2.052398 -3.110495 -0.714768 Rho 0.1492209E+00 |GRAD(Rho)| 0.3119645E-15 GRAD(Rho)x 0.2121242E-15 GRAD(Rho)y -0.1889629E-15 GRAD(Rho)z -0.1289116E-15 Laplacian 0.5548547E+00 (-1/4)Del**2(Rho)) -0.1387137E+00 Diamond 0.1145790E+01 Metallicity 0.5213747E+01 Ellipticity 0.1179333E+00 Gb(Abramov) 0.2130121E+00 Vb(Abramov) -0.2873106E+00 Hb(Abramov) -0.7429844E-01 Ex_ueg -0.5845539E-01 Ec_ueg -0.8393659E-02 Delta_ex -0.5979471E-01 Delta_ec 0.1460454E-01 Delta_et -0.1954378E+00 Pxc 0.6964233E+01 Qxc -0.4094255E+01 3,-1 84 3 -1 -1.868026 -2.738629 0.593471 Rho 0.1246379E+00 |GRAD(Rho)| 0.2876025E-15 GRAD(Rho)x 0.2004690E-15 GRAD(Rho)y 0.4164353E-16 GRAD(Rho)z 0.2019733E-15 Laplacian 0.5187717E+00 (-1/4)Del**2(Rho)) -0.1296929E+00 Diamond 0.8462990E+00 Metallicity 0.4130988E+01 Ellipticity 0.2326965E-01 Gb(Abramov) 0.1757553E+00 Vb(Abramov) -0.2218176E+00 Hb(Abramov) -0.4606234E-01 Ex_ueg -0.4598174E-01 Ec_ueg -0.6840341E-02 Delta_ex -0.5332217E-01 Delta_ec 0.1387428E-01 Delta_et -0.1796805E+00 Pxc 0.6722141E+01 Qxc -0.3843238E+01 3,-1 85 3 -1 -1.811489 -1.727059 -0.550211 Rho 0.5505246E-01 |GRAD(Rho)| 0.5496765E-13 GRAD(Rho)x -0.3596690E-13 GRAD(Rho)y -0.3730688E-13 GRAD(Rho)z 0.1833090E-13 Laplacian 0.2205488E+00 (-1/4)Del**2(Rho)) -0.5513720E-01 Diamond 0.1268964E+00 Metallicity 0.2489257E+01 Ellipticity 0.1812730E-01 Gb(Abramov) 0.5963324E-01 Vb(Abramov) -0.6412928E-01 Hb(Abramov) -0.4496039E-02 Ex_ueg -0.1546752E-01 Ec_ueg -0.2696001E-02 Delta_ex -0.1858051E-01 Delta_ec 0.6530304E-02 Delta_et -0.7058612E-01 Pxc 0.5737208E+01 Qxc -0.2845275E+01 3,-1 86 3 +1 -0.209003 2.967473 0.244118 Rho 0.5457312E-02 |GRAD(Rho)| 0.1349115E-13 GRAD(Rho)x -0.1098786E-13 GRAD(Rho)y 0.2745851E-14 GRAD(Rho)z 0.7330643E-14 Laplacian 0.2276416E-01 (-1/4)Del**2(Rho)) -0.5691040E-02 Diamond 0.5207771E-03 Metallicity 0.5120662E+00 Ellipticity -0.1898664E+01 Gb(Abramov) 0.4279725E-02 Vb(Abramov) -0.2868410E-02 Hb(Abramov) 0.1411315E-02 Ex_ueg -0.7096160E-03 Ec_ueg -0.1666456E-03 Delta_ex -0.1088098E-02 Delta_ec 0.6041411E-03 Delta_et -0.3413364E-02 Pxc 0.4258235E+01 Qxc -0.1801066E+01 3,+1 87 3 +1 -1.771987 1.732819 -1.710499 Rho 0.1114404E-01 |GRAD(Rho)| 0.2077036E-16 GRAD(Rho)x -0.1623234E-16 GRAD(Rho)y -0.1146977E-16 GRAD(Rho)z 0.6030211E-17 Laplacian 0.5424306E-01 (-1/4)Del**2(Rho)) -0.1356077E-01 Diamond 0.2007670E-02 Metallicity 0.7063290E+00 Ellipticity -0.1287017E+01 Gb(Abramov) 0.1063690E-01 Vb(Abramov) -0.7713043E-02 Hb(Abramov) 0.2923861E-02 Ex_ueg -0.1838409E-02 Ec_ueg -0.4202007E-03 Delta_ex -0.2628859E-02 Delta_ec 0.7290089E-03 Delta_et -0.5348078E-02 Pxc 0.4375074E+01 Qxc -0.3606073E+01 3,+1 88 3 +3 2.289280 -0.024314 0.040515 Rho 0.4450257E-02 |GRAD(Rho)| 0.2011634E-15 GRAD(Rho)x -0.1457850E-15 GRAD(Rho)y 0.9104409E-16 GRAD(Rho)z -0.1045200E-15 Laplacian 0.1823222E-01 (-1/4)Del**2(Rho)) -0.4558055E-02 Diamond 0.1437878E-03 Metallicity 0.4550742E+00 Ellipticity -0.2656143E+00 Gb(Abramov) 0.3384412E-02 Vb(Abramov) -0.2210769E-02 Hb(Abramov) 0.1173643E-02 Ex_ueg -0.5406280E-03 Ec_ueg -0.1233324E-03 Delta_ex -0.6481468E-03 Delta_ec 0.1485208E-03 Delta_et -0.9528245E-03 Pxc 0.4383504E+01 Qxc -0.4364014E+01 3,+3 89 3 +3 -1.943337 1.976846 1.988029 Rho 0.1208597E-01 |GRAD(Rho)| 0.1527303E-16 GRAD(Rho)x 0.1075455E-16 GRAD(Rho)y 0.1083580E-16 GRAD(Rho)z -0.4365498E-18 Laplacian 0.5601277E-01 (-1/4)Del**2(Rho)) -0.1400319E-01 Diamond 0.1517572E-02 Metallicity 0.7830603E+00 Ellipticity -0.9469391E+00 Gb(Abramov) 0.1116302E-01 Vb(Abramov) -0.8322846E-02 Hb(Abramov) 0.2840174E-02 Ex_ueg -0.2048458E-02 Ec_ueg -0.4635391E-03 Delta_ex -0.2544086E-02 Delta_ec 0.3442901E-03 Delta_et -0.2879126E-02 Pxc 0.4419169E+01 Qxc -0.7389367E+01 3,+3 90 3 -1 -1.836648 2.755508 -0.544594 Rho 0.1187353E+00 |GRAD(Rho)| 0.5151674E-16 GRAD(Rho)x 0.1143833E-16 GRAD(Rho)y 0.4820295E-16 GRAD(Rho)z 0.1412851E-16 Laplacian 0.4857860E+00 (-1/4)Del**2(Rho)) -0.1214465E+00 Diamond 0.7399126E+00 Metallicity 0.4068813E+01 Ellipticity 0.5426016E-02 Gb(Abramov) 0.1633215E+00 Vb(Abramov) -0.2051965E+00 Hb(Abramov) -0.4187502E-01 Ex_ueg -0.4310140E-01 Ec_ueg -0.6473326E-02 Delta_ex -0.4925293E-01 Delta_ec 0.1295388E-01 Delta_et -0.1660532E+00 Pxc 0.6658309E+01 Qxc -0.3802177E+01 3,-1 91 3 +1 -1.402955 2.170234 1.088140 Rho 0.2591162E-01 |GRAD(Rho)| 0.3433842E-14 GRAD(Rho)x -0.2612031E-14 GRAD(Rho)y 0.1285038E-14 GRAD(Rho)z -0.1821330E-14 Laplacian 0.1023667E+00 (-1/4)Del**2(Rho)) -0.2559167E-01 Diamond 0.1396948E-01 Metallicity 0.1527374E+01 Ellipticity -0.3480743E+01 Gb(Abramov) 0.2357579E-01 Vb(Abramov) -0.2155991E-01 Hb(Abramov) 0.2015881E-02 Ex_ueg -0.5662973E-02 Ec_ueg -0.1134721E-02 Delta_ex -0.6418011E-02 Delta_ec 0.1719391E-02 Delta_et -0.1531419E-01 Pxc 0.4990628E+01 Qxc -0.3732723E+01 3,+1 92 3 +3 -0.003237 2.281311 0.045189 Rho 0.4510438E-02 |GRAD(Rho)| 0.2805670E-16 GRAD(Rho)x -0.1581932E-16 GRAD(Rho)y -0.2036537E-16 GRAD(Rho)z 0.1105348E-16 Laplacian 0.1839481E-01 (-1/4)Del**2(Rho)) -0.4598702E-02 Diamond 0.1486300E-03 Metallicity 0.4612635E+00 Ellipticity -0.3751370E+00 Gb(Abramov) 0.3419337E-02 Vb(Abramov) -0.2239972E-02 Hb(Abramov) 0.1179365E-02 Ex_ueg -0.5503978E-03 Ec_ueg -0.1259062E-03 Delta_ex -0.6571548E-03 Delta_ec 0.1515345E-03 Delta_et -0.9725146E-03 Pxc 0.4371492E+01 Qxc -0.4336668E+01 3,+3 93 3 -1 -2.014107 2.958319 0.855261 Rho 0.9422568E-01 |GRAD(Rho)| 0.1405939E-13 GRAD(Rho)x -0.1130549E-13 GRAD(Rho)y 0.4244811E-14 GRAD(Rho)z -0.7199577E-14 Laplacian 0.3699620E+00 (-1/4)Del**2(Rho)) -0.9249050E-01 Diamond 0.4248168E+00 Metallicity 0.3634167E+01 Ellipticity 0.1182914E-01 Gb(Abramov) 0.1176813E+00 Vb(Abramov) -0.1428721E+00 Hb(Abramov) -0.2519081E-01 Ex_ueg -0.3166728E-01 Ec_ueg -0.4976612E-02 Delta_ex -0.3549621E-01 Delta_ec 0.1033770E-01 Delta_et -0.1267551E+00 Pxc 0.6363220E+01 Qxc -0.3433667E+01 3,-1 94 3 -1 -2.147630 -0.914721 -3.321499 Rho 0.2268484E+00 |GRAD(Rho)| 0.2538103E-15 GRAD(Rho)x 0.6502503E-16 GRAD(Rho)y -0.2394460E-15 GRAD(Rho)z -0.5345117E-16 Laplacian 0.8514869E+00 (-1/4)Del**2(Rho)) -0.2128717E+00 Diamond 0.2796042E+01 Metallicity 0.6828544E+01 Ellipticity 0.1534821E-01 Gb(Abramov) 0.3841818E+00 Vb(Abramov) -0.5554919E+00 Hb(Abramov) -0.1713101E+00 Ex_ueg -0.1021800E+00 Ec_ueg -0.1353472E-01 Delta_ex -0.1012754E+00 Delta_ec 0.1893875E-01 Delta_et -0.2609658E+00 Pxc 0.7549475E+01 Qxc -0.5347524E+01 3,-1 95 3 -1 -1.767877 -0.638761 -1.841206 Rho 0.4842868E-01 |GRAD(Rho)| 0.1218018E-15 GRAD(Rho)x 0.8910151E-16 GRAD(Rho)y -0.5655914E-16 GRAD(Rho)z 0.6080850E-16 Laplacian 0.1996336E+00 (-1/4)Del**2(Rho)) -0.4990840E-01 Diamond 0.1008243E+00 Metallicity 0.2221010E+01 Ellipticity 0.2182853E-01 Gb(Abramov) 0.5174677E-01 Vb(Abramov) -0.5358515E-01 Hb(Abramov) -0.1838379E-02 Ex_ueg -0.1303733E-01 Ec_ueg -0.2328203E-02 Delta_ex -0.1647736E-01 Delta_ec 0.6264759E-02 Delta_et -0.6559197E-01 Pxc 0.5599738E+01 Qxc -0.2630167E+01 3,-1 96 3 +1 -0.191201 0.193212 2.912935 Rho 0.5674573E-02 |GRAD(Rho)| 0.5501695E-17 GRAD(Rho)x -0.3138939E-17 GRAD(Rho)y -0.4516385E-17 GRAD(Rho)z 0.1340786E-18 Laplacian 0.2359284E-01 (-1/4)Del**2(Rho)) -0.5898211E-02 Diamond 0.6079371E-03 Metallicity 0.5272965E+00 Ellipticity -0.2458895E+01 Gb(Abramov) 0.4450492E-02 Vb(Abramov) -0.3002772E-02 Hb(Abramov) 0.1447719E-02 Ex_ueg -0.7475312E-03 Ec_ueg -0.1760570E-03 Delta_ex -0.1167514E-02 Delta_ec 0.6808360E-03 Delta_et -0.3865253E-02 Pxc 0.4245962E+01 Qxc -0.1714824E+01 3,+1 97 3 -1 -1.786961 -0.546599 2.815103 Rho 0.1510081E+00 |GRAD(Rho)| 0.1643672E-12 GRAD(Rho)x -0.1168508E-12 GRAD(Rho)y 0.1150977E-12 GRAD(Rho)z -0.1072437E-13 Laplacian 0.6387317E+00 (-1/4)Del**2(Rho)) -0.1596829E+00 Diamond 0.1298784E+01 Metallicity 0.4619856E+01 Ellipticity 0.1764741E-01 Gb(Abramov) 0.2294073E+00 Vb(Abramov) -0.2991317E+00 Hb(Abramov) -0.6972439E-01 Ex_ueg -0.5939074E-01 Ec_ueg -0.8508079E-02 Delta_ex -0.6864701E-01 Delta_ec 0.1607228E-01 Delta_et -0.2139035E+00 Pxc 0.6980511E+01 Qxc -0.4271143E+01 3,-1 98 3 +1 -0.557682 -0.561248 1.662844 Rho 0.8818926E-02 |GRAD(Rho)| 0.1282543E-16 GRAD(Rho)x 0.3271345E-17 GRAD(Rho)y -0.7656306E-17 GRAD(Rho)z -0.9755556E-17 Laplacian 0.3451428E-01 (-1/4)Del**2(Rho)) -0.8628569E-02 Diamond 0.9325114E-03 Metallicity 0.7515777E+00 Ellipticity -0.1423535E+01 Gb(Abramov) 0.6833219E-02 Vb(Abramov) -0.5037870E-02 Hb(Abramov) 0.1795350E-02 Ex_ueg -0.1345672E-02 Ec_ueg -0.3147861E-03 Delta_ex -0.1576657E-02 Delta_ec 0.4675199E-03 Delta_et -0.3230813E-02 Pxc 0.4274879E+01 Qxc -0.3372385E+01 3,+1 99 3 +1 -0.306036 -0.553871 -2.986454 Rho 0.3257441E-02 |GRAD(Rho)| 0.9086775E-13 GRAD(Rho)x -0.8498897E-13 GRAD(Rho)y 0.2211823E-13 GRAD(Rho)z -0.2333679E-13 Laplacian 0.1281009E-01 (-1/4)Del**2(Rho)) -0.3202522E-02 Diamond 0.1279076E-03 Metallicity 0.3850543E+00 Ellipticity -0.1224302E+01 Gb(Abramov) 0.2340539E-02 Vb(Abramov) -0.1478555E-02 Hb(Abramov) 0.8619831E-03 Ex_ueg -0.3566321E-03 Ec_ueg -0.7271181E-04 Delta_ex -0.5219585E-03 Delta_ec 0.2855421E-03 Delta_et -0.1411586E-02 Pxc 0.4904734E+01 Qxc -0.1827956E+01 3,+1 100 3 +3 -0.099609 -2.405718 -0.103764 Rho 0.4202323E-02 |GRAD(Rho)| 0.1996893E-15 GRAD(Rho)x 0.9491400E-16 GRAD(Rho)y 0.1562297E-15 GRAD(Rho)z 0.8037058E-16 Laplacian 0.1691645E-01 (-1/4)Del**2(Rho)) -0.4229113E-02 Diamond 0.1355371E-03 Metallicity 0.4457790E+00 Ellipticity -0.3209789E+00 Gb(Abramov) 0.3133617E-02 Vb(Abramov) -0.2038121E-02 Hb(Abramov) 0.1095496E-02 Ex_ueg -0.5008461E-03 Ec_ueg -0.1127487E-03 Delta_ex -0.6067104E-03 Delta_ec 0.1631303E-03 Delta_et -0.9925250E-03 Pxc 0.4442146E+01 Qxc -0.3719176E+01 3,+3 101 3 +1 -0.244686 -2.353548 -1.109911 Rho 0.7697865E-02 |GRAD(Rho)| 0.5429657E-16 GRAD(Rho)x -0.4981496E-17 GRAD(Rho)y -0.5352381E-16 GRAD(Rho)z -0.7648737E-17 Laplacian 0.3065828E-01 (-1/4)Del**2(Rho)) -0.7664569E-02 Diamond 0.9058551E-03 Metallicity 0.6745528E+00 Ellipticity -0.1729247E+01 Gb(Abramov) 0.5971406E-02 Vb(Abramov) -0.4278242E-02 Hb(Abramov) 0.1693164E-02 Ex_ueg -0.1122567E-02 Ec_ueg -0.2647987E-03 Delta_ex -0.1466676E-02 Delta_ec 0.6182324E-03 Delta_et -0.3949878E-02 Pxc 0.4239321E+01 Qxc -0.2372369E+01 3,+1 102 3 +3 1.001114 -1.142666 -1.208847 Rho 0.4638388E-02 |GRAD(Rho)| 0.3058252E-17 GRAD(Rho)x 0.8365575E-18 GRAD(Rho)y -0.2897559E-17 GRAD(Rho)z 0.5071792E-18 Laplacian 0.1807478E-01 (-1/4)Del**2(Rho)) -0.4518695E-02 Diamond 0.1449929E-03 Metallicity 0.4918340E+00 Ellipticity -0.5053008E+00 Gb(Abramov) 0.3382871E-02 Vb(Abramov) -0.2247048E-02 Hb(Abramov) 0.1135824E-02 Ex_ueg -0.5713134E-03 Ec_ueg -0.1313845E-03 Delta_ex -0.6435385E-03 Delta_ec 0.1366033E-03 Delta_et -0.9015277E-03 Pxc 0.4348409E+01 Qxc -0.4711004E+01 3,+3 103 3 +1 0.148756 -0.158340 2.920777 Rho 0.5699148E-02 |GRAD(Rho)| 0.4387253E-17 GRAD(Rho)x 0.3359756E-17 GRAD(Rho)y -0.2619691E-17 GRAD(Rho)z -0.1047498E-17 Laplacian 0.2347127E-01 (-1/4)Del**2(Rho)) -0.5867817E-02 Diamond 0.6258355E-03 Metallicity 0.5338589E+00 Ellipticity -0.2865739E+01 Gb(Abramov) 0.4433976E-02 Vb(Abramov) -0.3000134E-02 Hb(Abramov) 0.1433841E-02 Ex_ueg -0.7518507E-03 Ec_ueg -0.1771230E-03 Delta_ex -0.1176164E-02 Delta_ec 0.7016977E-03 Delta_et -0.3978228E-02 Pxc 0.4244795E+01 Qxc -0.1676169E+01 3,+1 104 3 +1 0.469738 -0.752642 -1.745655 Rho 0.6226225E-02 |GRAD(Rho)| 0.9338283E-17 GRAD(Rho)x 0.8963734E-17 GRAD(Rho)y 0.2617825E-17 GRAD(Rho)z -0.4456187E-19 Laplacian 0.2437643E-01 (-1/4)Del**2(Rho)) -0.6094109E-02 Diamond 0.5600953E-03 Metallicity 0.5956864E+00 Ellipticity -0.1698637E+01 Gb(Abramov) 0.4667769E-02 Vb(Abramov) -0.3241429E-02 Hb(Abramov) 0.1426340E-02 Ex_ueg -0.8459632E-03 Ec_ueg -0.2000580E-03 Delta_ex -0.1124221E-02 Delta_ec 0.5158081E-03 Delta_et -0.3090236E-02 Pxc 0.4228589E+01 Qxc -0.2179534E+01 3,+1 105 3 +1 -0.635686 -1.657764 0.527007 Rho 0.9335055E-02 |GRAD(Rho)| 0.1669446E-15 GRAD(Rho)x 0.1157388E-15 GRAD(Rho)y 0.1182468E-15 GRAD(Rho)z -0.2219733E-16 Laplacian 0.3559574E-01 (-1/4)Del**2(Rho)) -0.8898935E-02 Diamond 0.1064482E-02 Metallicity 0.8012043E+00 Ellipticity -0.1508402E+01 Gb(Abramov) 0.7120934E-02 Vb(Abramov) -0.5342933E-02 Hb(Abramov) 0.1778001E-02 Ex_ueg -0.1451691E-02 Ec_ueg -0.3379873E-03 Delta_ex -0.1660059E-02 Delta_ec 0.5002909E-03 Delta_et -0.3492613E-02 Pxc 0.4295106E+01 Qxc -0.3318188E+01 3,+1 106 3 +1 -0.383736 -1.117885 -2.747092 Rho 0.3555944E-02 |GRAD(Rho)| 0.5560292E-15 GRAD(Rho)x -0.8776460E-16 GRAD(Rho)y 0.5490319E-15 GRAD(Rho)z -0.5458499E-17 Laplacian 0.1428232E-01 (-1/4)Del**2(Rho)) -0.3570580E-02 Diamond 0.1498557E-03 Metallicity 0.3997047E+00 Ellipticity -0.1327499E+01 Gb(Abramov) 0.2618249E-02 Vb(Abramov) -0.1665919E-02 Hb(Abramov) 0.9523302E-03 Ex_ueg -0.4008590E-03 Ec_ueg -0.8530851E-04 Delta_ex -0.5769844E-03 Delta_ec 0.2907173E-03 Delta_et -0.1490550E-02 Pxc 0.4698933E+01 Qxc -0.1984692E+01 3,+1 107 3 -1 -0.844105 3.015011 2.017301 Rho 0.1593871E+00 |GRAD(Rho)| 0.6481078E-13 GRAD(Rho)x -0.6258085E-13 GRAD(Rho)y 0.3458727E-14 GRAD(Rho)z 0.1649578E-13 Laplacian 0.6191420E+00 (-1/4)Del**2(Rho)) -0.1547855E+00 Diamond 0.1334596E+01 Metallicity 0.5214887E+01 Ellipticity 0.6701684E-01 Gb(Abramov) 0.2377218E+00 Vb(Abramov) -0.3206581E+00 Hb(Abramov) -0.8293631E-01 Ex_ueg -0.6382478E-01 Ec_ueg -0.9047107E-02 Delta_ex -0.6735597E-01 Delta_ec 0.1522610E-01 Delta_et -0.2037237E+00 Pxc 0.7054717E+01 Qxc -0.4423717E+01 3,-1 108 3 +1 0.491152 0.481044 1.644573 Rho 0.8366342E-02 |GRAD(Rho)| 0.2211357E-17 GRAD(Rho)x 0.1853048E-17 GRAD(Rho)y -0.7747390E-18 GRAD(Rho)z -0.9252511E-18 Laplacian 0.3307057E-01 (-1/4)Del**2(Rho)) -0.8267643E-02 Diamond 0.8593613E-03 Metallicity 0.7184515E+00 Ellipticity -0.1429197E+01 Gb(Abramov) 0.6501746E-02 Vb(Abramov) -0.4735848E-02 Hb(Abramov) 0.1765898E-02 Ex_ueg -0.1254390E-02 Ec_ueg -0.2945378E-03 Delta_ex -0.1503557E-02 Delta_ec 0.4711589E-03 Delta_et -0.3192849E-02 Pxc 0.4258842E+01 Qxc -0.3191189E+01 3,+1 109 3 +3 -0.001429 -0.021981 2.280655 Rho 0.4777264E-02 |GRAD(Rho)| 0.1657813E-15 GRAD(Rho)x -0.1089321E-15 GRAD(Rho)y 0.7035460E-16 GRAD(Rho)z -0.1032835E-15 Laplacian 0.1954439E-01 (-1/4)Del**2(Rho)) -0.4886098E-02 Diamond 0.1709613E-03 Metallicity 0.4777745E+00 Ellipticity -0.2774398E+00 Gb(Abramov) 0.3646474E-02 Vb(Abramov) -0.2406851E-02 Hb(Abramov) 0.1239624E-02 Ex_ueg -0.5942338E-03 Ec_ueg -0.1373402E-03 Delta_ex -0.7089343E-03 Delta_ec 0.1613772E-03 Delta_et -0.1048948E-02 Pxc 0.4326730E+01 Qxc -0.4393028E+01 3,+3 110 3 -1 0.219723 -1.182147 -1.919689 Rho 0.6882610E-02 |GRAD(Rho)| 0.8106769E-15 GRAD(Rho)x 0.6905737E-15 GRAD(Rho)y -0.3158104E-15 GRAD(Rho)z -0.2838465E-15 Laplacian 0.2752097E-01 (-1/4)Del**2(Rho)) -0.6880242E-02 Diamond 0.1172680E-02 Metallicity 0.6235501E+00 Ellipticity 0.4341053E+00 Gb(Abramov) 0.5301857E-02 Vb(Abramov) -0.3723473E-02 Hb(Abramov) 0.1578385E-02 Ex_ueg -0.9669172E-03 Ec_ueg -0.2288076E-03 Delta_ex -0.1570313E-02 Delta_ec 0.1068033E-02 Delta_et -0.6305090E-02 Pxc 0.4225896E+01 Qxc -0.1470284E+01 3,-1 111 3 -1 -0.534478 0.428259 0.446233 Rho 0.1807595E+00 |GRAD(Rho)| 0.4772981E-15 GRAD(Rho)x -0.3469447E-16 GRAD(Rho)y 0.3295975E-15 GRAD(Rho)z 0.3434752E-15 Laplacian 0.4804842E+00 (-1/4)Del**2(Rho)) -0.1201211E+00 Diamond 0.1240974E+01 Metallicity 0.8287736E+01 Ellipticity 0.1358177E-02 Gb(Abramov) 0.2460026E+00 Vb(Abramov) -0.3718842E+00 Hb(Abramov) -0.1258816E+00 Ex_ueg -0.7548370E-01 Ec_ueg -0.1044086E-01 Delta_ex -0.5422783E-01 Delta_ec 0.1193901E-01 Delta_et -0.1635434E+00 Pxc 0.7229647E+01 Qxc -0.4542073E+01 3,-1 112 3 -1 -1.726247 0.532317 1.748528 Rho 0.5110562E-01 |GRAD(Rho)| 0.1999411E-12 GRAD(Rho)x 0.1930618E-13 GRAD(Rho)y -0.6621132E-13 GRAD(Rho)z -0.1876693E-12 Laplacian 0.2060443E+00 (-1/4)Del**2(Rho)) -0.5151108E-01 Diamond 0.1067248E+00 Metallicity 0.2353786E+01 Ellipticity 0.1272188E-01 Gb(Abramov) 0.5454840E-01 Vb(Abramov) -0.5758571E-01 Hb(Abramov) -0.3037317E-02 Ex_ueg -0.1400694E-01 Ec_ueg -0.2476079E-02 Delta_ex -0.1701704E-01 Delta_ec 0.6072753E-02 Delta_et -0.6438217E-01 Pxc 0.5656903E+01 Qxc -0.2802195E+01 3,-1 113 3 +1 2.124555 -1.379645 1.080933 Rho 0.2774524E-01 |GRAD(Rho)| 0.1433113E-15 GRAD(Rho)x 0.7002377E-16 GRAD(Rho)y -0.1007813E-15 GRAD(Rho)z -0.7401318E-16 Laplacian 0.1100554E+00 (-1/4)Del**2(Rho)) -0.2751385E-01 Diamond 0.1676896E-01 Metallicity 0.1592145E+01 Ellipticity -0.4277276E+01 Gb(Abramov) 0.2564357E-01 Vb(Abramov) -0.2377330E-01 Hb(Abramov) 0.1870276E-02 Ex_ueg -0.6203494E-02 Ec_ueg -0.1227902E-02 Delta_ex -0.7053218E-02 Delta_ec 0.1893550E-02 Delta_et -0.1713836E-01 Pxc 0.5052110E+01 Qxc -0.3724865E+01 3,+1 114 3 +1 0.015382 -2.941321 0.052885 Rho 0.4773361E-02 |GRAD(Rho)| 0.3298370E-17 GRAD(Rho)x 0.4822700E-18 GRAD(Rho)y -0.3054418E-18 GRAD(Rho)z -0.3248594E-17 Laplacian 0.1895062E-01 (-1/4)Del**2(Rho)) -0.4737655E-02 Diamond 0.4108699E-03 Metallicity 0.4920737E+00 Ellipticity -0.3055373E+01 Gb(Abramov) 0.3546983E-02 Vb(Abramov) -0.2356310E-02 Hb(Abramov) 0.1190673E-02 Ex_ueg -0.5935866E-03 Ec_ueg -0.1371727E-03 Delta_ex -0.9295462E-03 Delta_ec 0.5890725E-03 Delta_et -0.3157995E-02 Pxc 0.4327295E+01 Qxc -0.1577983E+01 3,+1 115 3 -1 0.845657 -3.009464 1.997871 Rho 0.1527602E+00 |GRAD(Rho)| 0.4477026E-15 GRAD(Rho)x 0.2192799E-16 GRAD(Rho)y -0.3385557E-15 GRAD(Rho)z -0.2921247E-15 Laplacian 0.6009255E+00 (-1/4)Del**2(Rho)) -0.1502314E+00 Diamond 0.1242664E+01 Metallicity 0.5005831E+01 Ellipticity 0.5921228E-01 Gb(Abramov) 0.2254931E+00 Vb(Abramov) -0.3007547E+00 Hb(Abramov) -0.7526168E-01 Ex_ueg -0.6031129E-01 Ec_ueg -0.8620439E-02 Delta_ex -0.6480381E-01 Delta_ec 0.1514175E-01 Delta_et -0.2019874E+00 Pxc 0.6996313E+01 Qxc -0.4279809E+01 3,-1 116 3 -1 -0.600826 -2.766750 1.829132 Rho 0.1537099E+00 |GRAD(Rho)| 0.2286961E-15 GRAD(Rho)x -0.1535501E-15 GRAD(Rho)y -0.8483882E-16 GRAD(Rho)z 0.1467197E-15 Laplacian 0.6491915E+00 (-1/4)Del**2(Rho)) -0.1622979E+00 Diamond 0.1348402E+01 Metallicity 0.4681772E+01 Ellipticity 0.2282329E-01 Gb(Abramov) 0.2348389E+00 Vb(Abramov) -0.3073798E+00 Hb(Abramov) -0.7254098E-01 Ex_ueg -0.6081177E-01 Ec_ueg -0.8681425E-02 Delta_ex -0.7007635E-01 Delta_ec 0.1626194E-01 Delta_et -0.2169427E+00 Pxc 0.7004814E+01 Qxc -0.4309224E+01 3,-1 117 3 -1 -0.556292 1.743634 1.735030 Rho 0.3988941E-01 |GRAD(Rho)| 0.8536861E-16 GRAD(Rho)x -0.1151711E-16 GRAD(Rho)y -0.8199660E-16 GRAD(Rho)z -0.2077772E-16 Laplacian 0.1667177E+00 (-1/4)Del**2(Rho)) -0.4167942E-01 Diamond 0.6340576E-01 Metallicity 0.1924838E+01 Ellipticity 0.3451646E-01 Gb(Abramov) 0.4115730E-01 Vb(Abramov) -0.4063518E-01 Hb(Abramov) 0.5221200E-03 Ex_ueg -0.1006611E-01 Ec_ueg -0.1864137E-02 Delta_ex -0.1304255E-01 Delta_ec 0.5104576E-02 Delta_et -0.5070741E-01 Pxc 0.5399880E+01 Qxc -0.2555071E+01 3,-1 118 3 -1 -0.845604 2.017284 3.019762 Rho 0.1260936E+00 |GRAD(Rho)| 0.2170713E-15 GRAD(Rho)x 0.1809398E-15 GRAD(Rho)y 0.6437450E-16 GRAD(Rho)z 0.1011764E-15 Laplacian 0.4918570E+00 (-1/4)Del**2(Rho)) -0.1229642E+00 Diamond 0.8037456E+00 Metallicity 0.4442177E+01 Ellipticity 0.4237685E-01 Gb(Abramov) 0.1730143E+00 Vb(Abramov) -0.2230644E+00 Hb(Abramov) -0.5005008E-01 Ex_ueg -0.4669915E-01 Ec_ueg -0.6931217E-02 Delta_ex -0.5057192E-01 Delta_ec 0.1289609E-01 Delta_et -0.1669485E+00 Pxc 0.6737511E+01 Qxc -0.3921494E+01 3,-1 119 3 -1 1.741186 0.510018 -1.731475 Rho 0.4315215E-01 |GRAD(Rho)| 0.5440615E-16 GRAD(Rho)x 0.4041999E-16 GRAD(Rho)y 0.2167346E-18 GRAD(Rho)z 0.3641712E-16 Laplacian 0.1720695E+00 (-1/4)Del**2(Rho)) -0.4301738E-01 Diamond 0.7015574E-01 Metallicity 0.2126082E+01 Ellipticity 0.2278418E-01 Gb(Abramov) 0.4392133E-01 Vb(Abramov) -0.4482528E-01 Hb(Abramov) -0.9039516E-03 Ex_ueg -0.1117862E-01 Ec_ueg -0.2040001E-02 Delta_ex -0.1358538E-01 Delta_ec 0.5016123E-02 Delta_et -0.5085682E-01 Pxc 0.5479713E+01 Qxc -0.2708343E+01 3,-1 120 3 -1 -0.572586 2.764242 -1.762932 Rho 0.1429503E+00 |GRAD(Rho)| 0.2286151E-15 GRAD(Rho)x 0.1776872E-15 GRAD(Rho)y -0.3396263E-16 GRAD(Rho)z -0.1397808E-15 Laplacian 0.5888816E+00 (-1/4)Del**2(Rho)) -0.1472204E+00 Diamond 0.1105047E+01 Metallicity 0.4573272E+01 Ellipticity 0.2007405E-01 Gb(Abramov) 0.2103601E+00 Vb(Abramov) -0.2734998E+00 Hb(Abramov) -0.6313970E-01 Ex_ueg -0.5520333E-01 Ec_ueg -0.7993772E-02 Delta_ex -0.6227279E-01 Delta_ec 0.1471628E-01 Delta_et -0.1936897E+00 Pxc 0.6905792E+01 Qxc -0.4231557E+01 3,-1 121 3 -1 0.058415 2.955091 -0.024253 Rho 0.5627831E-02 |GRAD(Rho)| 0.2509330E-14 GRAD(Rho)x 0.1961145E-14 GRAD(Rho)y -0.3175782E-15 GRAD(Rho)z -0.1532904E-14 Laplacian 0.2254205E-01 (-1/4)Del**2(Rho)) -0.5635513E-02 Diamond 0.7260636E-03 Metallicity 0.5443206E+00 Ellipticity 0.2237358E+01 Gb(Abramov) 0.4268263E-02 Vb(Abramov) -0.2901013E-02 Hb(Abramov) 0.1367250E-02 Ex_ueg -0.7393325E-03 Ec_ueg -0.1740302E-03 Delta_ex -0.1233908E-02 Delta_ec 0.8652240E-03 Delta_et -0.4806707E-02 Pxc 0.4248300E+01 Qxc -0.1426113E+01 3,-1 122 3 -1 -0.565032 -1.805345 2.789629 Rho 0.1291113E+00 |GRAD(Rho)| 0.5925102E-13 GRAD(Rho)x 0.3719824E-13 GRAD(Rho)y -0.4554641E-13 GRAD(Rho)z -0.7245540E-14 Laplacian 0.5370312E+00 (-1/4)Del**2(Rho)) -0.1342578E+00 Diamond 0.9124460E+00 Metallicity 0.4232084E+01 Ellipticity 0.1196702E-01 Gb(Abramov) 0.1842036E+00 Vb(Abramov) -0.2341493E+00 Hb(Abramov) -0.4994577E-01 Ex_ueg -0.4819525E-01 Ec_ueg -0.7120071E-02 Delta_ex -0.5564879E-01 Delta_ec 0.1420939E-01 Delta_et -0.1850490E+00 Pxc 0.6768928E+01 Qxc -0.3916340E+01 3,-1 123 3 -1 0.100012 -2.006144 -1.057715 Rho 0.8499899E-02 |GRAD(Rho)| 0.4417727E-15 GRAD(Rho)x -0.2762786E-15 GRAD(Rho)y -0.3430027E-15 GRAD(Rho)z -0.3438528E-16 Laplacian 0.3285720E-01 (-1/4)Del**2(Rho)) -0.8214299E-02 Diamond 0.1790818E-02 Metallicity 0.7424586E+00 Ellipticity 0.4537384E+00 Gb(Abramov) 0.6492662E-02 Vb(Abramov) -0.4771025E-02 Hb(Abramov) 0.1721637E-02 Ex_ueg -0.1281160E-02 Ec_ueg -0.3005035E-03 Delta_ex -0.1920149E-02 Delta_ec 0.1218555E-02 Delta_et -0.7687168E-02 Pxc 0.4263378E+01 Qxc -0.1575759E+01 3,-1 124 3 +1 0.398082 -1.752048 -0.680507 Rho 0.7611998E-02 |GRAD(Rho)| 0.9659581E-15 GRAD(Rho)x 0.1982617E-16 GRAD(Rho)y 0.6110333E-15 GRAD(Rho)z 0.7478773E-15 Laplacian 0.2924002E-01 (-1/4)Del**2(Rho)) -0.7310004E-02 Diamond 0.8210991E-03 Metallicity 0.6941714E+00 Ellipticity -0.1739738E+01 Gb(Abramov) 0.5719069E-02 Vb(Abramov) -0.4128133E-02 Hb(Abramov) 0.1590935E-02 Ex_ueg -0.1105902E-02 Ec_ueg -0.2609934E-03 Delta_ex -0.1379371E-02 Delta_ec 0.5614021E-03 Delta_et -0.3592122E-02 Pxc 0.4237280E+01 Qxc -0.2457010E+01 3,+1 125 3 -1 -0.574061 -0.524330 -0.519641 Rho 0.1889221E+00 |GRAD(Rho)| 0.5429447E-13 GRAD(Rho)x 0.3184605E-13 GRAD(Rho)y 0.3136380E-13 GRAD(Rho)z 0.3082257E-13 Laplacian 0.5100556E+00 (-1/4)Del**2(Rho)) -0.1275139E+00 Diamond 0.1371965E+01 Metallicity 0.8403628E+01 Ellipticity 0.2396628E-01 Gb(Abramov) 0.2636058E+00 Vb(Abramov) -0.3996978E+00 Hb(Abramov) -0.1360919E+00 Ex_ueg -0.8006242E-01 Ec_ueg -0.1098012E-01 Delta_ex -0.5808204E-01 Delta_ec 0.1230356E-01 Delta_et -0.1686476E+00 Pxc 0.7291578E+01 Qxc -0.4720752E+01 3,-1 126 3 -1 -0.003769 -0.001486 2.916347 Rho 0.5732919E-02 |GRAD(Rho)| 0.9536090E-12 GRAD(Rho)x 0.9416487E-12 GRAD(Rho)y 0.9358003E-13 GRAD(Rho)z -0.1179436E-12 Laplacian 0.2300985E-01 (-1/4)Del**2(Rho)) -0.5752462E-02 Diamond 0.7396019E-03 Metallicity 0.5499533E+00 Ellipticity 0.2765862E+01 Gb(Abramov) 0.4362239E-02 Vb(Abramov) -0.2972016E-02 Hb(Abramov) 0.1390223E-02 Ex_ueg -0.7577969E-03 Ec_ueg -0.1785884E-03 Delta_ex -0.1248164E-02 Delta_ec 0.8552975E-03 Delta_et -0.4787556E-02 Pxc 0.4243260E+01 Qxc -0.1459334E+01 3,-1 127 3 +3 -0.314986 -0.582717 -2.868773 Rho 0.3252718E-02 |GRAD(Rho)| 0.3967739E-17 GRAD(Rho)x -0.3664357E-17 GRAD(Rho)y -0.2898613E-19 GRAD(Rho)z -0.1521382E-17 Laplacian 0.1284748E-01 (-1/4)Del**2(Rho)) -0.3211870E-02 Diamond 0.1141628E-03 Metallicity 0.3830063E+00 Ellipticity -0.6748633E+00 Gb(Abramov) 0.2346275E-02 Vb(Abramov) -0.1480679E-02 Hb(Abramov) 0.8655956E-03 Ex_ueg -0.3559429E-03 Ec_ueg -0.7251292E-04 Delta_ex -0.5004822E-03 Delta_ec 0.2455867E-03 Delta_et -0.1237454E-02 Pxc 0.4908683E+01 Qxc -0.2037904E+01 3,+3 128 3 -1 0.499729 1.685668 -1.703410 Rho 0.4711776E-01 |GRAD(Rho)| 0.5831251E-16 GRAD(Rho)x -0.3195644E-17 GRAD(Rho)y 0.4524003E-17 GRAD(Rho)z -0.5804886E-16 Laplacian 0.1945634E+00 (-1/4)Del**2(Rho)) -0.4864086E-01 Diamond 0.9277495E-01 Metallicity 0.2177006E+01 Ellipticity 0.8526124E-02 Gb(Abramov) 0.5007582E-01 Vb(Abramov) -0.5151077E-01 Hb(Abramov) -0.1434955E-02 Ex_ueg -0.1256892E-01 Ec_ueg -0.2256185E-02 Delta_ex -0.1586154E-01 Delta_ec 0.5949153E-02 Delta_et -0.6179832E-01 Pxc 0.5570873E+01 Qxc -0.2666185E+01 3,-1 129 3 +1 1.244301 2.129534 -1.189709 Rho 0.2754297E-01 |GRAD(Rho)| 0.5852219E-16 GRAD(Rho)x -0.1053566E-16 GRAD(Rho)y -0.5681139E-16 GRAD(Rho)z 0.9290454E-17 Laplacian 0.1123232E+00 (-1/4)Del**2(Rho)) -0.2808081E-01 Diamond 0.1868973E-01 Metallicity 0.1541091E+01 Ellipticity -0.1139004E+02 Gb(Abramov) 0.2593305E-01 Vb(Abramov) -0.2378529E-01 Hb(Abramov) 0.2147757E-02 Ex_ueg -0.6143268E-02 Ec_ueg -0.1217582E-02 Delta_ex -0.7351171E-02 Delta_ec 0.2230246E-02 Delta_et -0.2010319E-01 Pxc 0.5045466E+01 Qxc -0.3296126E+01 3,+1 130 3 -1 -0.076529 -3.217437 3.197072 Rho 0.2446542E+00 |GRAD(Rho)| 0.1330133E-10 GRAD(Rho)x -0.2493402E-11 GRAD(Rho)y -0.9131199E-11 GRAD(Rho)z 0.9345033E-11 Laplacian 0.9002257E+00 (-1/4)Del**2(Rho)) -0.2250564E+00 Diamond 0.3243134E+01 Metallicity 0.7325705E+01 Ellipticity 0.2188341E-02 Gb(Abramov) 0.4248204E+00 Vb(Abramov) -0.6245845E+00 Hb(Abramov) -0.1997640E+00 Ex_ueg -0.1130113E+00 Ec_ueg -0.1476143E-01 Delta_ex -0.1092344E+00 Delta_ec 0.1963273E-01 Delta_et -0.2714757E+00 Pxc 0.7655848E+01 Qxc -0.5563893E+01 3,-1 131 3 -1 -0.001390 -3.306156 -1.230658 Rho 0.2891723E-01 |GRAD(Rho)| 0.2328893E-16 GRAD(Rho)x 0.1886539E-16 GRAD(Rho)y -0.1254568E-16 GRAD(Rho)z 0.5392328E-17 Laplacian 0.9202478E-01 (-1/4)Del**2(Rho)) -0.2300620E-01 Diamond 0.3461900E-01 Metallicity 0.2040028E+01 Ellipticity 0.4856930E-02 Gb(Abramov) 0.2315968E-01 Vb(Abramov) -0.2331316E-01 Hb(Abramov) -0.1534816E-03 Ex_ueg -0.6555320E-02 Ec_ueg -0.1287893E-02 Delta_ex -0.7732395E-02 Delta_ec 0.4741362E-02 Delta_et -0.4296758E-01 Pxc 0.5089958E+01 Qxc -0.1630838E+01 3,-1 132 3 -1 0.498762 -1.761515 1.703091 Rho 0.4972729E-01 |GRAD(Rho)| 0.2309916E-16 GRAD(Rho)x 0.6391287E-17 GRAD(Rho)y 0.1152981E-16 GRAD(Rho)z 0.1896803E-16 Laplacian 0.2010855E+00 (-1/4)Del**2(Rho)) -0.5027138E-01 Diamond 0.1002982E+00 Metallicity 0.2304396E+01 Ellipticity 0.1506390E-01 Gb(Abramov) 0.5282178E-01 Vb(Abramov) -0.5537217E-01 Hb(Abramov) -0.2550399E-02 Ex_ueg -0.1350552E-01 Ec_ueg -0.2399805E-02 Delta_ex -0.1649076E-01 Delta_ec 0.5923393E-02 Delta_et -0.6235269E-01 Pxc 0.5627759E+01 Qxc -0.2784006E+01 3,-1 133 3 +1 0.491493 1.680381 0.534995 Rho 0.7574445E-02 |GRAD(Rho)| 0.6246939E-16 GRAD(Rho)x -0.2846944E-16 GRAD(Rho)y -0.4903060E-16 GRAD(Rho)z -0.2622814E-16 Laplacian 0.2962203E-01 (-1/4)Del**2(Rho)) -0.7405509E-02 Diamond 0.6749135E-03 Metallicity 0.6795942E+00 Ellipticity -0.1406389E+01 Gb(Abramov) 0.5775796E-02 Vb(Abramov) -0.4146083E-02 Hb(Abramov) 0.1629713E-02 Ex_ueg -0.1098634E-02 Ec_ueg -0.2593303E-03 Delta_ex -0.1314989E-02 Delta_ec 0.4245111E-03 Delta_et -0.2801465E-02 Pxc 0.4236426E+01 Qxc -0.3097656E+01 3,+1 134 3 +1 -1.076471 1.387148 2.186100 Rho 0.2611735E-01 |GRAD(Rho)| 0.4455782E-16 GRAD(Rho)x -0.1797228E-16 GRAD(Rho)y 0.7912179E-17 GRAD(Rho)z 0.3999743E-16 Laplacian 0.1027104E+00 (-1/4)Del**2(Rho)) -0.2567761E-01 Diamond 0.1345930E-01 Metallicity 0.1542459E+01 Ellipticity -0.2926771E+01 Gb(Abramov) 0.2371952E-01 Vb(Abramov) -0.2176143E-01 Hb(Abramov) 0.1958092E-02 Ex_ueg -0.5723001E-02 Ec_ueg -0.1145134E-02 Delta_ex -0.6380432E-02 Delta_ec 0.1595180E-02 Delta_et -0.1426141E-01 Pxc 0.4997670E+01 Qxc -0.3999819E+01 3,+1 135 3 -1 0.540120 1.827576 2.750474 Rho 0.1258387E+00 |GRAD(Rho)| 0.1808425E-15 GRAD(Rho)x -0.1532520E-15 GRAD(Rho)y 0.5892639E-16 GRAD(Rho)z -0.7579928E-16 Laplacian 0.5278532E+00 (-1/4)Del**2(Rho)) -0.1319633E+00 Diamond 0.8534549E+00 Metallicity 0.4125317E+01 Ellipticity 0.1092156E-01 Gb(Abramov) 0.1787073E+00 Vb(Abramov) -0.2254512E+00 Hb(Abramov) -0.4674396E-01 Ex_ueg -0.4657336E-01 Ec_ueg -0.6915298E-02 Delta_ex -0.5415823E-01 Delta_ec 0.1368879E-01 Delta_et -0.1768692E+00 Pxc 0.6734830E+01 Qxc -0.3956392E+01 3,-1 136 3 -1 -0.087776 3.144773 -3.155999 Rho 0.2336813E+00 |GRAD(Rho)| 0.4854464E-15 GRAD(Rho)x -0.3961404E-16 GRAD(Rho)y 0.4794342E-15 GRAD(Rho)z 0.6505213E-16 Laplacian 0.8492128E+00 (-1/4)Del**2(Rho)) -0.2123032E+00 Diamond 0.2913710E+01 Metallicity 0.7193993E+01 Ellipticity 0.7323338E-03 Gb(Abramov) 0.3960868E+00 Vb(Abramov) -0.5798703E+00 Hb(Abramov) -0.1837836E+00 Ex_ueg -0.1063042E+00 Ec_ueg -0.1400342E-01 Delta_ex -0.1019194E+00 Delta_ec 0.1895903E-01 Delta_et -0.2625706E+00 Pxc 0.7591305E+01 Qxc -0.5375772E+01 3,-1 137 3 -1 0.074024 3.221753 3.206096 Rho 0.2333003E+00 |GRAD(Rho)| 0.2578196E-15 GRAD(Rho)x -0.5120145E-16 GRAD(Rho)y -0.2406387E-15 GRAD(Rho)z -0.7708677E-16 Laplacian 0.8364187E+00 (-1/4)Del**2(Rho)) -0.2091047E+00 Diamond 0.2872866E+01 Metallicity 0.7284194E+01 Ellipticity 0.6295087E-02 Gb(Abramov) 0.3932630E+00 Vb(Abramov) -0.5774213E+00 Hb(Abramov) -0.1841583E+00 Ex_ueg -0.1060731E+00 Ec_ueg -0.1397721E-01 Delta_ex -0.1003893E+00 Delta_ec 0.1876801E-01 Delta_et -0.2602711E+00 Pxc 0.7589006E+01 Qxc -0.5348957E+01 3,-1 138 3 -1 0.821678 -1.990561 2.999716 Rho 0.1386449E+00 |GRAD(Rho)| 0.4185814E-13 GRAD(Rho)x -0.3299718E-13 GRAD(Rho)y 0.2433776E-13 GRAD(Rho)z -0.8423980E-14 Laplacian 0.5474151E+00 (-1/4)Del**2(Rho)) -0.1368538E+00 Diamond 0.1011207E+01 Metallicity 0.4675231E+01 Ellipticity 0.3604765E-01 Gb(Abramov) 0.1978730E+00 Vb(Abramov) -0.2588923E+00 Hb(Abramov) -0.6101925E-01 Ex_ueg -0.5299771E-01 Ec_ueg -0.7720637E-02 Delta_ex -0.5768814E-01 Delta_ec 0.1419906E-01 Delta_et -0.1869408E+00 Pxc 0.6864421E+01 Qxc -0.4062814E+01 3,-1 139 3 -1 0.560791 2.813428 1.811509 Rho 0.1239238E+00 |GRAD(Rho)| 0.1716540E-14 GRAD(Rho)x -0.1111619E-14 GRAD(Rho)y -0.1178257E-15 GRAD(Rho)z 0.1302662E-14 Laplacian 0.5159571E+00 (-1/4)Del**2(Rho)) -0.1289893E+00 Diamond 0.8249220E+00 Metallicity 0.4113937E+01 Ellipticity 0.1124063E-01 Gb(Abramov) 0.1744352E+00 Vb(Abramov) -0.2198810E+00 Hb(Abramov) -0.4544588E-01 Ex_ueg -0.4563082E-01 Ec_ueg -0.6795814E-02 Delta_ex -0.5281879E-01 Delta_ec 0.1356547E-01 Delta_et -0.1750758E+00 Pxc 0.6714548E+01 Qxc -0.3893620E+01 3,-1 140 3 -1 0.392506 -0.524682 0.427858 Rho 0.1796608E+00 |GRAD(Rho)| 0.5738738E-14 GRAD(Rho)x -0.3420875E-14 GRAD(Rho)y 0.3212708E-14 GRAD(Rho)z -0.3302913E-14 Laplacian 0.4769875E+00 (-1/4)Del**2(Rho)) -0.1192469E+00 Diamond 0.1227606E+01 Metallicity 0.8264089E+01 Ellipticity 0.2315166E-02 Gb(Abramov) 0.2437424E+00 Vb(Abramov) -0.3682379E+00 Hb(Abramov) -0.1244955E+00 Ex_ueg -0.7487258E-01 Ec_ueg -0.1036856E-01 Delta_ex -0.5378747E-01 Delta_ec 0.1193594E-01 Delta_et -0.1635772E+00 Pxc 0.7221116E+01 Qxc -0.4506347E+01 3,-1 141 3 +1 2.163883 1.205602 -1.199108 Rho 0.2682869E-01 |GRAD(Rho)| 0.2423098E-15 GRAD(Rho)x 0.2211420E-15 GRAD(Rho)y 0.9375187E-16 GRAD(Rho)z -0.3195076E-16 Laplacian 0.1085533E+00 (-1/4)Del**2(Rho)) -0.2713832E-01 Diamond 0.1711292E-01 Metallicity 0.1526286E+01 Ellipticity -0.7694142E+01 Gb(Abramov) 0.2499569E-01 Vb(Abramov) -0.2285305E-01 Hb(Abramov) 0.2142635E-02 Ex_ueg -0.5931770E-02 Ec_ueg -0.1181219E-02 Delta_ex -0.7025133E-02 Delta_ec 0.2100772E-02 Delta_et -0.1881841E-01 Pxc 0.5021734E+01 Qxc -0.3344072E+01 3,+1 142 3 +1 2.959817 -0.157847 0.186590 Rho 0.5441808E-02 |GRAD(Rho)| 0.1487372E-16 GRAD(Rho)x 0.1627625E-17 GRAD(Rho)y 0.1109165E-16 GRAD(Rho)z 0.9775158E-17 Laplacian 0.2237252E-01 (-1/4)Del**2(Rho)) -0.5593130E-02 Diamond 0.5639403E-03 Metallicity 0.5185655E+00 Ellipticity -0.2687718E+01 Gb(Abramov) 0.4212154E-02 Vb(Abramov) -0.2831178E-02 Hb(Abramov) 0.1380976E-02 Ex_ueg -0.7069294E-03 Ec_ueg -0.1659749E-03 Delta_ex -0.1113605E-02 Delta_ec 0.6738331E-03 Delta_et -0.3765913E-02 Pxc 0.4259255E+01 Qxc -0.1652642E+01 3,+1 143 3 -1 0.410034 0.414661 -0.493134 Rho 0.1818908E+00 |GRAD(Rho)| 0.6396921E-14 GRAD(Rho)x -0.3903128E-14 GRAD(Rho)y -0.3767819E-14 GRAD(Rho)z 0.3389650E-14 Laplacian 0.4854998E+00 (-1/4)Del**2(Rho)) -0.1213749E+00 Diamond 0.1267382E+01 Metallicity 0.8287851E+01 Ellipticity 0.1309887E-02 Gb(Abramov) 0.2485729E+00 Vb(Abramov) -0.3757708E+00 Hb(Abramov) -0.1271979E+00 Ex_ueg -0.7611425E-01 Ec_ueg -0.1051537E-01 Delta_ex -0.5491063E-01 Delta_ec 0.1209936E-01 Delta_et -0.1660187E+00 Pxc 0.7238382E+01 Qxc -0.4538308E+01 3,-1 144 3 +1 1.660953 0.479237 0.541116 Rho 0.7716677E-02 |GRAD(Rho)| 0.9740743E-16 GRAD(Rho)x -0.2431453E-16 GRAD(Rho)y 0.4639043E-16 GRAD(Rho)z -0.8212759E-16 Laplacian 0.3048485E-01 (-1/4)Del**2(Rho)) -0.7621211E-02 Diamond 0.7019216E-03 Metallicity 0.6811556E+00 Ellipticity -0.1387251E+01 Gb(Abramov) 0.5946013E-02 Vb(Abramov) -0.4270814E-02 Hb(Abramov) 0.1675199E-02 Ex_ueg -0.1126226E-02 Ec_ueg -0.2656328E-03 Delta_ex -0.1354148E-02 Delta_ec 0.4271606E-03 Delta_et -0.2840623E-02 Pxc 0.4239784E+01 Qxc -0.3170114E+01 3,+1 145 3 +1 1.313450 -2.206417 1.083576 Rho 0.2910264E-01 |GRAD(Rho)| 0.8643991E-16 GRAD(Rho)x 0.1064392E-16 GRAD(Rho)y -0.7825259E-16 GRAD(Rho)z 0.3514396E-16 Laplacian 0.1161446E+00 (-1/4)Del**2(Rho)) -0.2903615E-01 Diamond 0.1872243E-01 Metallicity 0.1633684E+01 Ellipticity -0.4321807E+01 Gb(Abramov) 0.2726341E-01 Vb(Abramov) -0.2549068E-01 Hb(Abramov) 0.1772734E-02 Ex_ueg -0.6611421E-02 Ec_ueg -0.1297414E-02 Delta_ex -0.7523835E-02 Delta_ec 0.1970146E-02 Delta_et -0.1804082E-01 Pxc 0.5095847E+01 Qxc -0.3818922E+01 3,+1 146 3 +1 1.879362 -1.782081 -1.726717 Rho 0.1458433E-01 |GRAD(Rho)| 0.1131739E-16 GRAD(Rho)x 0.7767012E-17 GRAD(Rho)y 0.1832228E-17 GRAD(Rho)z 0.8024947E-17 Laplacian 0.6911378E-01 (-1/4)Del**2(Rho)) -0.1727845E-01 Diamond 0.3642849E-02 Metallicity 0.8680124E+00 Ellipticity -0.1397927E+01 Gb(Abramov) 0.1401862E-01 Vb(Abramov) -0.1075878E-01 Hb(Abramov) 0.3259831E-02 Ex_ueg -0.2631684E-02 Ec_ueg -0.5801474E-03 Delta_ex -0.3583042E-02 Delta_ec 0.9061385E-03 Delta_et -0.7116980E-02 Pxc 0.4536233E+01 Qxc -0.3954188E+01 3,+1 147 3 +3 1.068974 1.098688 1.059900 Rho 0.4629451E-02 |GRAD(Rho)| 0.8365870E-15 GRAD(Rho)x -0.1427377E-16 GRAD(Rho)y -0.8358943E-15 GRAD(Rho)z 0.3089877E-16 Laplacian 0.1821657E-01 (-1/4)Del**2(Rho)) -0.4554144E-02 Diamond 0.1225543E-03 Metallicity 0.4864396E+00 Ellipticity -0.2672862E+00 Gb(Abramov) 0.3405315E-02 Vb(Abramov) -0.2256487E-02 Hb(Abramov) 0.1148829E-02 Ex_ueg -0.5698463E-03 Ec_ueg -0.1310016E-03 Delta_ex -0.6243939E-03 Delta_ec 0.9506644E-04 Delta_et -0.6994614E-03 Pxc 0.4349919E+01 Qxc -0.6567974E+01 3,+3 148 3 +1 1.107682 1.295917 -2.165489 Rho 0.2789239E-01 |GRAD(Rho)| 0.8524720E-14 GRAD(Rho)x 0.5826986E-14 GRAD(Rho)y -0.1976779E-14 GRAD(Rho)z -0.5899951E-14 Laplacian 0.1130664E+00 (-1/4)Del**2(Rho)) -0.2826660E-01 Diamond 0.1799694E-01 Metallicity 0.1563469E+01 Ellipticity -0.5002353E+01 Gb(Abramov) 0.2621006E-01 Vb(Abramov) -0.2415352E-01 Hb(Abramov) 0.2056543E-02 Ex_ueg -0.6247401E-02 Ec_ueg -0.1235416E-02 Delta_ex -0.7316851E-02 Delta_ec 0.2053141E-02 Delta_et -0.1859063E-01 Pxc 0.5056922E+01 Qxc -0.3563736E+01 3,+1 149 3 -1 0.837334 1.947865 -2.953958 Rho 0.1133624E+00 |GRAD(Rho)| 0.2412640E-15 GRAD(Rho)x 0.1815429E-15 GRAD(Rho)y -0.1350814E-15 GRAD(Rho)z -0.8368686E-16 Laplacian 0.4401814E+00 (-1/4)Del**2(Rho)) -0.1100454E+00 Diamond 0.6303239E+00 Metallicity 0.4156841E+01 Ellipticity 0.4054324E-01 Gb(Abramov) 0.1496038E+00 Vb(Abramov) -0.1891621E+00 Hb(Abramov) -0.3955839E-01 Ex_ueg -0.4052074E-01 Ec_ueg -0.6141379E-02 Delta_ex -0.4408551E-01 Delta_ec 0.1176630E-01 Delta_et -0.1494446E+00 Pxc 0.6597986E+01 Qxc -0.3746761E+01 3,-1 150 3 +1 1.744029 1.770897 1.737219 Rho 0.1230406E-01 |GRAD(Rho)| 0.2508005E-16 GRAD(Rho)x 0.3338681E-17 GRAD(Rho)y 0.1676602E-16 GRAD(Rho)z -0.1835109E-16 Laplacian 0.6176493E-01 (-1/4)Del**2(Rho)) -0.1544123E-01 Diamond 0.2545443E-02 Metallicity 0.7316195E+00 Ellipticity -0.1255612E+01 Gb(Abramov) 0.1217701E-01 Vb(Abramov) -0.8912780E-02 Hb(Abramov) 0.3264226E-02 Ex_ueg -0.2097891E-02 Ec_ueg -0.4736236E-03 Delta_ex -0.3051697E-02 Delta_ec 0.7937691E-03 Delta_et -0.5994458E-02 Pxc 0.4429448E+01 Qxc -0.3844565E+01 3,+1 151 3 -1 1.814085 2.791351 0.578812 Rho 0.1498358E+00 |GRAD(Rho)| 0.3949879E-15 GRAD(Rho)x -0.3906109E-15 GRAD(Rho)y 0.4995462E-16 GRAD(Rho)z 0.3071003E-16 Laplacian 0.6316495E+00 (-1/4)Del**2(Rho)) -0.1579124E+00 Diamond 0.1275050E+01 Metallicity 0.4611366E+01 Ellipticity 0.1482109E-01 Gb(Abramov) 0.2266402E+00 Vb(Abramov) -0.2953680E+00 Hb(Abramov) -0.6872783E-01 Ex_ueg -0.5877678E-01 Ec_ueg -0.8433002E-02 Delta_ex -0.6778198E-01 Delta_ec 0.1597191E-01 Delta_et -0.2124497E+00 Pxc 0.6969852E+01 Qxc -0.4243824E+01 3,-1 152 3 -1 1.172504 -2.305569 -1.986372 Rho 0.4789166E-01 |GRAD(Rho)| 0.2641860E-15 GRAD(Rho)x 0.8553074E-17 GRAD(Rho)y -0.1287238E-15 GRAD(Rho)z 0.2305456E-15 Laplacian 0.1268299E+00 (-1/4)Del**2(Rho)) -0.3170746E-01 Diamond 0.9483589E-01 Metallicity 0.3431558E+01 Ellipticity 0.1258614E-01 Gb(Abramov) 0.3927265E-01 Vb(Abramov) -0.4683783E-01 Hb(Abramov) -0.7565182E-02 Ex_ueg -0.1284492E-01 Ec_ueg -0.2298668E-02 Delta_ex -0.1188839E-01 Delta_ec 0.6567553E-02 Delta_et -0.6916890E-01 Pxc 0.5587985E+01 Qxc -0.1810170E+01 3,-1 153 3 -1 1.175348 -1.786061 -2.557843 Rho 0.3051885E+00 |GRAD(Rho)| 0.5021231E-15 GRAD(Rho)x -0.2921791E-15 GRAD(Rho)y 0.2234278E-15 GRAD(Rho)z 0.3418172E-15 Laplacian -0.1516876E+01 (-1/4)Del**2(Rho)) 0.3792191E+00 Diamond 0.5128756E+01 Metallicity -0.6284584E+01 Ellipticity 0.3573379E-02 Gb(Abramov) 0.1443930E+00 Vb(Abramov) -0.6680051E+00 Hb(Abramov) -0.5236121E+00 Ex_ueg -0.1517549E+00 Ec_ueg -0.1906192E-01 Delta_ex 0.1477983E+00 Delta_ec 0.5376286E-01 Delta_et -0.1248614E+01 Pxc 0.7961153E+01 Qxc 0.2749077E+01 3,-1 154 3 +1 1.256000 -1.167318 2.159292 Rho 0.2719560E-01 |GRAD(Rho)| 0.1495044E-16 GRAD(Rho)x 0.1978693E-18 GRAD(Rho)y -0.7904620E-17 GRAD(Rho)z 0.1268833E-16 Laplacian 0.1073061E+00 (-1/4)Del**2(Rho)) -0.2682653E-01 Diamond 0.1607786E-01 Metallicity 0.1579380E+01 Ellipticity -0.4641871E+01 Gb(Abramov) 0.2494590E-01 Vb(Abramov) -0.2306527E-01 Hb(Abramov) 0.1880631E-02 Ex_ueg -0.6040181E-02 Ec_ueg -0.1199882E-02 Delta_ex -0.6856941E-02 Delta_ec 0.1876094E-02 Delta_et -0.1689337E-01 Pxc 0.5033978E+01 Qxc -0.3654902E+01 3,+1 155 3 +1 2.958770 0.151978 -0.123240 Rho 0.5472897E-02 |GRAD(Rho)| 0.3547497E-12 GRAD(Rho)x 0.6430134E-13 GRAD(Rho)y 0.3440547E-12 GRAD(Rho)z 0.5778431E-13 Laplacian 0.2255166E-01 (-1/4)Del**2(Rho)) -0.5637915E-02 Diamond 0.5966741E-03 Metallicity 0.5193540E+00 Ellipticity -0.3505409E+01 Gb(Abramov) 0.4246622E-02 Vb(Abramov) -0.2855329E-02 Hb(Abramov) 0.1391293E-02 Ex_ueg -0.7123194E-03 Ec_ueg -0.1673199E-03 Delta_ex -0.1143420E-02 Delta_ec 0.7142721E-03 Delta_et -0.3984059E-02 Pxc 0.4257230E+01 Qxc -0.1600818E+01 3,+1 156 3 -1 1.667189 -1.770286 0.470778 Rho 0.4675778E-01 |GRAD(Rho)| 0.4073170E-16 GRAD(Rho)x -0.1849496E-16 GRAD(Rho)y 0.1187371E-16 GRAD(Rho)z 0.3429319E-16 Laplacian 0.1866421E+00 (-1/4)Del**2(Rho)) -0.4666052E-01 Diamond 0.8579442E-01 Metallicity 0.2240579E+01 Ellipticity 0.1109475E-01 Gb(Abramov) 0.4853144E-01 Vb(Abramov) -0.5040236E-01 Hb(Abramov) -0.1870920E-02 Ex_ueg -0.1244105E-01 Ec_ueg -0.2236456E-02 Delta_ex -0.1507922E-01 Delta_ec 0.5515350E-02 Delta_et -0.5713269E-01 Pxc 0.5562841E+01 Qxc -0.2734045E+01 3,-1 157 3 -1 0.839196 2.945450 -1.968818 Rho 0.1288181E+00 |GRAD(Rho)| 0.5561132E-13 GRAD(Rho)x -0.3375547E-13 GRAD(Rho)y 0.4370684E-13 GRAD(Rho)z 0.6549760E-14 Laplacian 0.5059864E+00 (-1/4)Del**2(Rho)) -0.1264966E+00 Diamond 0.8463150E+00 Metallicity 0.4474752E+01 Ellipticity 0.5241931E-01 Gb(Abramov) 0.1786712E+00 Vb(Abramov) -0.2308458E+00 Hb(Abramov) -0.5217461E-01 Ex_ueg -0.4804934E-01 Ec_ueg -0.7101692E-02 Delta_ex -0.5226847E-01 Delta_ec 0.1315472E-01 Delta_et -0.1708103E+00 Pxc 0.6765900E+01 Qxc -0.3973363E+01 3,-1 158 3 -1 1.953856 -3.013201 0.828214 Rho 0.1236235E+00 |GRAD(Rho)| 0.1218348E-15 GRAD(Rho)x -0.9840490E-16 GRAD(Rho)y 0.4460137E-16 GRAD(Rho)z -0.5631075E-16 Laplacian 0.4800487E+00 (-1/4)Del**2(Rho)) -0.1200122E+00 Diamond 0.7790282E+00 Metallicity 0.4403818E+01 Ellipticity 0.2169643E-01 Gb(Abramov) 0.1680934E+00 Vb(Abramov) -0.2161747E+00 Hb(Abramov) -0.4808123E-01 Ex_ueg -0.4548340E-01 Ec_ueg -0.6777093E-02 Delta_ex -0.4929151E-01 Delta_ec 0.1294517E-01 Delta_et -0.1675540E+00 Pxc 0.6711344E+01 Qxc -0.3807713E+01 3,-1 159 3 -1 1.785753 -2.838886 -0.612331 Rho 0.2048555E+00 |GRAD(Rho)| 0.6011465E-15 GRAD(Rho)x 0.5229107E-15 GRAD(Rho)y -0.8676328E-16 GRAD(Rho)z 0.2835731E-15 Laplacian 0.7963532E+00 (-1/4)Del**2(Rho)) -0.1990883E+00 Diamond 0.2310259E+01 Metallicity 0.6160085E+01 Ellipticity 0.4789070E-02 Gb(Abramov) 0.3371257E+00 Vb(Abramov) -0.4751630E+00 Hb(Abramov) -0.1380374E+00 Ex_ueg -0.8918979E-01 Ec_ueg -0.1204360E-01 Delta_ex -0.9223595E-01 Delta_ec 0.1819896E-01 Delta_et -0.2491787E+00 Pxc 0.7405574E+01 Qxc -0.5068200E+01 3,-1 160 3 -1 1.716418 1.699147 -0.513507 Rho 0.4203405E-01 |GRAD(Rho)| 0.1378509E-16 GRAD(Rho)x 0.1276627E-16 GRAD(Rho)y -0.1133965E-17 GRAD(Rho)z -0.5075951E-17 Laplacian 0.1664811E+00 (-1/4)Del**2(Rho)) -0.4162028E-01 Diamond 0.6544141E-01 Metallicity 0.2103376E+01 Ellipticity 0.1315722E-01 Gb(Abramov) 0.4233737E-01 Vb(Abramov) -0.4305445E-01 Hb(Abramov) -0.7170863E-03 Ex_ueg -0.1079411E-01 Ec_ueg -0.1979524E-02 Delta_ex -0.1305517E-01 Delta_ec 0.4848763E-02 Delta_et -0.4881735E-01 Pxc 0.5452879E+01 Qxc -0.2692475E+01 3,-1 161 3 +1 1.988519 1.954384 -1.978748 Rho 0.1222665E-01 |GRAD(Rho)| 0.1268743E-16 GRAD(Rho)x -0.4141606E-17 GRAD(Rho)y -0.7392597E-17 GRAD(Rho)z -0.9442859E-17 Laplacian 0.5780463E-01 (-1/4)Del**2(Rho)) -0.1445116E-01 Diamond 0.1771789E-02 Metallicity 0.7735640E+00 Ellipticity -0.1055920E+01 Gb(Abramov) 0.1149725E-01 Vb(Abramov) -0.8543351E-02 Hb(Abramov) 0.2953903E-02 Ex_ueg -0.2080311E-02 Ec_ueg -0.4700420E-03 Delta_ex -0.2684992E-02 Delta_ec 0.4460171E-03 Delta_et -0.3591192E-02 Pxc 0.4425799E+01 Qxc -0.6019930E+01 3,+1 162 3 +3 1.945538 1.912337 -1.935837 Rho 0.1222133E-01 |GRAD(Rho)| 0.9130857E-17 GRAD(Rho)x -0.1671275E-17 GRAD(Rho)y 0.5787911E-17 GRAD(Rho)z 0.6861448E-17 Laplacian 0.5744925E-01 (-1/4)Del**2(Rho)) -0.1436231E-01 Diamond 0.1562373E-02 Metallicity 0.7777848E+00 Ellipticity -0.9332023E+00 Gb(Abramov) 0.1143667E-01 Vb(Abramov) -0.8511033E-02 Hb(Abramov) 0.2925639E-02 Ex_ueg -0.2079104E-02 Ec_ueg -0.4697959E-03 Delta_ex -0.2612470E-02 Delta_ec 0.3438485E-03 Delta_et -0.2895598E-02 Pxc 0.4425548E+01 Qxc -0.7597736E+01 3,+3 163 3 -1 1.949438 -0.863008 3.007135 Rho 0.1422729E+00 |GRAD(Rho)| 0.1359002E-12 GRAD(Rho)x 0.8279494E-13 GRAD(Rho)y 0.9424182E-13 GRAD(Rho)z -0.5227177E-13 Laplacian 0.5592801E+00 (-1/4)Del**2(Rho)) -0.1398200E+00 Diamond 0.1068076E+01 Metallicity 0.4777354E+01 Ellipticity 0.3567630E-01 Gb(Abramov) 0.2045416E+00 Vb(Abramov) -0.2692632E+00 Hb(Abramov) -0.6472161E-01 Ex_ueg -0.5485480E-01 Ec_ueg -0.7950717E-02 Delta_ex -0.5933596E-01 Delta_ec 0.1446149E-01 Delta_et -0.1912360E+00 Pxc 0.6899352E+01 Qxc -0.4103031E+01 3,-1 164 3 -1 1.926459 -0.607900 -2.807940 Rho 0.1553094E+00 |GRAD(Rho)| 0.5084602E-15 GRAD(Rho)x 0.2950114E-15 GRAD(Rho)y 0.4135689E-15 GRAD(Rho)z -0.2146720E-16 Laplacian 0.5930604E+00 (-1/4)Del**2(Rho)) -0.1482651E+00 Diamond 0.1275459E+01 Metallicity 0.5214071E+01 Ellipticity 0.1119879E+00 Gb(Abramov) 0.2276876E+00 Vb(Abramov) -0.3071100E+00 Hb(Abramov) -0.7942244E-01 Ex_ueg -0.6165694E-01 Ec_ueg -0.8784252E-02 Delta_ex -0.6444981E-01 Delta_ec 0.1529667E-01 Delta_et -0.2055155E+00 Pxc 0.7019031E+01 Qxc -0.4213324E+01 3,-1 165 3 -1 1.690175 -0.573464 1.711073 Rho 0.4215073E-01 |GRAD(Rho)| 0.5989374E-16 GRAD(Rho)x 0.2951867E-16 GRAD(Rho)y 0.2875423E-16 GRAD(Rho)z -0.4346380E-16 Laplacian 0.1681952E+00 (-1/4)Del**2(Rho)) -0.4204881E-01 Diamond 0.6611490E-01 Metallicity 0.2091581E+01 Ellipticity 0.3766631E-01 Gb(Abramov) 0.4269062E-01 Vb(Abramov) -0.4333243E-01 Hb(Abramov) -0.6418098E-03 Ex_ueg -0.1083408E-01 Ec_ueg -0.1985825E-02 Delta_ex -0.1318520E-01 Delta_ec 0.4874429E-02 Delta_et -0.4910825E-01 Pxc 0.5455704E+01 Qxc -0.2704973E+01 3,-1 166 3 -1 2.020041 0.831351 -2.991502 Rho 0.1529809E+00 |GRAD(Rho)| 0.5963054E-15 GRAD(Rho)x -0.1759796E-15 GRAD(Rho)y 0.5411253E-15 GRAD(Rho)z 0.1783106E-15 Laplacian 0.5988866E+00 (-1/4)Del**2(Rho)) -0.1497217E+00 Diamond 0.1248135E+01 Metallicity 0.5034973E+01 Ellipticity 0.4779334E-01 Gb(Abramov) 0.2254552E+00 Vb(Abramov) -0.3011887E+00 Hb(Abramov) -0.7573354E-01 Ex_ueg -0.6042750E-01 Ec_ueg -0.8634606E-02 Delta_ex -0.6468008E-01 Delta_ec 0.1521552E-01 Delta_et -0.2033218E+00 Pxc 0.6998293E+01 Qxc -0.4250927E+01 3,-1 167 3 -1 2.776488 -1.815574 -0.594062 Rho 0.1415243E+00 |GRAD(Rho)| 0.8133665E-15 GRAD(Rho)x -0.1094096E-15 GRAD(Rho)y -0.7136354E-15 GRAD(Rho)z 0.3745919E-15 Laplacian 0.5834227E+00 (-1/4)Del**2(Rho)) -0.1458557E+00 Diamond 0.1104573E+01 Metallicity 0.4539571E+01 Ellipticity 0.1237257E-01 Gb(Abramov) 0.2075908E+00 Vb(Abramov) -0.2693260E+00 Hb(Abramov) -0.6173514E-01 Ex_ueg -0.5447029E-01 Ec_ueg -0.7903174E-02 Delta_ex -0.6179014E-01 Delta_ec 0.1505577E-01 Delta_et -0.1988334E+00 Pxc 0.6892205E+01 Qxc -0.4104083E+01 3,-1 168 3 -1 1.997792 2.964794 -0.840312 Rho 0.1397342E+00 |GRAD(Rho)| 0.1011804E-12 GRAD(Rho)x 0.6359847E-13 GRAD(Rho)y -0.7734883E-13 GRAD(Rho)z 0.1448650E-13 Laplacian 0.5484838E+00 (-1/4)Del**2(Rho)) -0.1371210E+00 Diamond 0.1024715E+01 Metallicity 0.4727378E+01 Ellipticity 0.3575663E-01 Gb(Abramov) 0.1994511E+00 Vb(Abramov) -0.2617812E+00 Hb(Abramov) -0.6233010E-01 Ex_ueg -0.5355358E-01 Ec_ueg -0.7789626E-02 Delta_ex -0.5793238E-01 Delta_ec 0.1423815E-01 Delta_et -0.1877585E+00 Pxc 0.6874987E+01 Qxc -0.4068812E+01 3,-1 169 3 -1 2.958286 -0.866282 2.001369 Rho 0.1663254E+00 |GRAD(Rho)| 0.1572712E-14 GRAD(Rho)x -0.2840068E-15 GRAD(Rho)y 0.1268652E-14 GRAD(Rho)z 0.8850342E-15 Laplacian 0.6524906E+00 (-1/4)Del**2(Rho)) -0.1631227E+00 Diamond 0.1491865E+01 Metallicity 0.5312551E+01 Ellipticity 0.5056076E-01 Gb(Abramov) 0.2531813E+00 Vb(Abramov) -0.3432400E+00 Hb(Abramov) -0.9005868E-01 Ex_ueg -0.6755587E-01 Ec_ueg -0.9496637E-02 Delta_ex -0.7184196E-01 Delta_ec 0.1605046E-01 Delta_et -0.2163407E+00 Pxc 0.7113663E+01 Qxc -0.4476005E+01 3,-1 170 3 -1 2.771998 0.551167 1.815309 Rho 0.1329742E+00 |GRAD(Rho)| 0.1354525E-15 GRAD(Rho)x -0.9361408E-16 GRAD(Rho)y -0.7367154E-16 GRAD(Rho)z 0.6446937E-16 Laplacian 0.5573516E+00 (-1/4)Del**2(Rho)) -0.1393379E+00 Diamond 0.9822772E+00 Metallicity 0.4283147E+01 Ellipticity 0.1279814E-01 Gb(Abramov) 0.1923594E+00 Vb(Abramov) -0.2453809E+00 Hb(Abramov) -0.5302149E-01 Ex_ueg -0.5012738E-01 Ec_ueg -0.7362698E-02 Delta_ex -0.5817993E-01 Delta_ec 0.1466786E-01 Delta_et -0.1919821E+00 Pxc 0.6808290E+01 Qxc -0.3966491E+01 3,-1 171 3 -1 2.828851 -0.556002 -1.797757 Rho 0.1343943E+00 |GRAD(Rho)| 0.2635102E-15 GRAD(Rho)x 0.1013661E-15 GRAD(Rho)y -0.1623864E-15 GRAD(Rho)z -0.1810889E-15 Laplacian 0.5540418E+00 (-1/4)Del**2(Rho)) -0.1385104E+00 Diamond 0.9844966E+00 Metallicity 0.4385700E+01 Ellipticity 0.1576169E-01 Gb(Abramov) 0.1935845E+00 Vb(Abramov) -0.2486586E+00 Hb(Abramov) -0.5507407E-01 Ex_ueg -0.5084244E-01 Ec_ueg -0.7452141E-02 Delta_ex -0.5793130E-01 Delta_ec 0.1445121E-01 Delta_et -0.1892874E+00 Pxc 0.6822527E+01 Qxc -0.4008751E+01 3,-1 172 3 -1 3.170545 0.036767 3.215016 Rho 0.2443483E+00 |GRAD(Rho)| 0.5511925E-15 GRAD(Rho)x 0.5493652E-15 GRAD(Rho)y 0.3857049E-16 GRAD(Rho)z 0.2287667E-16 Laplacian 0.8876572E+00 (-1/4)Del**2(Rho)) -0.2219143E+00 Diamond 0.3204719E+01 Metallicity 0.7413959E+01 Ellipticity 0.6381735E-02 Gb(Abramov) 0.4221534E+00 Vb(Abramov) -0.6223925E+00 Hb(Abramov) -0.2002391E+00 Ex_ueg -0.1128230E+00 Ec_ueg -0.1474022E-01 Delta_ex -0.1077347E+00 Delta_ec 0.1947424E-01 Delta_et -0.2697685E+00 Pxc 0.7654091E+01 Qxc -0.5532164E+01 3,-1 173 3 -1 2.960561 0.027857 0.001946 Rho 0.5489431E-02 |GRAD(Rho)| 0.1554869E-16 GRAD(Rho)x -0.1570697E-17 GRAD(Rho)y 0.1211114E-16 GRAD(Rho)z 0.9623672E-17 Laplacian 0.2204883E-01 (-1/4)Del**2(Rho)) -0.5512207E-02 Diamond 0.6732272E-03 Metallicity 0.5338754E+00 Ellipticity 0.3548937E+01 Gb(Abramov) 0.4165277E-02 Vb(Abramov) -0.2818346E-02 Hb(Abramov) 0.1346930E-02 Ex_ueg -0.7151902E-03 Ec_ueg -0.1680355E-03 Delta_ex -0.1190308E-02 Delta_ec 0.8264044E-03 Delta_et -0.4562795E-02 Pxc 0.4256186E+01 Qxc -0.1440346E+01 3,-1 174 3 -1 3.024757 0.854886 -1.969919 Rho 0.1371101E+00 |GRAD(Rho)| 0.1000484E-12 GRAD(Rho)x -0.3360234E-13 GRAD(Rho)y -0.6927984E-13 GRAD(Rho)z -0.6388169E-13 Laplacian 0.5541089E+00 (-1/4)Del**2(Rho)) -0.1385272E+00 Diamond 0.1009848E+01 Metallicity 0.4533850E+01 Ellipticity 0.2948606E-01 Gb(Abramov) 0.1970284E+00 Vb(Abramov) -0.2555296E+00 Hb(Abramov) -0.5850120E-01 Ex_ueg -0.5221689E-01 Ec_ueg -0.7623553E-02 Delta_ex -0.5823444E-01 Delta_ec 0.1440896E-01 Delta_et -0.1893749E+00 Pxc 0.6849417E+01 Qxc -0.4041543E+01 3,-1 175 3 -1 3.161827 -3.232342 -0.104766 Rho 0.2397674E+00 |GRAD(Rho)| 0.3162383E-15 GRAD(Rho)x -0.9085614E-16 GRAD(Rho)y 0.2887230E-15 GRAD(Rho)z -0.9160153E-16 Laplacian 0.8803990E+00 (-1/4)Del**2(Rho)) -0.2200997E+00 Diamond 0.3100993E+01 Metallicity 0.7242977E+01 Ellipticity 0.1161870E-01 Gb(Abramov) 0.4124294E+00 Vb(Abramov) -0.6047590E+00 Hb(Abramov) -0.1923296E+00 Ex_ueg -0.1100116E+00 Ec_ueg -0.1442303E-01 Delta_ex -0.1062947E+00 Delta_ec 0.1936781E-01 Delta_et -0.2678873E+00 Pxc 0.7627494E+01 Qxc -0.5488215E+01 3,-1 176 3 -1 3.283440 -0.010873 -3.195212 Rho 0.2439474E+00 |GRAD(Rho)| 0.2556894E-10 GRAD(Rho)x 0.1856305E-10 GRAD(Rho)y -0.3370822E-11 GRAD(Rho)z -0.1725750E-10 Laplacian 0.8870644E+00 (-1/4)Del**2(Rho)) -0.2217661E+00 Diamond 0.3193791E+01 Metallicity 0.7398634E+01 Ellipticity 0.2750769E-02 Gb(Abramov) 0.4213051E+00 Vb(Abramov) -0.6208441E+00 Hb(Abramov) -0.1995390E+00 Ex_ueg -0.1125762E+00 Ec_ueg -0.1471241E-01 Delta_ex -0.1076037E+00 Delta_ec 0.1944790E-01 Delta_et -0.2692874E+00 Pxc 0.7651785E+01 Qxc -0.5532921E+01 3,-1 177 3 -1 3.204791 3.196567 0.086560 Rho 0.2454539E+00 |GRAD(Rho)| 0.4709726E-14 GRAD(Rho)x -0.4573165E-15 GRAD(Rho)y 0.3519212E-14 GRAD(Rho)z 0.3096373E-14 Laplacian 0.8914700E+00 (-1/4)Del**2(Rho)) -0.2228675E+00 Diamond 0.3236717E+01 Metallicity 0.7438005E+01 Ellipticity 0.1419564E-02 Gb(Abramov) 0.4248599E+00 Vb(Abramov) -0.6268523E+00 Hb(Abramov) -0.2019924E+00 Ex_ueg -0.1135041E+00 Ec_ueg -0.1481694E-01 Delta_ex -0.1083290E+00 Delta_ec 0.1953784E-01 Delta_et -0.2707125E+00 Pxc 0.7660430E+01 Qxc -0.5544576E+01 3,-1 178 3 -1 3.001935 1.982139 -0.818144 Rho 0.1432167E+00 |GRAD(Rho)| 0.1100211E-11 GRAD(Rho)x 0.4767984E-12 GRAD(Rho)y -0.5961011E-12 GRAD(Rho)z -0.7923326E-12 Laplacian 0.5689254E+00 (-1/4)Del**2(Rho)) -0.1422313E+00 Diamond 0.1094276E+01 Metallicity 0.4748398E+01 Ellipticity 0.3152466E-01 Gb(Abramov) 0.2073827E+00 Vb(Abramov) -0.2725341E+00 Hb(Abramov) -0.6515139E-01 Ex_ueg -0.5534051E-01 Ec_ueg -0.8010707E-02 Delta_ex -0.6044732E-01 Delta_ec 0.1467045E-01 Delta_et -0.1941545E+00 Pxc 0.6908318E+01 Qxc -0.4120345E+01 3,-1 179 3 -1 -2.979911 0.885445 2.060195 Rho 0.1391968E+00 |GRAD(Rho)| 0.1972030E-12 GRAD(Rho)x 0.6575426E-13 GRAD(Rho)y -0.1492251E-12 GRAD(Rho)z 0.1108931E-12 Laplacian 0.5499540E+00 (-1/4)Del**2(Rho)) -0.1374885E+00 Diamond 0.1020743E+01 Metallicity 0.4684563E+01 Ellipticity 0.4603328E-01 Gb(Abramov) 0.1990046E+00 Vb(Abramov) -0.2605207E+00 Hb(Abramov) -0.6151608E-01 Ex_ueg -0.5327918E-01 Ec_ueg -0.7755583E-02 Delta_ex -0.5801155E-01 Delta_ec 0.1425090E-01 Delta_et -0.1877365E+00 Pxc 0.6869783E+01 Qxc -0.4070730E+01 3,-1 180 3 -1 -0.585755 1.772020 -2.731967 Rho 0.1369941E+00 |GRAD(Rho)| 0.3225910E-15 GRAD(Rho)x 0.1425048E-15 GRAD(Rho)y 0.2843998E-15 GRAD(Rho)z -0.5361041E-16 Laplacian 0.5862229E+00 (-1/4)Del**2(Rho)) -0.1465557E+00 Diamond 0.1044509E+01 Metallicity 0.4279438E+01 Ellipticity 0.2182560E-01 Gb(Abramov) 0.2022332E+00 Vb(Abramov) -0.2579106E+00 Hb(Abramov) -0.5567745E-01 Ex_ueg -0.5215799E-01 Ec_ueg -0.7616220E-02 Delta_ex -0.6134074E-01 Delta_ec 0.1478995E-01 Delta_et -0.1934366E+00 Pxc 0.6848277E+01 Qxc -0.4147462E+01 3,-1 181 3 -1 -1.805890 0.450280 -2.842724 Rho 0.1232991E+00 |GRAD(Rho)| 0.2693920E-12 GRAD(Rho)x -0.1872515E-12 GRAD(Rho)y -0.1934390E-12 GRAD(Rho)z -0.9499308E-14 Laplacian 0.5068613E+00 (-1/4)Del**2(Rho)) -0.1267153E+00 Diamond 0.8114189E+00 Metallicity 0.4152635E+01 Ellipticity 0.1368901E-01 Gb(Abramov) 0.1721773E+00 Vb(Abramov) -0.2176393E+00 Hb(Abramov) -0.4546199E-01 Ex_ueg -0.4532435E-01 Ec_ueg -0.6756885E-02 Delta_ex -0.5190169E-01 Delta_ec 0.1347966E-01 Delta_et -0.1740593E+00 Pxc 0.6707877E+01 Qxc -0.3850372E+01 3,-1 182 3 -1 -0.844278 -3.489268 -1.278568 Rho 0.3183494E+00 |GRAD(Rho)| 0.3230542E-15 GRAD(Rho)x -0.3021832E-16 GRAD(Rho)y 0.1414994E-15 GRAD(Rho)z 0.2888405E-15 Laplacian -0.1654916E+01 (-1/4)Del**2(Rho)) 0.4137290E+00 Diamond 0.5683548E+01 Metallicity -0.6180315E+01 Ellipticity 0.2341028E-02 Gb(Abramov) 0.1503432E+00 Vb(Abramov) -0.7144155E+00 Hb(Abramov) -0.5640723E+00 Ex_ueg -0.1605427E+00 Ec_ueg -0.2002369E-01 Delta_ex 0.1647018E+00 Delta_ec 0.5731929E-01 Delta_et -0.1359264E+01 Pxc 0.8017635E+01 Qxc 0.2873410E+01 3,-1 183 3 -1 1.783128 0.543959 2.751715 Rho 0.1394012E+00 |GRAD(Rho)| 0.1164035E-13 GRAD(Rho)x 0.9992400E-14 GRAD(Rho)y -0.9864885E-15 GRAD(Rho)z 0.5888675E-14 Laplacian 0.5849128E+00 (-1/4)Del**2(Rho)) -0.1462282E+00 Diamond 0.1081500E+01 Metallicity 0.4415360E+01 Ellipticity 0.1201519E-01 Gb(Abramov) 0.2050938E+00 Vb(Abramov) -0.2639595E+00 Hb(Abramov) -0.5886564E-01 Ex_ueg -0.5338350E-01 Ec_ueg -0.7768529E-02 Delta_ex -0.6165480E-01 Delta_ec 0.1503285E-01 Delta_et -0.1978371E+00 Pxc 0.6871764E+01 Qxc -0.4101338E+01 3,-1 184 3 -1 2.783637 1.802053 0.589595 Rho 0.1484980E+00 |GRAD(Rho)| 0.2791403E-15 GRAD(Rho)x -0.7115754E-16 GRAD(Rho)y 0.2699121E-15 GRAD(Rho)z -0.1829591E-17 Laplacian 0.6250237E+00 (-1/4)Del**2(Rho)) -0.1562559E+00 Diamond 0.1249380E+01 Metallicity 0.4591111E+01 Ellipticity 0.1156955E-01 Gb(Abramov) 0.2237353E+00 Vb(Abramov) -0.2912148E+00 Hb(Abramov) -0.6747942E-01 Ex_ueg -0.5807813E-01 Ec_ueg -0.8347436E-02 Delta_ex -0.6693560E-01 Delta_ec 0.1586164E-01 Delta_et -0.2107701E+00 Pxc 0.6957602E+01 Qxc -0.4219966E+01 3,-1 185 3 -1 2.929219 -2.003512 0.821056 Rho 0.1033866E+00 |GRAD(Rho)| 0.1035086E-12 GRAD(Rho)x -0.3149523E-13 GRAD(Rho)y -0.6109180E-13 GRAD(Rho)z -0.7739428E-13 Laplacian 0.4114023E+00 (-1/4)Del**2(Rho)) -0.1028506E+00 Diamond 0.5306168E+00 Metallicity 0.3814641E+01 Ellipticity 0.1852874E-02 Gb(Abramov) 0.1339567E+00 Vb(Abramov) -0.1650628E+00 Hb(Abramov) -0.3110614E-01 Ex_ueg -0.3583748E-01 Ec_ueg -0.5530654E-02 Delta_ex -0.4037198E-01 Delta_ec 0.1132844E-01 Delta_et -0.1415696E+00 Pxc 0.6479791E+01 Qxc -0.3563772E+01 3,-1 186 3 -1 -3.243687 0.041030 -3.216604 Rho 0.2256747E+00 |GRAD(Rho)| 0.3307104E-15 GRAD(Rho)x 0.1097213E-15 GRAD(Rho)y -0.1858051E-15 GRAD(Rho)z 0.2506133E-15 Laplacian 0.8281076E+00 (-1/4)Del**2(Rho)) -0.2070269E+00 Diamond 0.2722046E+01 Metallicity 0.6960886E+01 Ellipticity 0.1958428E-01 Gb(Abramov) 0.3781997E+00 Vb(Abramov) -0.5493725E+00 Hb(Abramov) -0.1711728E+00 Ex_ueg -0.1014757E+00 Ec_ueg -0.1345447E-01 Delta_ex -0.9847584E-01 Delta_ec 0.1864965E-01 Delta_et -0.2577586E+00 Pxc 0.7542158E+01 Qxc -0.5280306E+01 3,-1 187 3 -1 -3.167402 -0.049929 3.246886 Rho 0.2441897E+00 |GRAD(Rho)| 0.8530014E-13 GRAD(Rho)x 0.5923268E-13 GRAD(Rho)y 0.1667606E-13 GRAD(Rho)z -0.5907210E-13 Laplacian 0.9016647E+00 (-1/4)Del**2(Rho)) -0.2254162E+00 Diamond 0.3241057E+01 Metallicity 0.7290889E+01 Ellipticity 0.1472651E-02 Gb(Abramov) 0.4241915E+00 Vb(Abramov) -0.6229668E+00 Hb(Abramov) -0.1987753E+00 Ex_ueg -0.1127254E+00 Ec_ueg -0.1472922E-01 Delta_ex -0.1093554E+00 Delta_ec 0.1967683E-01 Delta_et -0.2720789E+00 Pxc 0.7653179E+01 Qxc -0.5557573E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 132 122 116 138 115 130 140 125 143 111 128 180 120 149 157 136 117 135 139 118 107 137 156 167 159 185 158 175 160 184 151 178 168 177 66 68 90 65 93 67 85 72 84 62 83 60 95 80 181 76 94 186 112 61 97 179 82 187 165 170 183 169 163 172 119 171 164 174 166 176 110 123 73 173 77 153 126 121 152 131 182 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 17 18 21 21 22 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 19 20 36 52 24 27 52 53 53 2.372139 1.972779 1.902176 1.954661 1.916780 1.736125 1.713806 1.691350 1.708383 1.711115 2.376661 1.921504 1.909343 2.014356 1.961174 1.726720 2.440208 1.959474 1.964439 1.969548 1.877380 1.727532 2.398075 1.936917 1.803556 2.074068 2.001281 1.743991 2.441673 1.916269 1.913111 1.941586 1.953009 1.735123 2.401105 1.795016 1.983644 1.961262 2.091052 1.733892 2.329104 1.938847 1.986501 1.915978 1.934613 1.735529 2.354622 2.285616 1.965277 1.991528 1.737731 1.740381 2.360884 1.949783 1.909487 1.954268 1.934543 1.736796 2.440739 1.959366 1.942416 1.884419 1.944243 1.736845 2.430405 1.957721 1.915321 1.957387 1.917057 1.737493 3.173055 3.058068 3.207515 3.256684 3.254346 1.008870 3.235161 3.232611 1.676965 1.866012 0.997563 2.373769 1.973128 1.902671 1.955303 1.917409 1.736130 1.713826 1.691387 1.708403 1.711130 2.378256 1.921994 1.909996 2.015221 1.961977 1.726739 2.441981 1.960097 1.964987 1.970275 1.878030 1.727547 2.399664 1.937299 1.803676 2.074616 2.001917 1.744012 2.443438 1.916703 1.913597 1.942210 1.953626 1.735127 2.402760 1.795353 1.984180 1.961995 2.091829 1.733919 2.331233 1.939352 1.986901 1.916666 1.935919 1.735543 2.357082 2.286087 1.965817 1.992361 1.737758 1.740417 2.362555 1.950203 1.909968 1.954910 1.935144 1.736804 2.442386 1.959761 1.942891 1.884935 1.944837 1.736853 2.431949 1.958222 1.916628 1.957987 1.917658 1.737499 3.211286 3.062728 3.225219 3.262109 3.259524 1.008962 3.240756 3.240289 1.681095 1.866821 0.997687 30 28 27 28 26 22 22 23 22 23 30 27 27 26 26 24 32 28 26 27 26 24 27 25 25 28 24 24 27 28 26 27 25 22 30 24 27 27 30 24 30 27 27 27 27 22 30 29 26 27 24 24 30 27 28 27 28 24 27 24 27 24 25 25 29 27 25 29 24 23 35 35 35 35 35 18 35 35 24 27 23 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 Mo Mo W W Mo W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.4926 2.4851 2.3565 2.3363 2.4286 2.4814 2.3415 2.4693 2.2634 2.4630 2.4869 2.4556 -1.1287 -1.0356 -1.1251 -1.1223 -0.9570 -0.9736 -0.8440 -0.9582 -0.7671 -0.9318 -0.9215 -0.9532 -0.9082 -0.9609 -0.9279 -0.8977 -0.9627 -0.9516 -0.9652 -0.9341 -0.9661 -0.9295 -0.9286 -0.7020 -0.7831 -0.8925 -0.9704 -0.9257 -0.7810 -0.7849 -0.7000 -0.7103 -0.8040 -0.7787 -0.7246 -0.7732 -0.7297 -0.7801 -0.7867 0.2949 0.3222 2.0856 0.8282 1.9474 1.9515 2.1091 2.0856 1.9334 2.1105 1.9902 2.0928 2.0850 2.0977 1.9344 1.9480 1.9369 1.9356 1.9328 1.9309 1.9622 1.9330 1.8787 1.9357 1.9404 1.9328 1.9414 1.9314 1.9360 1.9586 1.9447 1.9443 1.9440 1.9476 1.9428 1.9456 1.9465 1.9754 1.8801 1.9513 1.9431 1.9457 1.9673 1.9656 1.9786 1.9773 1.9635 1.9680 1.9749 1.9678 1.9730 1.9674 1.9663 0.5408 0.5376 6.0861 1.1356 6.0615 6.0727 6.1035 6.0903 6.0672 6.1015 6.0752 6.0975 6.0849 6.1068 5.1563 5.0506 5.1507 5.1492 4.9946 5.0129 4.8528 4.9950 4.8563 4.9696 4.9558 4.9902 4.9405 4.9990 4.9636 4.9062 4.9876 4.9772 4.9892 4.9568 4.9910 4.9549 4.9517 4.6941 4.8719 4.9145 4.9957 4.9504 4.7777 4.7836 4.6875 4.6992 4.8058 4.7745 4.7170 4.7694 4.7249 4.7768 4.7844 0.1643 0.1402 3.3063 10.5511 3.6346 3.6395 3.3302 3.3134 3.6579 3.2895 3.6712 3.3172 3.3140 3.3110 0.0380 0.0371 0.0375 0.0376 0.0296 0.0298 0.0290 0.0302 0.0321 0.0265 0.0252 0.0301 0.0263 0.0306 0.0283 0.0329 0.0304 0.0300 0.0319 0.0297 0.0322 0.0289 0.0303 0.0325 0.0311 0.0268 0.0316 0.0296 0.0360 0.0357 0.0339 0.0337 0.0347 0.0362 0.0327 0.0360 0.0318 0.0360 0.0359 0.0000 0.0000 14.0294 0.0000 0.0000 0.0000 14.0287 14.0293 0.0000 14.0291 0.0000 14.0295 14.0292 14.0289 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As Mo Mo W W Mo W Mo W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.515275 2.317492 3.176002 3.177404 2.486674 2.513763 3.160586 2.531301 3.150034 2.513974 2.510024 2.512162 -1.096952 -1.077044 -1.137929 -1.173098 -0.960733 -0.965120 -1.118020 -0.955609 -0.620949 -1.075980 -1.187825 -0.957111 -1.184487 -0.956758 -1.065714 -0.770874 -0.947362 -1.044346 -0.941795 -1.050454 -0.943415 -1.030559 -1.045473 -0.971896 -0.599299 -1.143668 -0.944572 -1.044678 -0.812849 -0.822780 -0.968606 -0.981319 -0.844760 -0.809537 -0.996022 -0.803067 -0.998989 -0.811303 -0.819909 0.048038 0.068134 1.936564 1.700634 2.375430 2.367020 1.911299 1.947255 2.367521 1.956768 2.357135 1.942340 1.940782 1.944473 -0.743666 -0.779104 -0.807998 -0.857618 -0.711624 -0.731628 -0.895345 -0.719964 -0.738771 -0.817846 -0.913984 -0.722496 -0.918727 -0.712923 -0.818155 -0.640158 -0.789817 -0.842284 -0.762965 -0.852940 -0.770021 -0.836754 -0.855029 -0.753156 -0.770301 -0.942674 -0.777779 -0.843407 -0.710517 -0.706285 -0.737841 -0.752183 -0.744382 -0.700701 -0.760670 -0.685597 -0.780829 -0.700483 -0.717009 0.274925 0.301486 2.037616 1.667398 2.462591 2.452277 2.006381 2.048731 2.443268 2.059519 2.444317 2.043019 2.044567 2.045738 -0.792672 -0.827180 -0.843091 -0.881390 -0.802102 -0.819058 -0.937344 -0.799779 -0.782187 -0.903859 -1.010043 -0.793687 -0.988936 -0.821277 -0.895681 -0.744579 -0.820179 -0.880403 -0.810292 -0.904051 -0.801363 -0.886665 -0.891920 -0.739461 -0.793459 -0.971252 -0.818982 -0.879662 -0.677041 -0.684661 -0.701195 -0.714327 -0.714570 -0.663499 -0.719550 -0.664949 -0.773063 -0.659667 -0.685969 0.362998 0.380627 -0.33996079 0.65239815 -1.71428706 1.86546960 -17.80396071 1.52655294 -2.45168273 11.69700807 10.27027896 6.10695264 -365.9349 410.0498 -87.7404 -375.6238 -29.4258 -448.6751 Jun10-2024 15:28:20 Nodes: 1 Procs: 1 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:30 Nodes: 1 Procs: 1 Jun10-2024 15:28:35 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:41 Nodes: 1 Procs: 1 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:52 Nodes: 1 Procs: 1 Jun10-2024 15:28:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:29:03 Nodes: 1 Procs: 1 Jun10-2024 15:29:09 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:21 Nodes: 1 Procs: 5 *** (NO TITLE) *** -5 -15.90660650 -16.31840815 -16.10174522 -16.23823928 -16.39250685 -16.42727445 -16.46393213 -16.46756736 -16.46790624 -16.47053348 -16.47311689 -16.47438345 -16.47641430 -16.47858597 -16.48097270 -16.48460504 -16.48681202 -16.48758167 -16.48785176 -16.48795788 -16.48824888 -16.48831045 -16.48837510 -16.48840094 -16.48843414 -16.48844741 -16.48846878 -16.48848819 -16.48849623 -16.48850020 -16.48850215 -16.48850665 GEOMETRY CONVERGED