ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:16:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.04 1.64 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun19-2024 22:16:40 Nodes: 1 Procs: 1 Jun19-2024 22:16:42 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:16:44 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.36 0.06 1.96 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun19-2024 22:16:40 Nodes: 1 Procs: 1 Jun19-2024 22:16:42 Nodes: 1 Procs: 1 0 Jun19-2024 22:16:44 Nodes: 1 Procs: 1 Jun19-2024 22:16:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:16:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.45 0.07 3.24 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 22:16:40 Nodes: 1 Procs: 1 Jun19-2024 22:16:42 Nodes: 1 Procs: 1 0 Jun19-2024 22:16:44 Nodes: 1 Procs: 1 Jun19-2024 22:16:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:16:50 Nodes: 1 Procs: 1 Jun19-2024 22:16:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:16:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.05 1.49 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun19-2024 22:16:40 Nodes: 1 Procs: 1 Jun19-2024 22:16:42 Nodes: 1 Procs: 1 0 Jun19-2024 22:16:44 Nodes: 1 Procs: 1 Jun19-2024 22:16:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:16:50 Nodes: 1 Procs: 1 Jun19-2024 22:16:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:16:56 Nodes: 1 Procs: 1 Jun19-2024 22:16:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:17:00 Hydrogen (TZP) c1-12 c1-12 c1-12 c1-12 c1-12 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.44 0.09 3.32 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun19-2024 22:16:40 Nodes: 1 Procs: 1 Jun19-2024 22:16:42 Nodes: 1 Procs: 1 0 Jun19-2024 22:16:44 Nodes: 1 Procs: 1 Jun19-2024 22:16:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:16:50 Nodes: 1 Procs: 1 Jun19-2024 22:16:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:16:56 Nodes: 1 Procs: 1 Jun19-2024 22:16:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:17:00 Nodes: 1 Procs: 1 Jun19-2024 22:17:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:17:08 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2709.5698000000057 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun19-2024 22:17:03 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun19-2024 22:16:46 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun19-2024 22:16:52 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun19-2024 22:16:58 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 22:16:42 1 1 Hydrogen TZP 1 1 -16.80016499 0.25493580 0.00100000 F 0.09134144 0.00066667 F 0.25493580 0.09134144 0.23411531 0.01000000 F 0.06451178 0.00666667 F Cartesian 2709.5698000000057 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273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -5.287 -5.183 -5.164 -5.106 -5.075 -4.990 -4.873 -4.750 -4.689 -4.167 -1.939 -1.794 -1.624 -1.447 -1.402 -1.385 -1.357 -1.332 -1.200 -1.129 A A A A A A A A A A A A A A A A A A A A 0.00000000061450 0.00041671762072 0.00031248354156 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 74 74 74 74 74 74 74 33 73 73 73 73 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 0.079440 -2.539119 2.545963 2.482464 -2.604133 0.038308 2.541390 2.589882 -0.087241 -2.649286 -2.514114 -0.109857 -2.574878 0.160721 2.611301 2.549758 -0.114120 2.538677 2.653464 0.133818 -2.555435 -0.107457 -0.055144 -0.053441 0.031236 2.523099 -2.597791 -0.151147 2.595522 2.590846 -2.593463 2.555423 0.039182 -2.626315 -0.190229 -2.756629 0.931200 -1.012279 0.944509 -1.088246 -1.037462 -1.016939 0.928713 0.943532 -0.995994 -0.994555 0.972751 1.001927 -2.998541 -1.153586 1.201714 3.062541 -1.164168 -1.105892 -3.038614 1.126657 -1.096371 3.033215 1.134349 1.160228 1.385852 -1.228137 -3.087527 1.184675 1.103176 3.020805 -1.214847 1.188295 -3.179623 -1.136680 -1.148289 3.054570 -1.170731 3.168008 -1.209845 -1.162356 -2.991301 1.203884 1.237912 3.066453 1.183043 1.207425 -3.085428 -1.160299 3.378885 -1.526862 1.536755 -3.539171 -1.656010 -1.487490 3.480778 1.472009 -1.431354 -3.481488 1.479563 1.654426 1.506989 -1.529845 3.432212 1.651490 1.434800 -3.447629 -1.546895 1.461084 3.549301 -1.973706 -1.494969 -3.852991 -1.585624 -3.685150 -1.265654 -1.542310 3.472051 1.589637 1.507308 -3.437618 1.541247 1.626007 3.399868 -1.504636 -0.225336 -3.760176 3.770649 3.971704 -0.155805 -3.677749 -0.106005 3.787200 -3.873479 0.229322 3.792711 3.878775 3.757202 -3.798767 -0.190232 3.816412 3.748927 0.242019 -3.911132 3.772275 -0.215783 -3.855892 -3.704479 0.348148 -4.087795 0.370603 -3.690702 -3.762824 -0.281705 3.825697 3.777139 0.185300 3.759533 1.170048 -1.926408 -2.395514 -0.630374 -3.397872 -1.256760 1 3 -3 0.079440 -2.539119 2.545963 Rho 0.4361414E+07 3,-3 2 3 -3 2.482464 -2.604133 0.038308 Rho 0.4361415E+07 3,-3 3 3 -3 2.541390 2.589882 -0.087241 Rho 0.4361415E+07 3,-3 4 3 -3 -2.649286 -2.514114 -0.109857 Rho 0.4361415E+07 3,-3 5 3 -3 -2.574878 0.160721 2.611301 Rho 0.4361415E+07 3,-3 6 3 -3 2.549758 -0.114120 2.538677 Rho 0.4361415E+07 3,-3 7 3 -3 2.653464 0.133818 -2.555435 Rho 0.4361415E+07 3,-3 8 3 -3 -0.107457 -0.055144 -0.053441 Rho 0.4276090E+05 3,-3 9 3 -3 0.031236 2.523099 -2.597791 Rho 0.3882647E+07 3,-3 10 3 -3 -0.151147 2.595522 2.590846 Rho 0.3882646E+07 3,-3 11 3 -3 -2.593463 2.555423 0.039182 Rho 0.3882647E+07 3,-3 12 3 -3 -2.626315 -0.190229 -2.756629 Rho 0.3882646E+07 3,-3 13 3 -3 0.931200 -1.012279 0.944509 Rho 0.3190080E+03 3,-3 14 3 -3 -1.088246 -1.037462 -1.016939 Rho 0.3191111E+03 3,-3 15 3 -3 0.928713 0.943532 -0.995994 Rho 0.3190190E+03 3,-3 16 3 -3 -0.994555 0.972751 1.001927 Rho 0.3189931E+03 3,-3 17 3 -3 -2.998541 -1.153586 1.201714 Rho 0.3188473E+03 3,-3 18 3 -3 3.062541 -1.164168 -1.105892 Rho 0.3188485E+03 3,-3 19 3 -3 -3.038614 1.126657 -1.096371 Rho 0.3188952E+03 3,-3 20 3 -3 3.033215 1.134349 1.160228 Rho 0.3188569E+03 3,-3 21 3 -3 1.385852 -1.228137 -3.087527 Rho 0.3187151E+03 3,-3 22 3 -3 1.184675 1.103176 3.020805 Rho 0.3188759E+03 3,-3 23 3 -3 -1.214847 1.188295 -3.179623 Rho 0.3187979E+03 3,-3 24 3 -3 -1.136680 -1.148289 3.054570 Rho 0.3188676E+03 3,-3 25 3 -3 -1.170731 3.168008 -1.209845 Rho 0.3188010E+03 3,-3 26 3 -3 -1.162356 -2.991301 1.203884 Rho 0.3188912E+03 3,-3 27 3 -3 1.237912 3.066453 1.183043 Rho 0.3188545E+03 3,-3 28 3 -3 1.207425 -3.085428 -1.160299 Rho 0.3191184E+03 3,-3 29 3 -3 3.378885 -1.526862 1.536755 Rho 0.3189469E+03 3,-3 30 3 -3 -3.539171 -1.656010 -1.487490 Rho 0.3189535E+03 3,-3 31 3 -3 3.480778 1.472009 -1.431354 Rho 0.3189189E+03 3,-3 32 3 -3 -3.481488 1.479563 1.654426 Rho 0.3189555E+03 3,-3 33 3 -3 1.506989 -1.529845 3.432212 Rho 0.3189206E+03 3,-3 34 3 -3 1.651490 1.434800 -3.447629 Rho 0.3189475E+03 3,-3 35 3 -3 -1.546895 1.461084 3.549301 Rho 0.3189020E+03 3,-3 36 3 -3 -1.973706 -1.494969 -3.852991 Rho 0.3190553E+03 3,-3 37 3 -3 -1.585624 -3.685150 -1.265654 Rho 0.3186951E+03 3,-3 38 3 -3 -1.542310 3.472051 1.589637 Rho 0.3188818E+03 3,-3 39 3 -3 1.507308 -3.437618 1.541247 Rho 0.3189142E+03 3,-3 40 3 -3 1.626007 3.399868 -1.504636 Rho 0.3189457E+03 3,-3 41 3 -3 -0.225336 -3.760176 3.770649 Rho 0.3192328E+03 3,-3 42 3 -3 3.971704 -0.155805 -3.677749 Rho 0.3192257E+03 3,-3 43 3 -3 -0.106005 3.787200 -3.873479 Rho 0.3190867E+03 3,-3 44 3 -3 0.229322 3.792711 3.878775 Rho 0.3190955E+03 3,-3 45 3 -3 3.757202 -3.798767 -0.190232 Rho 0.3192058E+03 3,-3 46 3 -3 3.816412 3.748927 0.242019 Rho 0.3192330E+03 3,-3 47 3 -3 -3.911132 3.772275 -0.215783 Rho 0.3190559E+03 3,-3 48 3 -3 -3.855892 -3.704479 0.348148 Rho 0.3192354E+03 3,-3 49 3 -3 -4.087795 0.370603 -3.690702 Rho 0.3190252E+03 3,-3 50 3 -3 -3.762824 -0.281705 3.825697 Rho 0.3192313E+03 3,-3 51 3 -3 3.777139 0.185300 3.759533 Rho 0.3192217E+03 3,-3 52 3 -3 1.170048 -1.926408 -2.395514 Rho 0.4310945E+00 3,-3 53 3 -3 -0.630374 -3.397872 -1.256760 Rho 0.4405947E+00 3,-3 54 3 +1 -2.228636 1.457232 1.043084 Rho 0.2402044E-01 |GRAD(Rho)| 0.6578067E-15 GRAD(Rho)x 0.5047615E-15 GRAD(Rho)y 0.2879024E-15 GRAD(Rho)z 0.3082819E-15 Laplacian 0.9068057E-01 (-1/4)Del**2(Rho)) -0.2267014E-01 Diamond 0.9011774E-02 Metallicity 0.1519616E+01 Ellipticity -0.2021059E+01 Gb(Abramov) 0.2085508E-01 Vb(Abramov) -0.1904002E-01 Hb(Abramov) 0.1815061E-02 Ex_ueg -0.5118701E-02 Ec_ueg -0.1039522E-02 Delta_ex -0.5326485E-02 Delta_ec 0.1086101E-02 Delta_et -0.9611140E-02 Pxc 0.4924089E+01 Qxc -0.4904225E+01 3,+1 55 3 +1 -0.665744 0.518522 -1.744984 Rho 0.7380480E-02 |GRAD(Rho)| 0.7151539E-15 GRAD(Rho)x 0.6673387E-15 GRAD(Rho)y 0.2134540E-15 GRAD(Rho)z 0.1433235E-15 Laplacian 0.2668089E-01 (-1/4)Del**2(Rho)) -0.6670224E-02 Diamond 0.5908052E-03 Metallicity 0.7225820E+00 Ellipticity -0.1491532E+01 Gb(Abramov) 0.5250113E-02 Vb(Abramov) -0.3830002E-02 Hb(Abramov) 0.1420111E-02 Ex_ueg -0.1061283E-02 Ec_ueg -0.2507503E-03 Delta_ex -0.1178993E-02 Delta_ec 0.3862822E-03 Delta_et -0.2528746E-02 Pxc 0.4232429E+01 Qxc -0.3052155E+01 3,+1 56 3 +1 -1.692757 -0.540066 0.581394 Rho 0.9481929E-02 |GRAD(Rho)| 0.2231459E-13 GRAD(Rho)x 0.4446356E-14 GRAD(Rho)y 0.2169747E-13 GRAD(Rho)z 0.2718616E-14 Laplacian 0.3618563E-01 (-1/4)Del**2(Rho)) -0.9046407E-02 Diamond 0.1145442E-02 Metallicity 0.8089187E+00 Ellipticity -0.1565064E+01 Gb(Abramov) 0.7250573E-02 Vb(Abramov) -0.5454738E-02 Hb(Abramov) 0.1795834E-02 Ex_ueg -0.1482224E-02 Ec_ueg -0.3446108E-03 Delta_ex -0.1710139E-02 Delta_ec 0.5368465E-03 Delta_et -0.3740536E-02 Pxc 0.4301156E+01 Qxc -0.3185526E+01 3,+1 57 3 +1 -1.697208 0.516096 -0.533613 Rho 0.9852065E-02 |GRAD(Rho)| 0.2157462E-14 GRAD(Rho)x 0.5985100E-16 GRAD(Rho)y 0.1961753E-14 GRAD(Rho)z 0.8958711E-15 Laplacian 0.3554957E-01 (-1/4)Del**2(Rho)) -0.8887393E-02 Diamond 0.1168372E-02 Metallicity 0.8776559E+00 Ellipticity -0.1655925E+01 Gb(Abramov) 0.7224941E-02 Vb(Abramov) -0.5562488E-02 Hb(Abramov) 0.1662452E-02 Ex_ueg -0.1559869E-02 Ec_ueg -0.3613435E-03 Delta_ex -0.1689972E-02 Delta_ec 0.5158140E-03 Delta_et -0.3638294E-02 Pxc 0.4316858E+01 Qxc -0.3276321E+01 3,+1 58 3 +3 -0.016517 2.381431 0.022031 Rho 0.3859986E-02 |GRAD(Rho)| 0.1814558E-11 GRAD(Rho)x -0.3250297E-12 GRAD(Rho)y 0.2480899E-12 GRAD(Rho)z -0.1767888E-11 Laplacian 0.1511256E-01 (-1/4)Del**2(Rho)) -0.3778141E-02 Diamond 0.1013406E-03 Metallicity 0.4330964E+00 Ellipticity -0.2240543E+00 Gb(Abramov) 0.2791477E-02 Vb(Abramov) -0.1804813E-02 Hb(Abramov) 0.9866638E-03 Ex_ueg -0.4471975E-03 Ec_ueg -0.9818814E-04 Delta_ex -0.5219545E-03 Delta_ec 0.1303330E-03 Delta_et -0.7973289E-03 Pxc 0.4554496E+01 Qxc -0.4004777E+01 3,+3 59 3 +1 -0.296880 -0.533075 -3.128613 Rho 0.2769635E-02 |GRAD(Rho)| 0.3331531E-17 GRAD(Rho)x 0.1958686E-17 GRAD(Rho)y -0.2685424E-17 GRAD(Rho)z -0.2261610E-18 Laplacian 0.9793687E-02 (-1/4)Del**2(Rho)) -0.2448422E-02 Diamond 0.8047050E-04 Metallicity 0.3843301E+00 Ellipticity -0.1417748E+01 Gb(Abramov) 0.1789115E-02 Vb(Abramov) -0.1129808E-02 Hb(Abramov) 0.6593069E-03 Ex_ueg -0.2872644E-03 Ec_ueg -0.5223114E-04 Delta_ex -0.3899842E-03 Delta_ec 0.2249454E-03 Delta_et -0.1056557E-02 Pxc 0.5499868E+01 Qxc -0.1733684E+01 3,+1 60 3 -1 -1.750717 0.552946 1.769843 Rho 0.4690412E-01 |GRAD(Rho)| 0.1199484E-13 GRAD(Rho)x 0.1566138E-14 GRAD(Rho)y -0.9008321E-14 GRAD(Rho)z 0.7763597E-14 Laplacian 0.1859505E+00 (-1/4)Del**2(Rho)) -0.4648763E-01 Diamond 0.8532462E-01 Metallicity 0.2260654E+01 Ellipticity 0.1930539E-01 Gb(Abramov) 0.4850716E-01 Vb(Abramov) -0.5052669E-01 Hb(Abramov) -0.2019528E-02 Ex_ueg -0.1249299E-01 Ec_ueg -0.2244473E-02 Delta_ex -0.1501092E-01 Delta_ec 0.5451562E-02 Delta_et -0.5650827E-01 Pxc 0.5566112E+01 Qxc -0.2753508E+01 3,-1 61 3 +1 0.409620 -1.767216 -0.668019 Rho 0.7338207E-02 |GRAD(Rho)| 0.2302709E-16 GRAD(Rho)x 0.7772725E-17 GRAD(Rho)y -0.2148211E-16 GRAD(Rho)z 0.2889741E-17 Laplacian 0.2795542E-01 (-1/4)Del**2(Rho)) -0.6988855E-02 Diamond 0.7408110E-03 Metallicity 0.6830678E+00 Ellipticity -0.1710141E+01 Gb(Abramov) 0.5454880E-02 Vb(Abramov) -0.3920905E-02 Hb(Abramov) 0.1533975E-02 Ex_ueg -0.1053186E-02 Ec_ueg -0.2488827E-03 Delta_ex -0.1304035E-02 Delta_ec 0.5305744E-03 Delta_et -0.3364397E-02 Pxc 0.4231655E+01 Qxc -0.2457780E+01 3,+1 62 3 -1 -2.953463 0.010994 0.086974 Rho 0.5974508E-02 |GRAD(Rho)| 0.8456772E-15 GRAD(Rho)x 0.2254846E-15 GRAD(Rho)y 0.5006016E-15 GRAD(Rho)z 0.6432144E-15 Laplacian 0.2298821E-01 (-1/4)Del**2(Rho)) -0.5747053E-02 Diamond 0.7715066E-03 Metallicity 0.5896735E+00 Ellipticity 0.1268137E+01 Gb(Abramov) 0.4396183E-02 Vb(Abramov) -0.3045313E-02 Hb(Abramov) 0.1350870E-02 Ex_ueg -0.8006720E-03 Ec_ueg -0.1890880E-03 Delta_ex -0.1249604E-02 Delta_ec 0.8420014E-03 Delta_et -0.4776865E-02 Pxc 0.4234389E+01 Qxc -0.1484088E+01 3,-1 63 3 -1 -3.410476 0.110106 -3.257367 Rho 0.1952101E+00 |GRAD(Rho)| 0.1795167E-15 GRAD(Rho)x 0.9269929E-17 GRAD(Rho)y -0.1151965E-15 GRAD(Rho)z 0.1373684E-15 Laplacian 0.7328557E+00 (-1/4)Del**2(Rho)) -0.1832139E+00 Diamond 0.2039571E+01 Metallicity 0.6176826E+01 Ellipticity 0.2375294E-01 Gb(Abramov) 0.3107560E+00 Vb(Abramov) -0.4382981E+00 Hb(Abramov) -0.1275421E+00 Ex_ueg -0.8363503E-01 Ec_ueg -0.1139812E-01 Delta_ex -0.8407275E-01 Delta_ec 0.1738864E-01 Delta_et -0.2386448E+00 Pxc 0.7337617E+01 Qxc -0.4834923E+01 3,-1 64 3 +1 -0.561094 -0.545252 1.676416 Rho 0.8596204E-02 |GRAD(Rho)| 0.1588789E-13 GRAD(Rho)x 0.1860620E-15 GRAD(Rho)y 0.1276881E-13 GRAD(Rho)z -0.9452406E-14 Laplacian 0.3367756E-01 (-1/4)Del**2(Rho)) -0.8419390E-02 Diamond 0.8819609E-03 Metallicity 0.7381031E+00 Ellipticity -0.1415609E+01 Gb(Abramov) 0.6648657E-02 Vb(Abramov) -0.4877923E-02 Hb(Abramov) 0.1770734E-02 Ex_ueg -0.1300551E-02 Ec_ueg -0.3048103E-03 Delta_ex -0.1529896E-02 Delta_ec 0.4588040E-03 Delta_et -0.3147814E-02 Pxc 0.4266755E+01 Qxc -0.3334531E+01 3,+1 65 3 -1 -3.093932 -0.955000 -2.083960 Rho 0.8346463E-01 |GRAD(Rho)| 0.1378580E-15 GRAD(Rho)x 0.4580754E-16 GRAD(Rho)y -0.1114153E-15 GRAD(Rho)z 0.6703080E-16 Laplacian 0.3515116E+00 (-1/4)Del**2(Rho)) -0.8787789E-01 Diamond 0.3684825E+00 Metallicity 0.3124959E+01 Ellipticity 0.7074136E-02 Gb(Abramov) 0.1043544E+00 Vb(Abramov) -0.1208309E+00 Hb(Abramov) -0.1647651E-01 Ex_ueg -0.2693943E-01 Ec_ueg -0.4334811E-02 Delta_ex -0.3323253E-01 Delta_ec 0.1085344E-01 Delta_et -0.1304078E+00 Pxc 0.6214671E+01 Qxc -0.3061935E+01 3,-1 66 3 -1 -2.015604 0.853898 3.097087 Rho 0.1581694E+00 |GRAD(Rho)| 0.1936935E-15 GRAD(Rho)x 0.1451882E-15 GRAD(Rho)y -0.2005774E-17 GRAD(Rho)z -0.1281934E-15 Laplacian 0.6124498E+00 (-1/4)Del**2(Rho)) -0.1531124E+00 Diamond 0.1321027E+01 Metallicity 0.5204910E+01 Ellipticity 0.3515148E-01 Gb(Abramov) 0.2348977E+00 Vb(Abramov) -0.3166830E+00 Hb(Abramov) -0.8178527E-01 Ex_ueg -0.6317542E-01 Ec_ueg -0.8968504E-02 Delta_ex -0.6662138E-01 Delta_ec 0.1530573E-01 Delta_et -0.2051366E+00 Pxc 0.7044143E+01 Qxc -0.4352709E+01 3,-1 67 3 +1 -2.934405 -0.303761 -0.251660 Rho 0.5663666E-02 |GRAD(Rho)| 0.1439146E-13 GRAD(Rho)x -0.1200655E-13 GRAD(Rho)y 0.5959683E-14 GRAD(Rho)z 0.5238229E-14 Laplacian 0.2271572E-01 (-1/4)Del**2(Rho)) -0.5678931E-02 Diamond 0.4622752E-03 Metallicity 0.5459036E+00 Ellipticity -0.1537151E+01 Gb(Abramov) 0.4302645E-02 Vb(Abramov) -0.2926360E-02 Hb(Abramov) 0.1376285E-02 Ex_ueg -0.7456160E-03 Ec_ueg -0.1755839E-03 Delta_ex -0.1028087E-02 Delta_ec 0.4848685E-03 Delta_et -0.2825234E-02 Pxc 0.4246494E+01 Qxc -0.2120343E+01 3,+1 68 3 +1 -2.946084 0.206688 0.289501 Rho 0.5887656E-02 |GRAD(Rho)| 0.7118729E-14 GRAD(Rho)x -0.7081449E-15 GRAD(Rho)y 0.4684900E-14 GRAD(Rho)z 0.5312866E-14 Laplacian 0.2361530E-01 (-1/4)Del**2(Rho)) -0.5903826E-02 Diamond 0.5818180E-03 Metallicity 0.5601749E+00 Ellipticity -0.2114411E+01 Gb(Abramov) 0.4487080E-02 Vb(Abramov) -0.3070334E-02 Hb(Abramov) 0.1416746E-02 Ex_ueg -0.7851903E-03 Ec_ueg -0.1853100E-03 Delta_ex -0.1134343E-02 Delta_ec 0.6046027E-03 Delta_et -0.3503377E-02 Pxc 0.4237172E+01 Qxc -0.1876179E+01 3,+1 69 3 -1 -3.046358 0.866291 2.088386 Rho 0.1750801E+00 |GRAD(Rho)| 0.2069915E-13 GRAD(Rho)x 0.8969171E-14 GRAD(Rho)y -0.1378468E-13 GRAD(Rho)z 0.1256945E-13 Laplacian 0.6821905E+00 (-1/4)Del**2(Rho)) -0.1705476E+00 Diamond 0.1653167E+01 Metallicity 0.5534801E+01 Ellipticity 0.5524076E-01 Gb(Abramov) 0.2710230E+00 Vb(Abramov) -0.3714983E+00 Hb(Abramov) -0.1004753E+00 Ex_ueg -0.7233814E-01 Ec_ueg -0.1006789E-01 Delta_ex -0.7603601E-01 Delta_ec 0.1647667E-01 Delta_et -0.2231515E+00 Pxc 0.7185034E+01 Qxc -0.4614768E+01 3,-1 70 3 -1 -1.818772 -0.595707 -1.849305 Rho 0.3714901E-01 |GRAD(Rho)| 0.1371455E-16 GRAD(Rho)x 0.4355867E-17 GRAD(Rho)y -0.1150165E-16 GRAD(Rho)z 0.6068568E-17 Laplacian 0.1568071E+00 (-1/4)Del**2(Rho)) -0.3920178E-01 Diamond 0.5899313E-01 Metallicity 0.1817577E+01 Ellipticity 0.2005169E-01 Gb(Abramov) 0.3800990E-01 Vb(Abramov) -0.3681802E-01 Hb(Abramov) 0.1191884E-02 Ex_ueg -0.9154784E-02 Ec_ueg -0.1717925E-02 Delta_ex -0.1236567E-01 Delta_ec 0.5358447E-02 Delta_et -0.5224324E-01 Pxc 0.5328979E+01 Qxc -0.2307696E+01 3,-1 71 3 -1 -2.822514 1.788384 -0.567319 Rho 0.1653985E+00 |GRAD(Rho)| 0.8361042E-15 GRAD(Rho)x 0.9913674E-16 GRAD(Rho)y 0.7907086E-15 GRAD(Rho)z 0.2530257E-15 Laplacian 0.6817897E+00 (-1/4)Del**2(Rho)) -0.1704474E+00 Diamond 0.1554910E+01 Metallicity 0.5037115E+01 Ellipticity 0.1249841E-01 Gb(Abramov) 0.2567255E+00 Vb(Abramov) -0.3430036E+00 Hb(Abramov) -0.8627808E-01 Ex_ueg -0.6705436E-01 Ec_ueg -0.9436417E-02 Delta_ex -0.7502009E-01 Delta_ec 0.1689647E-01 Delta_et -0.2278614E+00 Pxc 0.7105913E+01 Qxc -0.4439985E+01 3,-1 72 3 -1 -3.111004 -2.046001 -0.850599 Rho 0.1807461E+00 |GRAD(Rho)| 0.1292853E-13 GRAD(Rho)x 0.1112069E-13 GRAD(Rho)y 0.6269101E-14 GRAD(Rho)z -0.2043423E-14 Laplacian 0.7060909E+00 (-1/4)Del**2(Rho)) -0.1765227E+00 Diamond 0.1776725E+01 Metallicity 0.5638980E+01 Ellipticity 0.7440948E-01 Gb(Abramov) 0.2835832E+00 Vb(Abramov) -0.3906436E+00 Hb(Abramov) -0.1070605E+00 Ex_ueg -0.7547622E-01 Ec_ueg -0.1043997E-01 Delta_ex -0.7932513E-01 Delta_ec 0.1689642E-01 Delta_et -0.2295537E+00 Pxc 0.7229543E+01 Qxc -0.4694788E+01 3,-1 73 3 +1 -1.758582 -1.736339 1.803091 Rho 0.1247770E-01 |GRAD(Rho)| 0.1457345E-14 GRAD(Rho)x -0.3129429E-15 GRAD(Rho)y -0.8679916E-15 GRAD(Rho)z -0.1128057E-14 Laplacian 0.6228738E-01 (-1/4)Del**2(Rho)) -0.1557185E-01 Diamond 0.2590488E-02 Metallicity 0.7426265E+00 Ellipticity -0.1258935E+01 Gb(Abramov) 0.1230857E-01 Vb(Abramov) -0.9045303E-02 Hb(Abramov) 0.3263271E-02 Ex_ueg -0.2137458E-02 Ec_ueg -0.4816658E-03 Delta_ex -0.3081730E-02 Delta_ec 0.7875880E-03 Delta_et -0.5977865E-02 Pxc 0.4437637E+01 Qxc -0.3912870E+01 3,+1 74 3 -1 -2.817649 -1.788555 0.591406 Rho 0.1465248E+00 |GRAD(Rho)| 0.3543457E-15 GRAD(Rho)x 0.7131340E-16 GRAD(Rho)y 0.3234717E-15 GRAD(Rho)z 0.1258623E-15 Laplacian 0.6118063E+00 (-1/4)Del**2(Rho)) -0.1529516E+00 Diamond 0.1204212E+01 Metallicity 0.4586884E+01 Ellipticity 0.1652375E-01 Gb(Abramov) 0.2188962E+00 Vb(Abramov) -0.2848409E+00 Hb(Abramov) -0.6594466E-01 Ex_ueg -0.5705143E-01 Ec_ueg -0.8221423E-02 Delta_ex -0.6531306E-01 Delta_ec 0.1559138E-01 Delta_et -0.2068179E+00 Pxc 0.6939362E+01 Qxc -0.4189048E+01 3,-1 75 3 -1 -3.047383 1.986360 0.887793 Rho 0.8621149E-01 |GRAD(Rho)| 0.1071901E-12 GRAD(Rho)x -0.4335285E-13 GRAD(Rho)y -0.5463739E-13 GRAD(Rho)z 0.8139408E-13 Laplacian 0.3598797E+00 (-1/4)Del**2(Rho)) -0.8996991E-01 Diamond 0.3894358E+00 Metallicity 0.3221547E+01 Ellipticity 0.2998577E-02 Gb(Abramov) 0.1082870E+00 Vb(Abramov) -0.1266041E+00 Hb(Abramov) -0.1831708E-01 Ex_ueg -0.2812798E-01 Ec_ueg -0.4497662E-02 Delta_ex -0.3421074E-01 Delta_ec 0.1093066E-01 Delta_et -0.1322028E+00 Pxc 0.6253912E+01 Qxc -0.3129797E+01 3,-1 76 3 -1 -3.300970 3.207954 -0.096973 Rho 0.2009074E+00 |GRAD(Rho)| 0.3853529E-15 GRAD(Rho)x -0.1720087E-15 GRAD(Rho)y -0.3375663E-15 GRAD(Rho)z -0.7041893E-16 Laplacian 0.7583570E+00 (-1/4)Del**2(Rho)) -0.1895893E+00 Diamond 0.2168866E+01 Metallicity 0.6262282E+01 Ellipticity 0.7805557E-02 Gb(Abramov) 0.3242697E+00 Vb(Abramov) -0.4589502E+00 Hb(Abramov) -0.1346805E+00 Ex_ueg -0.8690530E-01 Ec_ueg -0.1177876E-01 Delta_ex -0.8753064E-01 Delta_ec 0.1766185E-01 Delta_et -0.2423291E+00 Pxc 0.7378136E+01 Qxc -0.4955917E+01 3,-1 77 3 +1 -2.288225 -1.030904 -1.561752 Rho 0.2373132E-01 |GRAD(Rho)| 0.2191846E-16 GRAD(Rho)x -0.6100239E-17 GRAD(Rho)y -0.1636893E-16 GRAD(Rho)z 0.1323874E-16 Laplacian 0.9303304E-01 (-1/4)Del**2(Rho)) -0.2325826E-01 Diamond 0.8776484E-02 Metallicity 0.1451595E+01 Ellipticity -0.1803711E+01 Gb(Abramov) 0.2113244E-01 Vb(Abramov) -0.1900662E-01 Hb(Abramov) 0.2125822E-02 Ex_ueg -0.5036716E-02 Ec_ueg -0.1025052E-02 Delta_ex -0.5409550E-02 Delta_ec 0.1048778E-02 Delta_et -0.9281946E-02 Pxc 0.4913618E+01 Qxc -0.5157955E+01 3,+1 78 3 +3 -2.344699 -0.015588 0.051240 Rho 0.5080332E-02 |GRAD(Rho)| 0.5157467E-17 GRAD(Rho)x 0.4506448E-17 GRAD(Rho)y 0.6956257E-18 GRAD(Rho)z 0.2409875E-17 Laplacian 0.2046407E-01 (-1/4)Del**2(Rho)) -0.5116017E-02 Diamond 0.2009056E-03 Metallicity 0.5055623E+00 Ellipticity -0.4150639E+00 Gb(Abramov) 0.3841755E-02 Vb(Abramov) -0.2567494E-02 Hb(Abramov) 0.1274261E-02 Ex_ueg -0.6450220E-03 Ec_ueg -0.1503715E-03 Delta_ex -0.7600110E-03 Delta_ec 0.1791569E-03 Delta_et -0.1165401E-02 Pxc 0.4289524E+01 Qxc -0.4242154E+01 3,+3 79 3 +1 0.068249 -2.983928 0.075189 Rho 0.5089782E-02 |GRAD(Rho)| 0.1371955E-16 GRAD(Rho)x -0.8348319E-17 GRAD(Rho)y 0.1422419E-17 GRAD(Rho)z 0.1079390E-16 Laplacian 0.2018961E-01 (-1/4)Del**2(Rho)) -0.5047403E-02 Diamond 0.4718392E-03 Metallicity 0.5140245E+00 Ellipticity -0.3167690E+01 Gb(Abramov) 0.3797350E-02 Vb(Abramov) -0.2547297E-02 Hb(Abramov) 0.1250053E-02 Ex_ueg -0.6466221E-03 Ec_ueg -0.1507785E-03 Delta_ex -0.9978478E-03 Delta_ec 0.6189430E-03 Delta_et -0.3386174E-02 Pxc 0.4288556E+01 Qxc -0.1612180E+01 3,+1 80 3 -1 -2.275230 -0.891145 -3.342497 Rho 0.1935240E+00 |GRAD(Rho)| 0.4324486E-15 GRAD(Rho)x -0.2572541E-15 GRAD(Rho)y 0.2944151E-15 GRAD(Rho)z 0.1848023E-15 Laplacian 0.7669048E+00 (-1/4)Del**2(Rho)) -0.1917262E+00 Diamond 0.2081583E+01 Metallicity 0.5817859E+01 Ellipticity 0.1647981E-01 Gb(Abramov) 0.3137234E+00 Vb(Abramov) -0.4357207E+00 Hb(Abramov) -0.1219972E+00 Ex_ueg -0.8267322E-01 Ec_ueg -0.1128582E-01 Delta_ex -0.8756799E-01 Delta_ec 0.1785152E-01 Delta_et -0.2435318E+00 Pxc 0.7325410E+01 Qxc -0.4905351E+01 3,-1 81 3 -1 -2.782582 -0.538476 1.861437 Rho 0.1285568E+00 |GRAD(Rho)| 0.8744518E-12 GRAD(Rho)x 0.1576816E-12 GRAD(Rho)y 0.5848690E-12 GRAD(Rho)z 0.6306589E-12 Laplacian 0.5412923E+00 (-1/4)Del**2(Rho)) -0.1353231E+00 Diamond 0.9137747E+00 Metallicity 0.4168755E+01 Ellipticity 0.7993809E-02 Gb(Abramov) 0.1842369E+00 Vb(Abramov) -0.2331506E+00 Hb(Abramov) -0.4891377E-01 Ex_ueg -0.4791945E-01 Ec_ueg -0.7085323E-02 Delta_ex -0.5601804E-01 Delta_ec 0.1431130E-01 Delta_et -0.1861976E+00 Pxc 0.6763199E+01 Qxc -0.3914251E+01 3,-1 82 3 +1 -0.208347 0.212783 2.990745 Rho 0.5694092E-02 |GRAD(Rho)| 0.1100277E-13 GRAD(Rho)x -0.1037823E-13 GRAD(Rho)y 0.1574568E-14 GRAD(Rho)z 0.3297587E-14 Laplacian 0.2310350E-01 (-1/4)Del**2(Rho)) -0.5775874E-02 Diamond 0.5389523E-03 Metallicity 0.5415555E+00 Ellipticity -0.1923882E+01 Gb(Abramov) 0.4371909E-02 Vb(Abramov) -0.2967943E-02 Hb(Abramov) 0.1403965E-02 Ex_ueg -0.7509616E-03 Ec_ueg -0.1769036E-03 Delta_ex -0.1097922E-02 Delta_ec 0.5842791E-03 Delta_et -0.3356227E-02 Pxc 0.4245032E+01 Qxc -0.1879105E+01 3,+1 83 3 -1 -1.810118 -0.535015 2.828712 Rho 0.1224246E+00 |GRAD(Rho)| 0.4312817E-14 GRAD(Rho)x -0.3424100E-14 GRAD(Rho)y 0.2388362E-14 GRAD(Rho)z 0.1082430E-14 Laplacian 0.5114470E+00 (-1/4)Del**2(Rho)) -0.1278618E+00 Diamond 0.8110104E+00 Metallicity 0.4066868E+01 Ellipticity 0.6429599E-02 Gb(Abramov) 0.1719073E+00 Vb(Abramov) -0.2159529E+00 Hb(Abramov) -0.4404556E-01 Ex_ueg -0.4489622E-01 Ec_ueg -0.6702436E-02 Delta_ex -0.5227204E-01 Delta_ec 0.1360636E-01 Delta_et -0.1754514E+00 Pxc 0.6698492E+01 Qxc -0.3841735E+01 3,-1 84 3 -1 -1.878645 0.538326 -2.970939 Rho 0.1135768E+00 |GRAD(Rho)| 0.6218947E-14 GRAD(Rho)x -0.5667477E-14 GRAD(Rho)y 0.5895078E-15 GRAD(Rho)z -0.2491483E-14 Laplacian 0.4804667E+00 (-1/4)Del**2(Rho)) -0.1201167E+00 Diamond 0.7236336E+00 Metallicity 0.3820318E+01 Ellipticity 0.1898289E-01 Gb(Abramov) 0.1565584E+00 Vb(Abramov) -0.1930002E+00 Hb(Abramov) -0.3644176E-01 Ex_ueg -0.4062295E-01 Ec_ueg -0.6154586E-02 Delta_ex -0.4863338E-01 Delta_ec 0.1371519E-01 Delta_et -0.1755997E+00 Pxc 0.6600436E+01 Qxc -0.3545949E+01 3,-1 85 3 +3 -1.120099 1.140444 -1.223521 Rho 0.5018482E-02 |GRAD(Rho)| 0.6375149E-17 GRAD(Rho)x -0.2871213E-17 GRAD(Rho)y -0.4961270E-17 GRAD(Rho)z -0.2790065E-17 Laplacian 0.1736149E-01 (-1/4)Del**2(Rho)) -0.4340372E-02 Diamond 0.1132964E-03 Metallicity 0.5838664E+00 Ellipticity -0.4650950E+00 Gb(Abramov) 0.3315948E-02 Vb(Abramov) -0.2291523E-02 Hb(Abramov) 0.1024424E-02 Ex_ueg -0.6345730E-03 Ec_ueg -0.1477082E-03 Delta_ex -0.5925336E-03 Delta_ec 0.6235893E-04 Delta_et -0.5347765E-03 Pxc 0.4296124E+01 Qxc -0.9501985E+01 3,+3 86 3 +1 -0.389350 -1.146975 -2.795551 Rho 0.3021240E-02 |GRAD(Rho)| 0.1816322E-17 GRAD(Rho)x -0.1535121E-17 GRAD(Rho)y -0.2188888E-19 GRAD(Rho)z 0.9705417E-18 Laplacian 0.1099841E-01 (-1/4)Del**2(Rho)) -0.2749602E-02 Diamond 0.9136880E-04 Metallicity 0.3956023E+00 Ellipticity -0.1354403E+01 Gb(Abramov) 0.2014360E-02 Vb(Abramov) -0.1279117E-02 Hb(Abramov) 0.7352426E-03 Ex_ueg -0.3225760E-03 Ec_ueg -0.6277857E-04 Delta_ex -0.4270360E-03 Delta_ec 0.2195545E-03 Delta_et -0.1076765E-02 Pxc 0.5138315E+01 Qxc -0.1945012E+01 3,+1 87 3 +1 -1.782628 1.775750 -1.814416 Rho 0.1050083E-01 |GRAD(Rho)| 0.1460083E-13 GRAD(Rho)x 0.1088910E-13 GRAD(Rho)y 0.7603371E-14 GRAD(Rho)z -0.6066337E-14 Laplacian 0.4451062E-01 (-1/4)Del**2(Rho)) -0.1112765E-01 Diamond 0.1366523E-02 Metallicity 0.7795714E+00 Ellipticity -0.1297631E+01 Gb(Abramov) 0.8864236E-02 Vb(Abramov) -0.6600818E-02 Hb(Abramov) 0.2263418E-02 Ex_ueg -0.1698309E-02 Ec_ueg -0.3908122E-03 Delta_ex -0.2071519E-02 Delta_ec 0.5043858E-03 Delta_et -0.3719943E-02 Pxc 0.4345589E+01 Qxc -0.4107013E+01 3,+1 88 3 -1 -2.062740 -3.120275 -0.713773 Rho 0.1409279E+00 |GRAD(Rho)| 0.6631148E-13 GRAD(Rho)x 0.5486136E-13 GRAD(Rho)y 0.1988912E-13 GRAD(Rho)z -0.3149392E-13 Laplacian 0.5154711E+00 (-1/4)Del**2(Rho)) -0.1288678E+00 Diamond 0.9961549E+00 Metallicity 0.5101963E+01 Ellipticity 0.1157564E+00 Gb(Abramov) 0.1954916E+00 Vb(Abramov) -0.2621155E+00 Hb(Abramov) -0.6662385E-01 Ex_ueg -0.5416447E-01 Ec_ueg -0.7865324E-02 Delta_ex -0.5480973E-01 Delta_ec 0.1380240E-01 Delta_et -0.1831867E+00 Pxc 0.6886489E+01 Qxc -0.3971027E+01 3,-1 89 3 -1 -1.860181 -2.750554 0.583737 Rho 0.1092464E+00 |GRAD(Rho)| 0.2435405E-13 GRAD(Rho)x 0.2158842E-13 GRAD(Rho)y 0.1113527E-13 GRAD(Rho)z 0.1750878E-14 Laplacian 0.4524267E+00 (-1/4)Del**2(Rho)) -0.1131067E+00 Diamond 0.6277816E+00 Metallicity 0.3802568E+01 Ellipticity 0.1520024E-01 Gb(Abramov) 0.1470871E+00 Vb(Abramov) -0.1810675E+00 Hb(Abramov) -0.3398040E-01 Ex_ueg -0.3857104E-01 Ec_ueg -0.5888492E-02 Delta_ex -0.4504026E-01 Delta_ec 0.1241756E-01 Delta_et -0.1569747E+00 Pxc 0.6550240E+01 Qxc -0.3627143E+01 3,-1 90 3 +1 -0.618090 -1.667385 0.527501 Rho 0.9355106E-02 |GRAD(Rho)| 0.2165112E-16 GRAD(Rho)x 0.1041192E-16 GRAD(Rho)y 0.1606170E-16 GRAD(Rho)z -0.1011854E-16 Laplacian 0.3579025E-01 (-1/4)Del**2(Rho)) -0.8947563E-02 Diamond 0.1073152E-02 Metallicity 0.7997046E+00 Ellipticity -0.1504570E+01 Gb(Abramov) 0.7157610E-02 Vb(Abramov) -0.5367657E-02 Hb(Abramov) 0.1789953E-02 Ex_ueg -0.1455850E-02 Ec_ueg -0.3388910E-03 Delta_ex -0.1669930E-02 Delta_ec 0.5028200E-03 Delta_et -0.3512356E-02 Pxc 0.4295925E+01 Qxc -0.3321129E+01 3,+1 91 3 +1 -0.617787 1.705318 -0.563791 Rho 0.7525462E-02 |GRAD(Rho)| 0.6728848E-11 GRAD(Rho)x 0.5899956E-11 GRAD(Rho)y -0.2611292E-11 GRAD(Rho)z -0.1910252E-11 Laplacian 0.2703170E-01 (-1/4)Del**2(Rho)) -0.6757925E-02 Diamond 0.5644416E-03 Metallicity 0.7367075E+00 Ellipticity -0.1407328E+01 Gb(Abramov) 0.5335052E-02 Vb(Abramov) -0.3912179E-02 Hb(Abramov) 0.1422873E-02 Ex_ueg -0.1089171E-02 Ec_ueg -0.2571619E-03 Delta_ex -0.1173272E-02 Delta_ec 0.3431346E-03 Delta_et -0.2297245E-02 Pxc 0.4235351E+01 Qxc -0.3419276E+01 3,+1 92 3 -1 -1.756299 1.729304 0.507656 Rho 0.4060828E-01 |GRAD(Rho)| 0.3842438E-12 GRAD(Rho)x 0.2535630E-12 GRAD(Rho)y -0.2506507E-12 GRAD(Rho)z 0.1432596E-12 Laplacian 0.1719058E+00 (-1/4)Del**2(Rho)) -0.4297644E-01 Diamond 0.7052513E-01 Metallicity 0.1923153E+01 Ellipticity 0.4235395E-01 Gb(Abramov) 0.4242600E-01 Vb(Abramov) -0.4187557E-01 Hb(Abramov) 0.5504360E-03 Ex_ueg -0.1030872E-01 Ec_ueg -0.1902722E-02 Delta_ex -0.1370908E-01 Delta_ec 0.5622291E-02 Delta_et -0.5616506E-01 Pxc 0.5417877E+01 Qxc -0.2438344E+01 3,-1 93 3 +1 -1.450671 2.194591 1.059047 Rho 0.2491518E-01 |GRAD(Rho)| 0.4614156E-16 GRAD(Rho)x -0.3273775E-16 GRAD(Rho)y 0.1613255E-16 GRAD(Rho)z -0.2823160E-16 Laplacian 0.9115384E-01 (-1/4)Del**2(Rho)) -0.2278846E-01 Diamond 0.1059627E-01 Metallicity 0.1606737E+01 Ellipticity -0.2805589E+01 Gb(Abramov) 0.2129482E-01 Vb(Abramov) -0.1980117E-01 Hb(Abramov) 0.1493643E-02 Ex_ueg -0.5374487E-02 Ec_ueg -0.1084444E-02 Delta_ex -0.5525577E-02 Delta_ec 0.1299435E-02 Delta_et -0.1151879E-01 Pxc 0.4955982E+01 Qxc -0.4252292E+01 3,+1 94 3 -1 -1.836570 2.871003 -0.622614 Rho 0.1228510E+00 |GRAD(Rho)| 0.1300944E-15 GRAD(Rho)x 0.7624652E-16 GRAD(Rho)y -0.5145895E-16 GRAD(Rho)z -0.9199455E-16 Laplacian 0.5153695E+00 (-1/4)Del**2(Rho)) -0.1288424E+00 Diamond 0.8462928E+00 Metallicity 0.4059371E+01 Ellipticity 0.2094396E-01 Gb(Abramov) 0.1730648E+00 Vb(Abramov) -0.2172871E+00 Hb(Abramov) -0.4422237E-01 Ex_ueg -0.4510484E-01 Ec_ueg -0.6728978E-02 Delta_ex -0.5305008E-01 Delta_ec 0.1429459E-01 Delta_et -0.1854534E+00 Pxc 0.6703075E+01 Qxc -0.3711199E+01 3,-1 95 3 -1 2.997958 -0.028666 0.040155 Rho 0.5823460E-02 |GRAD(Rho)| 0.5393796E-13 GRAD(Rho)x -0.1645259E-13 GRAD(Rho)y -0.5103854E-13 GRAD(Rho)z 0.5803689E-14 Laplacian 0.2335569E-01 (-1/4)Del**2(Rho)) -0.5838923E-02 Diamond 0.7732941E-03 Metallicity 0.5561462E+00 Ellipticity 0.2691075E+01 Gb(Abramov) 0.4433831E-02 Vb(Abramov) -0.3028739E-02 Hb(Abramov) 0.1405092E-02 Ex_ueg -0.7737961E-03 Ec_ueg -0.1825200E-03 Delta_ex -0.1275614E-02 Delta_ec 0.8770790E-03 Delta_et -0.4929947E-02 Pxc 0.4239515E+01 Qxc -0.1454389E+01 3,-1 96 3 -1 -1.827716 -1.735551 -0.544305 Rho 0.5455538E-01 |GRAD(Rho)| 0.4874862E-16 GRAD(Rho)x -0.2778353E-16 GRAD(Rho)y 0.1089115E-16 GRAD(Rho)z 0.3854720E-16 Laplacian 0.2153345E+00 (-1/4)Del**2(Rho)) -0.5383361E-01 Diamond 0.1227414E+00 Metallicity 0.2511283E+01 Ellipticity 0.2407204E-01 Gb(Abramov) 0.5842098E-01 Vb(Abramov) -0.6300835E-01 Hb(Abramov) -0.4587370E-02 Ex_ueg -0.1528159E-01 Ec_ueg -0.2668184E-02 Delta_ex -0.1811347E-01 Delta_ec 0.6401267E-02 Delta_et -0.6903951E-01 Pxc 0.5727338E+01 Qxc -0.2829670E+01 3,-1 97 3 +3 -1.141665 -1.102588 1.172908 Rho 0.5444456E-02 |GRAD(Rho)| 0.2518985E-14 GRAD(Rho)x -0.1517890E-14 GRAD(Rho)y -0.1274237E-14 GRAD(Rho)z 0.1554869E-14 Laplacian 0.2134118E-01 (-1/4)Del**2(Rho)) -0.5335295E-02 Diamond 0.1647779E-03 Metallicity 0.5440668E+00 Ellipticity -0.1818020E+00 Gb(Abramov) 0.4040656E-02 Vb(Abramov) -0.2746017E-02 Hb(Abramov) 0.1294639E-02 Ex_ueg -0.7073880E-03 Ec_ueg -0.1660894E-03 Delta_ex -0.7527655E-03 Delta_ec 0.8999536E-04 Delta_et -0.7342828E-03 Pxc 0.4259080E+01 Qxc -0.8364493E+01 3,+3 98 3 -1 0.090934 -2.037940 -1.055140 Rho 0.8278247E-02 |GRAD(Rho)| 0.2568522E-15 GRAD(Rho)x -0.8914645E-16 GRAD(Rho)y -0.1192858E-15 GRAD(Rho)z 0.2092770E-15 Laplacian 0.3160531E-01 (-1/4)Del**2(Rho)) -0.7901328E-02 Diamond 0.1642725E-02 Metallicity 0.7386132E+00 Ellipticity 0.5962468E+00 Gb(Abramov) 0.6240223E-02 Vb(Abramov) -0.4579118E-02 Hb(Abramov) 0.1661105E-02 Ex_ueg -0.1236810E-02 Ec_ueg -0.2906071E-03 Delta_ex -0.1828116E-02 Delta_ec 0.1155526E-02 Delta_et -0.7236742E-02 Pxc 0.4255952E+01 Qxc -0.1582065E+01 3,-1 99 3 -1 0.003084 -3.296583 -1.217576 Rho 0.2927626E-01 |GRAD(Rho)| 0.6579948E-16 GRAD(Rho)x 0.6513632E-16 GRAD(Rho)y 0.6802168E-17 GRAD(Rho)z -0.6368806E-17 Laplacian 0.9282139E-01 (-1/4)Del**2(Rho)) -0.2320535E-01 Diamond 0.3501223E-01 Metallicity 0.2064546E+01 Ellipticity 0.6448257E-02 Gb(Abramov) 0.2345498E-01 Vb(Abramov) -0.2370462E-01 Hb(Abramov) -0.2496341E-03 Ex_ueg -0.6664065E-02 Ec_ueg -0.1306337E-02 Delta_ex -0.7775867E-02 Delta_ec 0.4704792E-02 Delta_et -0.4279802E-01 Pxc 0.5101338E+01 Qxc -0.1652754E+01 3,-1 100 3 -1 -0.844268 -3.460649 -1.257541 Rho 0.3185391E+00 |GRAD(Rho)| 0.6926199E-15 GRAD(Rho)x 0.4229405E-15 GRAD(Rho)y 0.5480360E-15 GRAD(Rho)z 0.2236549E-16 Laplacian -0.1642470E+01 (-1/4)Del**2(Rho)) 0.4106174E+00 Diamond 0.5643410E+01 Metallicity -0.6233333E+01 Ellipticity 0.4187920E-02 Gb(Abramov) 0.1528409E+00 Vb(Abramov) -0.7162992E+00 Hb(Abramov) -0.5634583E+00 Ex_ueg -0.1606702E+00 Ec_ueg -0.2003762E-01 Delta_ex 0.1635065E+00 Delta_ec 0.5687890E-01 Delta_et -0.1349185E+01 Pxc 0.8018426E+01 Qxc 0.2874643E+01 3,-1 101 3 +1 -1.092882 1.381166 2.240635 Rho 0.2467369E-01 |GRAD(Rho)| 0.9093442E-14 GRAD(Rho)x 0.9838216E-15 GRAD(Rho)y -0.8583191E-14 GRAD(Rho)z 0.2837535E-14 Laplacian 0.9281409E-01 (-1/4)Del**2(Rho)) -0.2320352E-01 Diamond 0.1061032E-01 Metallicity 0.1552587E+01 Ellipticity -0.2586824E+01 Gb(Abramov) 0.2147326E-01 Vb(Abramov) -0.1974301E-01 Hb(Abramov) 0.1730259E-02 Ex_ueg -0.5305143E-02 Ec_ueg -0.1072299E-02 Delta_ex -0.5607404E-02 Delta_ec 0.1316249E-02 Delta_et -0.1164385E-01 Pxc 0.4947449E+01 Qxc -0.4260139E+01 3,+1 102 3 -1 -0.888236 1.988491 3.084307 Rho 0.1103128E+00 |GRAD(Rho)| 0.1864914E-13 GRAD(Rho)x -0.3955752E-14 GRAD(Rho)y 0.1301368E-13 GRAD(Rho)z -0.1275879E-13 Laplacian 0.4549482E+00 (-1/4)Del**2(Rho)) -0.1137370E+00 Diamond 0.6589313E+00 Metallicity 0.3843211E+01 Ellipticity 0.1193121E-01 Gb(Abramov) 0.1486773E+00 Vb(Abramov) -0.1836175E+00 Hb(Abramov) -0.3494023E-01 Ex_ueg -0.3907384E-01 Ec_ueg -0.5953889E-02 Delta_ex -0.4569850E-01 Delta_ec 0.1300112E-01 Delta_et -0.1654275E+00 Pxc 0.6562743E+01 Qxc -0.3514967E+01 3,-1 103 3 +3 -0.068731 -2.385356 -0.104187 Rho 0.4277947E-02 |GRAD(Rho)| 0.3420626E-17 GRAD(Rho)x 0.2637563E-17 GRAD(Rho)y -0.1601889E-17 GRAD(Rho)z 0.1475769E-17 Laplacian 0.1720274E-01 (-1/4)Del**2(Rho)) -0.4300684E-02 Diamond 0.1323062E-03 Metallicity 0.4515868E+00 Ellipticity -0.3586860E+00 Gb(Abramov) 0.3190812E-02 Vb(Abramov) -0.2080939E-02 Hb(Abramov) 0.1109873E-02 Ex_ueg -0.5128994E-03 Ec_ueg -0.1159735E-03 Delta_ex -0.6095870E-03 Delta_ec 0.1477310E-03 Delta_et -0.9270805E-03 Pxc 0.4422558E+01 Qxc -0.4126331E+01 3,+3 104 3 +1 2.135099 -1.336602 1.131944 Rho 0.2745759E-01 |GRAD(Rho)| 0.2772692E-16 GRAD(Rho)x -0.2396136E-16 GRAD(Rho)y -0.2624418E-17 GRAD(Rho)z -0.1370210E-16 Laplacian 0.1105619E+00 (-1/4)Del**2(Rho)) -0.2764049E-01 Diamond 0.1754920E-01 Metallicity 0.1557560E+01 Ellipticity -0.6186511E+01 Gb(Abramov) 0.2560228E-01 Vb(Abramov) -0.2356407E-01 Hb(Abramov) 0.2038208E-02 Ex_ueg -0.6117889E-02 Ec_ueg -0.1213229E-02 Delta_ex -0.7156294E-02 Delta_ec 0.2063652E-02 Delta_et -0.1860513E-01 Pxc 0.5042652E+01 Qxc -0.3467781E+01 3,+1 105 3 -1 -0.278688 -1.309717 -3.426471 Rho 0.3676205E-02 |GRAD(Rho)| 0.2407390E-17 GRAD(Rho)x -0.1708994E-17 GRAD(Rho)y -0.7285838E-18 GRAD(Rho)z -0.1531023E-17 Laplacian 0.1247732E-01 (-1/4)Del**2(Rho)) -0.3119330E-02 Diamond 0.2760352E-03 Metallicity 0.4836058E+00 Ellipticity 0.1839064E+00 Gb(Abramov) 0.2330974E-02 Vb(Abramov) -0.1542618E-02 Hb(Abramov) 0.7883555E-03 Ex_ueg -0.4190361E-03 Ec_ueg -0.9039704E-04 Delta_ex -0.7023044E-03 Delta_ec 0.6015595E-03 Delta_et -0.2891586E-02 Pxc 0.4635507E+01 Qxc -0.1167473E+01 3,-1 106 3 -1 1.707330 -0.555000 1.708400 Rho 0.4195721E-01 |GRAD(Rho)| 0.4183914E-16 GRAD(Rho)x 0.1552442E-16 GRAD(Rho)y -0.2414700E-16 GRAD(Rho)z -0.3043728E-16 Laplacian 0.1653433E+00 (-1/4)Del**2(Rho)) -0.4133583E-01 Diamond 0.6476097E-01 Metallicity 0.2111402E+01 Ellipticity 0.3438135E-01 Gb(Abramov) 0.4210331E-01 Vb(Abramov) -0.4287079E-01 Hb(Abramov) -0.7674837E-03 Ex_ueg -0.1076781E-01 Ec_ueg -0.1975376E-02 Delta_ex -0.1295612E-01 Delta_ec 0.4808718E-02 Delta_et -0.4838955E-01 Pxc 0.5451016E+01 Qxc -0.2694298E+01 3,-1 107 3 -1 -0.609778 2.855070 -1.857107 Rho 0.1381463E+00 |GRAD(Rho)| 0.2118762E-13 GRAD(Rho)x 0.4015343E-14 GRAD(Rho)y 0.1567904E-13 GRAD(Rho)z 0.1367333E-13 Laplacian 0.5744697E+00 (-1/4)Del**2(Rho)) -0.1436174E+00 Diamond 0.1075329E+01 Metallicity 0.4428378E+01 Ellipticity 0.1309737E-01 Gb(Abramov) 0.2017437E+00 Vb(Abramov) -0.2598699E+00 Hb(Abramov) -0.5812623E-01 Ex_ueg -0.5274370E-01 Ec_ueg -0.7689078E-02 Delta_ex -0.6069444E-01 Delta_ec 0.1528557E-01 Delta_et -0.2018920E+00 Pxc 0.6859561E+01 Qxc -0.3970701E+01 3,-1 108 3 +1 -0.095190 3.036150 0.123058 Rho 0.4573624E-02 |GRAD(Rho)| 0.1282390E-15 GRAD(Rho)x -0.9492078E-16 GRAD(Rho)y -0.1657852E-16 GRAD(Rho)z 0.8461931E-16 Laplacian 0.1741596E-01 (-1/4)Del**2(Rho)) -0.4353990E-02 Diamond 0.3553850E-03 Metallicity 0.4986165E+00 Ellipticity -0.3466493E+01 Gb(Abramov) 0.3264488E-02 Vb(Abramov) -0.2174987E-02 Hb(Abramov) 0.1089501E-02 Ex_ueg -0.5607024E-03 Ec_ueg -0.1286105E-03 Delta_ex -0.8461085E-03 Delta_ec 0.5392518E-03 Delta_et -0.2854906E-02 Pxc 0.4359693E+01 Qxc -0.1569042E+01 3,+1 109 3 -1 -0.891891 3.051755 2.050105 Rho 0.1493415E+00 |GRAD(Rho)| 0.5199243E-15 GRAD(Rho)x 0.4544704E-15 GRAD(Rho)y -0.1684715E-15 GRAD(Rho)z 0.1881362E-15 Laplacian 0.5961627E+00 (-1/4)Del**2(Rho)) -0.1490407E+00 Diamond 0.1217309E+01 Metallicity 0.4859027E+01 Ellipticity 0.2901239E-01 Gb(Abramov) 0.2200592E+00 Vb(Abramov) -0.2910778E+00 Hb(Abramov) -0.7101854E-01 Ex_ueg -0.5851840E-01 Ec_ueg -0.8401375E-02 Delta_ex -0.6410890E-01 Delta_ec 0.1542077E-01 Delta_et -0.2057927E+00 Pxc 0.6965336E+01 Qxc -0.4157308E+01 3,-1 110 3 +1 3.014072 0.153016 -0.141606 Rho 0.5766450E-02 |GRAD(Rho)| 0.4137314E-16 GRAD(Rho)x 0.4693725E-17 GRAD(Rho)y 0.2800989E-16 GRAD(Rho)z -0.3008574E-16 Laplacian 0.2387348E-01 (-1/4)Del**2(Rho)) -0.5968371E-02 Diamond 0.6354075E-03 Metallicity 0.5352355E+00 Ellipticity -0.2532295E+01 Gb(Abramov) 0.4511328E-02 Vb(Abramov) -0.3054285E-02 Hb(Abramov) 0.1457043E-02 Ex_ueg -0.7637122E-03 Ec_ueg -0.1800439E-03 Delta_ex -0.1190468E-02 Delta_ec 0.6982440E-03 Delta_et -0.3978982E-02 Pxc 0.4241811E+01 Qxc -0.1704946E+01 3,+1 111 3 -1 -0.586237 -0.529148 -0.516154 Rho 0.1898424E+00 |GRAD(Rho)| 0.3025290E-14 GRAD(Rho)x 0.1668804E-14 GRAD(Rho)y 0.1589007E-14 GRAD(Rho)z 0.1960238E-14 Laplacian 0.5051311E+00 (-1/4)Del**2(Rho)) -0.1262828E+00 Diamond 0.1360408E+01 Metallicity 0.8554559E+01 Ellipticity 0.2255820E-01 Gb(Abramov) 0.2642374E+00 Vb(Abramov) -0.4021921E+00 Hb(Abramov) -0.1379547E+00 Ex_ueg -0.8058285E-01 Ec_ueg -0.1104116E-01 Delta_ex -0.5754641E-01 Delta_ec 0.1208759E-01 Delta_et -0.1655069E+00 Pxc 0.7298405E+01 Qxc -0.4760786E+01 3,-1 112 3 +3 1.005441 -1.142403 -1.214392 Rho 0.4425934E-02 |GRAD(Rho)| 0.9639474E-12 GRAD(Rho)x -0.8404992E-13 GRAD(Rho)y 0.9597728E-12 GRAD(Rho)z -0.3108668E-13 Laplacian 0.1730314E-01 (-1/4)Del**2(Rho)) -0.4325786E-02 Diamond 0.1352660E-03 Metallicity 0.4751489E+00 Ellipticity -0.4616328E+00 Gb(Abramov) 0.3226423E-02 Vb(Abramov) -0.2127060E-02 Hb(Abramov) 0.1099363E-02 Ex_ueg -0.5366918E-03 Ec_ueg -0.1222927E-03 Delta_ex -0.6140463E-03 Delta_ec 0.1405965E-03 Delta_et -0.9014069E-03 Pxc 0.4388585E+01 Qxc -0.4367435E+01 3,+3 113 3 +1 2.170429 1.260029 -1.139376 Rho 0.2470707E-01 |GRAD(Rho)| 0.9894419E-17 GRAD(Rho)x 0.3950981E-17 GRAD(Rho)y -0.7531187E-17 GRAD(Rho)z 0.5056728E-17 Laplacian 0.9695627E-01 (-1/4)Del**2(Rho)) -0.2423907E-01 Diamond 0.1318519E-01 Metallicity 0.1489611E+01 Ellipticity -0.5083112E+01 Gb(Abramov) 0.2217717E-01 Vb(Abramov) -0.2011528E-01 Hb(Abramov) 0.2061894E-02 Ex_ueg -0.5314716E-02 Ec_ueg -0.1073977E-02 Delta_ex -0.6089371E-02 Delta_ec 0.1784826E-02 Delta_et -0.1567608E-01 Pxc 0.4948631E+01 Qxc -0.3411744E+01 3,+1 114 3 -1 1.701078 1.733863 -0.532057 Rho 0.3886657E-01 |GRAD(Rho)| 0.1385786E-14 GRAD(Rho)x -0.2242259E-15 GRAD(Rho)y 0.1029012E-14 GRAD(Rho)z -0.9006997E-15 Laplacian 0.1502323E+00 (-1/4)Del**2(Rho)) -0.3755807E-01 Diamond 0.5263416E-01 Metallicity 0.2045551E+01 Ellipticity 0.4173823E-01 Gb(Abramov) 0.3784320E-01 Vb(Abramov) -0.3812834E-01 Hb(Abramov) -0.2851323E-03 Ex_ueg -0.9723441E-02 Ec_ueg -0.1809399E-02 Delta_ex -0.1152606E-01 Delta_ec 0.4329270E-02 Delta_et -0.4267789E-01 Pxc 0.5373852E+01 Qxc -0.2662356E+01 3,-1 115 3 -1 0.076933 -0.080244 2.972876 Rho 0.5867147E-02 |GRAD(Rho)| 0.1151542E-16 GRAD(Rho)x -0.9903259E-17 GRAD(Rho)y 0.5788888E-17 GRAD(Rho)z 0.1009523E-17 Laplacian 0.2342102E-01 (-1/4)Del**2(Rho)) -0.5855255E-02 Diamond 0.7536419E-03 Metallicity 0.5615465E+00 Ellipticity 0.4381479E+01 Gb(Abramov) 0.4451503E-02 Vb(Abramov) -0.3047751E-02 Hb(Abramov) 0.1403752E-02 Ex_ueg -0.7815457E-03 Ec_ueg -0.1844185E-03 Delta_ex -0.1258714E-02 Delta_ec 0.8398242E-03 Delta_et -0.4744477E-02 Pxc 0.4237893E+01 Qxc -0.1498783E+01 3,-1 116 3 -1 -0.535060 0.437948 0.455828 Rho 0.1771996E+00 |GRAD(Rho)| 0.9898570E-16 GRAD(Rho)x 0.2081668E-16 GRAD(Rho)y -0.9367507E-16 GRAD(Rho)z 0.2428613E-16 Laplacian 0.4611480E+00 (-1/4)Del**2(Rho)) -0.1152870E+00 Diamond 0.1161056E+01 Metallicity 0.8353675E+01 Ellipticity 0.2696332E-02 Gb(Abramov) 0.2373697E+00 Vb(Abramov) -0.3594524E+00 Hb(Abramov) -0.1220827E+00 Ex_ueg -0.7350815E-01 Ec_ueg -0.1020687E-01 Delta_ex -0.5177226E-01 Delta_ec 0.1149126E-01 Delta_et -0.1569772E+00 Pxc 0.7201835E+01 Qxc -0.4505360E+01 3,-1 117 3 +3 1.903480 -1.948737 1.929452 Rho 0.1238673E-01 |GRAD(Rho)| 0.2276659E-15 GRAD(Rho)x -0.1193083E-15 GRAD(Rho)y 0.1381576E-15 GRAD(Rho)z -0.1360506E-15 Laplacian 0.5823164E-01 (-1/4)Del**2(Rho)) -0.1455791E-01 Diamond 0.1504563E-02 Metallicity 0.7847210E+00 Ellipticity -0.8502144E+00 Gb(Abramov) 0.1160926E-01 Vb(Abramov) -0.8660602E-02 Hb(Abramov) 0.2948653E-02 Ex_ueg -0.2116706E-02 Ec_ueg -0.4774511E-03 Delta_ex -0.2628093E-02 Delta_ec 0.2946257E-03 Delta_et -0.2574717E-02 Pxc 0.4433347E+01 Qxc -0.8920108E+01 3,+3 118 3 -1 0.838343 -1.992147 2.999434 Rho 0.1370340E+00 |GRAD(Rho)| 0.1542060E-12 GRAD(Rho)x -0.1085252E-12 GRAD(Rho)y -0.8354125E-13 GRAD(Rho)z -0.7087045E-13 Laplacian 0.5434179E+00 (-1/4)Del**2(Rho)) -0.1358545E+00 Diamond 0.9853356E+00 Metallicity 0.4618771E+01 Ellipticity 0.4540804E-01 Gb(Abramov) 0.1951498E+00 Vb(Abramov) -0.2544450E+00 Hb(Abramov) -0.5929528E-01 Ex_ueg -0.5217824E-01 Ec_ueg -0.7618742E-02 Delta_ex -0.5705408E-01 Delta_ec 0.1404522E-01 Delta_et -0.1844020E+00 Pxc 0.6848669E+01 Qxc -0.4062170E+01 3,-1 119 3 +1 0.519470 1.700103 0.544973 Rho 0.7122321E-02 |GRAD(Rho)| 0.1752228E-16 GRAD(Rho)x -0.6889249E-17 GRAD(Rho)y -0.1348317E-16 GRAD(Rho)z -0.8818878E-17 Laplacian 0.2735162E-01 (-1/4)Del**2(Rho)) -0.6837905E-02 Diamond 0.5698417E-03 Metallicity 0.6642517E+00 Ellipticity -0.1396362E+01 Gb(Abramov) 0.5315618E-02 Vb(Abramov) -0.3793331E-02 Hb(Abramov) 0.1522287E-02 Ex_ueg -0.1012077E-02 Ec_ueg -0.2393579E-03 Delta_ex -0.1193839E-02 Delta_ec 0.3885407E-03 Delta_et -0.2526122E-02 Pxc 0.4228301E+01 Qxc -0.3072622E+01 3,+1 120 3 +3 -0.000246 -0.008886 2.290801 Rho 0.4696291E-02 |GRAD(Rho)| 0.1574461E-15 GRAD(Rho)x 0.1016137E-15 GRAD(Rho)y -0.1067096E-15 GRAD(Rho)z 0.5547071E-16 Laplacian 0.1917395E-01 (-1/4)Del**2(Rho)) -0.4793487E-02 Diamond 0.1576690E-03 Metallicity 0.4733255E+00 Ellipticity -0.2982635E+00 Gb(Abramov) 0.3573805E-02 Vb(Abramov) -0.2354122E-02 Hb(Abramov) 0.1219682E-02 Ex_ueg -0.5808425E-03 Ec_ueg -0.1338665E-03 Delta_ex -0.6861540E-03 Delta_ec 0.1471464E-03 Delta_et -0.9700202E-03 Pxc 0.4338970E+01 Qxc -0.4663071E+01 3,+3 121 3 +1 0.483404 -0.791784 -1.748598 Rho 0.5749503E-02 |GRAD(Rho)| 0.3089629E-13 GRAD(Rho)x -0.2426485E-13 GRAD(Rho)y 0.2169304E-14 GRAD(Rho)z 0.1900242E-13 Laplacian 0.2253301E-01 (-1/4)Del**2(Rho)) -0.5633254E-02 Diamond 0.4845310E-03 Metallicity 0.5643013E+00 Ellipticity -0.1729128E+01 Gb(Abramov) 0.4285311E-02 Vb(Abramov) -0.2937369E-02 Hb(Abramov) 0.1347942E-02 Ex_ueg -0.7607212E-03 Ec_ueg -0.1793082E-03 Delta_ex -0.1035992E-02 Delta_ec 0.5037696E-03 Delta_et -0.2934624E-02 Pxc 0.4242534E+01 Qxc -0.2056479E+01 3,+1 122 3 -1 -0.557699 1.744762 1.755991 Rho 0.4256455E-01 |GRAD(Rho)| 0.1887430E-13 GRAD(Rho)x 0.5911141E-14 GRAD(Rho)y 0.1276223E-13 GRAD(Rho)z 0.1258662E-13 Laplacian 0.1820870E+00 (-1/4)Del**2(Rho)) -0.4552176E-01 Diamond 0.7956148E-01 Metallicity 0.1963726E+01 Ellipticity 0.3628359E-01 Gb(Abramov) 0.4524655E-01 Vb(Abramov) -0.4497134E-01 Hb(Abramov) 0.2752087E-03 Ex_ueg -0.1097613E-01 Ec_ueg -0.2008192E-02 Delta_ex -0.1468461E-01 Delta_ec 0.5947018E-02 Delta_et -0.6017893E-01 Pxc 0.5465677E+01 Qxc -0.2469239E+01 3,-1 123 3 -1 -0.634959 1.809308 -2.897285 Rho 0.1479987E+00 |GRAD(Rho)| 0.3476033E-14 GRAD(Rho)x 0.3266078E-14 GRAD(Rho)y -0.1067451E-14 GRAD(Rho)z -0.5254450E-15 Laplacian 0.6283270E+00 (-1/4)Del**2(Rho)) -0.1570818E+00 Diamond 0.1267659E+01 Metallicity 0.4541407E+01 Ellipticity 0.1439844E-01 Gb(Abramov) 0.2236165E+00 Vb(Abramov) -0.2901513E+00 Hb(Abramov) -0.6653477E-01 Ex_ueg -0.5781787E-01 Ec_ueg -0.8315523E-02 Delta_ex -0.6740357E-01 Delta_ec 0.1626202E-01 Delta_et -0.2166755E+00 Pxc 0.6953005E+01 Qxc -0.4144845E+01 3,-1 124 3 -1 -0.568790 -1.793682 2.801318 Rho 0.1496772E+00 |GRAD(Rho)| 0.8717625E-15 GRAD(Rho)x 0.5760773E-15 GRAD(Rho)y -0.6527168E-15 GRAD(Rho)z -0.4544840E-16 Laplacian 0.6187131E+00 (-1/4)Del**2(Rho)) -0.1546783E+00 Diamond 0.1246030E+01 Metallicity 0.4699481E+01 Ellipticity 0.1506309E-01 Gb(Abramov) 0.2242701E+00 Vb(Abramov) -0.2938620E+00 Hb(Abramov) -0.6959184E-01 Ex_ueg -0.5869384E-01 Ec_ueg -0.8422853E-02 Delta_ex -0.6636331E-01 Delta_ec 0.1562538E-01 Delta_et -0.2077556E+00 Pxc 0.6968404E+01 Qxc -0.4247147E+01 3,-1 125 3 +1 0.326809 -1.567605 -1.674202 Rho 0.5989279E-02 |GRAD(Rho)| 0.3615680E-14 GRAD(Rho)x -0.1474735E-14 GRAD(Rho)y -0.3029866E-14 GRAD(Rho)z 0.1310805E-14 Laplacian 0.2367628E-01 (-1/4)Del**2(Rho)) -0.5919071E-02 Diamond 0.6003555E-03 Metallicity 0.5748977E+00 Ellipticity -0.2136914E+01 Gb(Abramov) 0.4513191E-02 Vb(Abramov) -0.3107310E-02 Hb(Abramov) 0.1405880E-02 Ex_ueg -0.8033124E-03 Ec_ueg -0.1897308E-03 Delta_ex -0.1143893E-02 Delta_ec 0.6106229E-03 Delta_et -0.3553826E-02 Pxc 0.4233958E+01 Qxc -0.1873322E+01 3,+1 126 3 +1 0.498098 0.484763 1.677839 Rho 0.8005140E-02 |GRAD(Rho)| 0.4409307E-14 GRAD(Rho)x 0.2106112E-14 GRAD(Rho)y -0.3682845E-14 GRAD(Rho)z -0.1201223E-14 Laplacian 0.3148068E-01 (-1/4)Del**2(Rho)) -0.7870170E-02 Diamond 0.7580168E-03 Metallicity 0.7012140E+00 Ellipticity -0.1400829E+01 Gb(Abramov) 0.6166559E-02 Vb(Abramov) -0.4462948E-02 Hb(Abramov) 0.1703611E-02 Ex_ueg -0.1182706E-02 Ec_ueg -0.2784435E-03 Delta_ex -0.1409371E-02 Delta_ec 0.4376047E-03 Delta_et -0.2940724E-02 Pxc 0.4247563E+01 Qxc -0.3220648E+01 3,+1 127 3 -1 0.256768 -1.220333 -1.891487 Rho 0.6251481E-02 |GRAD(Rho)| 0.4886893E-13 GRAD(Rho)x -0.4164231E-13 GRAD(Rho)y -0.2072996E-13 GRAD(Rho)z 0.1497862E-13 Laplacian 0.2494678E-01 (-1/4)Del**2(Rho)) -0.6236696E-02 Diamond 0.9289107E-03 Metallicity 0.5860078E+00 Ellipticity 0.6352207E+00 Gb(Abramov) 0.4766923E-02 Vb(Abramov) -0.3297150E-02 Hb(Abramov) 0.1469773E-02 Ex_ueg -0.8505416E-03 Ec_ueg -0.2011604E-03 Delta_ex -0.1394625E-02 Delta_ec 0.9618280E-03 Delta_et -0.5516066E-02 Pxc 0.4228177E+01 Qxc -0.1449973E+01 3,-1 128 3 -1 -0.041310 3.202109 -3.283009 Rho 0.2065581E+00 |GRAD(Rho)| 0.1011197E-15 GRAD(Rho)x -0.2532967E-16 GRAD(Rho)y 0.8852511E-16 GRAD(Rho)z 0.4179599E-16 Laplacian 0.7777101E+00 (-1/4)Del**2(Rho)) -0.1944275E+00 Diamond 0.2298833E+01 Metallicity 0.6395373E+01 Ellipticity 0.2333900E-02 Gb(Abramov) 0.3368578E+00 Vb(Abramov) -0.4792880E+00 Hb(Abramov) -0.1424303E+00 Ex_ueg -0.9017956E-01 Ec_ueg -0.1215809E-01 Delta_ex -0.9039911E-01 Delta_ec 0.1796518E-01 Delta_et -0.2469748E+00 Pxc 0.7417249E+01 Qxc -0.5031906E+01 3,-1 129 3 -1 0.052197 3.238578 3.282561 Rho 0.2075121E+00 |GRAD(Rho)| 0.2599758E-15 GRAD(Rho)x -0.1015897E-15 GRAD(Rho)y -0.9470506E-16 GRAD(Rho)z -0.2197678E-15 Laplacian 0.7838951E+00 (-1/4)Del**2(Rho)) -0.1959738E+00 Diamond 0.2326456E+01 Metallicity 0.6393826E+01 Ellipticity 0.6440920E-02 Gb(Abramov) 0.3394862E+00 Vb(Abramov) -0.4829986E+00 Hb(Abramov) -0.1435124E+00 Ex_ueg -0.9073528E-01 Ec_ueg -0.1222230E-01 Delta_ex -0.9120303E-01 Delta_ec 0.1804416E-01 Delta_et -0.2479938E+00 Pxc 0.7423749E+01 Qxc -0.5054434E+01 3,-1 130 3 -1 0.583902 2.833529 1.844712 Rho 0.1086110E+00 |GRAD(Rho)| 0.1889172E-15 GRAD(Rho)x 0.1206039E-15 GRAD(Rho)y 0.4302589E-16 GRAD(Rho)z -0.1388999E-15 Laplacian 0.4719750E+00 (-1/4)Del**2(Rho)) -0.1179938E+00 Diamond 0.6772729E+00 Metallicity 0.3609804E+01 Ellipticity 0.1531780E-01 Gb(Abramov) 0.1496516E+00 Vb(Abramov) -0.1813094E+00 Hb(Abramov) -0.3165780E-01 Ex_ueg -0.3827219E-01 Ec_ueg -0.5849562E-02 Delta_ex -0.4733482E-01 Delta_ec 0.1370841E-01 Delta_et -0.1741329E+00 Pxc 0.6542744E+01 Qxc -0.3452976E+01 3,-1 131 3 -1 0.390388 -0.516404 0.426557 Rho 0.1736654E+00 |GRAD(Rho)| 0.5321277E-15 GRAD(Rho)x 0.2081668E-15 GRAD(Rho)y -0.4579670E-15 GRAD(Rho)z 0.1734723E-15 Laplacian 0.4441168E+00 (-1/4)Del**2(Rho)) -0.1110292E+00 Diamond 0.1099589E+01 Metallicity 0.8387612E+01 Ellipticity 0.3310166E-02 Gb(Abramov) 0.2292311E+00 Vb(Abramov) -0.3474330E+00 Hb(Abramov) -0.1182019E+00 Ex_ueg -0.7155988E-01 Ec_ueg -0.9975283E-02 Delta_ex -0.4967672E-01 Delta_ec 0.1124363E-01 Delta_et -0.1535619E+00 Pxc 0.7173720E+01 Qxc -0.4418210E+01 3,-1 132 3 +1 0.151048 -0.156303 2.970085 Rho 0.5862569E-02 |GRAD(Rho)| 0.9662684E-18 GRAD(Rho)x -0.4049058E-18 GRAD(Rho)y -0.8252847E-18 GRAD(Rho)z 0.2977097E-18 Laplacian 0.2387780E-01 (-1/4)Del**2(Rho)) -0.5969450E-02 Diamond 0.6960827E-03 Metallicity 0.5500880E+00 Ellipticity -0.5032194E+01 Gb(Abramov) 0.4526921E-02 Vb(Abramov) -0.3084391E-02 Hb(Abramov) 0.1442530E-02 Ex_ueg -0.7807327E-03 Ec_ueg -0.1842195E-03 Delta_ex -0.1229412E-02 Delta_ec 0.7603948E-03 Delta_et -0.4328041E-02 Pxc 0.4238058E+01 Qxc -0.1616807E+01 3,+1 133 3 -1 0.391249 0.425022 -0.507557 Rho 0.1773120E+00 |GRAD(Rho)| 0.1399009E-15 GRAD(Rho)x 0.3469447E-17 GRAD(Rho)y 0.1006140E-15 GRAD(Rho)z 0.9714451E-16 Laplacian 0.4557768E+00 (-1/4)Del**2(Rho)) -0.1139442E+00 Diamond 0.1152635E+01 Metallicity 0.8461058E+01 Ellipticity 0.3306221E-02 Gb(Abramov) 0.2366442E+00 Vb(Abramov) -0.3593442E+00 Hb(Abramov) -0.1227000E+00 Ex_ueg -0.7357032E-01 Ec_ueg -0.1021424E-01 Delta_ex -0.5121106E-01 Delta_ec 0.1141572E-01 Delta_et -0.1561284E+00 Pxc 0.7202720E+01 Qxc -0.4486011E+01 3,-1 134 3 +3 1.072759 1.112189 1.073691 Rho 0.4399088E-02 |GRAD(Rho)| 0.3116857E-17 GRAD(Rho)x -0.2983021E-17 GRAD(Rho)y 0.3872388E-18 GRAD(Rho)z 0.8163503E-18 Laplacian 0.1706106E-01 (-1/4)Del**2(Rho)) -0.4265264E-02 Diamond 0.1058889E-03 Metallicity 0.4770293E+00 Ellipticity -0.1547979E+00 Gb(Abramov) 0.3182619E-02 Vb(Abramov) -0.2099973E-02 Hb(Abramov) 0.1082645E-02 Ex_ueg -0.5323558E-03 Ec_ueg -0.1211455E-03 Delta_ex -0.5754383E-03 Delta_ec 0.8673977E-04 Delta_et -0.6376177E-03 Pxc 0.4394351E+01 Qxc -0.6634077E+01 3,+3 135 3 +1 -0.204179 -2.333295 -1.098703 Rho 0.7785461E-02 |GRAD(Rho)| 0.4524897E-16 GRAD(Rho)x 0.1327738E-16 GRAD(Rho)y -0.4297320E-16 GRAD(Rho)z -0.4948137E-17 Laplacian 0.3042554E-01 (-1/4)Del**2(Rho)) -0.7606386E-02 Diamond 0.9539896E-03 Metallicity 0.6926525E+00 Ellipticity -0.1889691E+01 Gb(Abramov) 0.5949021E-02 Vb(Abramov) -0.4291656E-02 Hb(Abramov) 0.1657365E-02 Ex_ueg -0.1139631E-02 Ec_ueg -0.2686841E-03 Delta_ex -0.1480540E-02 Delta_ec 0.6513164E-03 Delta_et -0.4152393E-02 Pxc 0.4241527E+01 Qxc -0.2273151E+01 3,+1 136 3 +1 1.297145 -1.151259 2.159880 Rho 0.2681965E-01 |GRAD(Rho)| 0.1402629E-15 GRAD(Rho)x 0.3495864E-16 GRAD(Rho)y 0.7252368E-18 GRAD(Rho)z 0.1358347E-15 Laplacian 0.1048509E+00 (-1/4)Del**2(Rho)) -0.2621272E-01 Diamond 0.1518396E-01 Metallicity 0.1579294E+01 Ellipticity -0.4228840E+01 Gb(Abramov) 0.2437474E-01 Vb(Abramov) -0.2253677E-01 Hb(Abramov) 0.1837975E-02 Ex_ueg -0.5929106E-02 Ec_ueg -0.1180760E-02 Delta_ex -0.6652642E-02 Delta_ec 0.1792939E-02 Delta_et -0.1609687E-01 Pxc 0.5021432E+01 Qxc -0.3710468E+01 3,+1 137 3 +1 1.993069 -2.038510 2.022151 Rho 0.1243614E-01 |GRAD(Rho)| 0.6181618E-17 GRAD(Rho)x 0.5546895E-17 GRAD(Rho)y 0.2652410E-17 GRAD(Rho)z -0.6395975E-18 Laplacian 0.5898653E-01 (-1/4)Del**2(Rho)) -0.1474663E-01 Diamond 0.1937096E-02 Metallicity 0.7798353E+00 Ellipticity -0.1102945E+01 Gb(Abramov) 0.1174775E-01 Vb(Abramov) -0.8748860E-02 Hb(Abramov) 0.2998887E-02 Ex_ueg -0.2127972E-02 Ec_ueg -0.4797400E-03 Delta_ex -0.2776710E-02 Delta_ec 0.4974595E-03 Delta_et -0.3964866E-02 Pxc 0.4435677E+01 Qxc -0.5581781E+01 3,+1 138 3 -1 -0.083937 -3.198143 3.206736 Rho 0.2319696E+00 |GRAD(Rho)| 0.1267779E-13 GRAD(Rho)x 0.8849150E-14 GRAD(Rho)y -0.4247579E-14 GRAD(Rho)z -0.8023530E-14 Laplacian 0.8602672E+00 (-1/4)Del**2(Rho)) -0.2150668E+00 Diamond 0.2913069E+01 Metallicity 0.7015062E+01 Ellipticity 0.2418277E-02 Gb(Abramov) 0.3948290E+00 Vb(Abramov) -0.5745912E+00 Hb(Abramov) -0.1797622E+00 Ex_ueg -0.1052672E+00 Ec_ueg -0.1388576E-01 Delta_ex -0.1029788E+00 Delta_ec 0.1912206E-01 Delta_et -0.2642171E+00 Pxc 0.7580947E+01 Qxc -0.5385340E+01 3,-1 139 3 -1 0.837913 -2.999044 2.001611 Rho 0.1361941E+00 |GRAD(Rho)| 0.2176220E-15 GRAD(Rho)x -0.1612344E-15 GRAD(Rho)y 0.7878084E-16 GRAD(Rho)z 0.1231112E-15 Laplacian 0.5343541E+00 (-1/4)Del**2(Rho)) -0.1335885E+00 Diamond 0.9626946E+00 Metallicity 0.4649234E+01 Ellipticity 0.4810979E-01 Gb(Abramov) 0.1925731E+00 Vb(Abramov) -0.2515576E+00 Hb(Abramov) -0.5898455E-01 Ex_ueg -0.5175230E-01 Ec_ueg -0.7565687E-02 Delta_ex -0.5602920E-01 Delta_ec 0.1385023E-01 Delta_et -0.1817076E+00 Pxc 0.6840397E+01 Qxc -0.4045364E+01 3,-1 140 3 -1 0.462303 1.694988 -1.759123 Rho 0.4330295E-01 |GRAD(Rho)| 0.6019568E-14 GRAD(Rho)x 0.4362822E-14 GRAD(Rho)y 0.4666614E-15 GRAD(Rho)z 0.4121070E-14 Laplacian 0.1810013E+00 (-1/4)Del**2(Rho)) -0.4525034E-01 Diamond 0.8130653E-01 Metallicity 0.2032952E+01 Ellipticity 0.1067234E-01 Gb(Abramov) 0.4549885E-01 Vb(Abramov) -0.4574737E-01 Hb(Abramov) -0.2485169E-03 Ex_ueg -0.1123074E-01 Ec_ueg -0.2048175E-02 Delta_ex -0.1467678E-01 Delta_ec 0.5943620E-02 Delta_et -0.6043259E-01 Pxc 0.5483292E+01 Qxc -0.2469334E+01 3,-1 141 3 -1 0.555613 1.804316 2.808244 Rho 0.1051806E+00 |GRAD(Rho)| 0.7024240E-16 GRAD(Rho)x -0.1538889E-16 GRAD(Rho)y 0.3852983E-16 GRAD(Rho)z -0.5668006E-16 Laplacian 0.4582161E+00 (-1/4)Del**2(Rho)) -0.1145540E+00 Diamond 0.6271521E+00 Metallicity 0.3524537E+01 Ellipticity 0.1853859E-01 Gb(Abramov) 0.1436610E+00 Vb(Abramov) -0.1727680E+00 Hb(Abramov) -0.2910698E-01 Ex_ueg -0.3666900E-01 Ec_ueg -0.5639927E-02 Delta_ex -0.4552780E-01 Delta_ec 0.1324770E-01 Delta_et -0.1670109E+00 Pxc 0.6501680E+01 Qxc -0.3436657E+01 3,-1 142 3 -1 0.881957 1.944834 -3.032269 Rho 0.8776162E-01 |GRAD(Rho)| 0.2360701E-12 GRAD(Rho)x -0.1789684E-12 GRAD(Rho)y 0.1345656E-12 GRAD(Rho)z 0.7477650E-13 Laplacian 0.3658320E+00 (-1/4)Del**2(Rho)) -0.9145800E-01 Diamond 0.4026120E+00 Metallicity 0.3264669E+01 Ellipticity 0.5147417E-02 Gb(Abramov) 0.1107354E+00 Vb(Abramov) -0.1300127E+00 Hb(Abramov) -0.1927735E-01 Ex_ueg -0.2880434E-01 Ec_ueg -0.4589864E-02 Delta_ex -0.3487794E-01 Delta_ec 0.1100182E-01 Delta_et -0.1335271E+00 Pxc 0.6275640E+01 Qxc -0.3170198E+01 3,-1 143 3 -1 0.494686 -1.741620 1.710109 Rho 0.5010665E-01 |GRAD(Rho)| 0.1944374E-16 GRAD(Rho)x -0.1578764E-16 GRAD(Rho)y -0.8965420E-17 GRAD(Rho)z -0.6959223E-17 Laplacian 0.1990761E+00 (-1/4)Del**2(Rho)) -0.4976903E-01 Diamond 0.1003328E+00 Metallicity 0.2357326E+01 Ellipticity 0.1220126E-01 Gb(Abramov) 0.5273299E-01 Vb(Abramov) -0.5569695E-01 Hb(Abramov) -0.2963959E-02 Ex_ueg -0.1364307E-01 Ec_ueg -0.2420770E-02 Delta_ex -0.1635755E-01 Delta_ec 0.5864280E-02 Delta_et -0.6185279E-01 Pxc 0.5635840E+01 Qxc -0.2789353E+01 3,-1 144 3 +1 1.026630 2.165152 -1.450039 Rho 0.2474402E-01 |GRAD(Rho)| 0.9247503E-15 GRAD(Rho)x -0.4181027E-15 GRAD(Rho)y -0.8339785E-16 GRAD(Rho)z -0.8206083E-15 Laplacian 0.9339758E-01 (-1/4)Del**2(Rho)) -0.2334940E-01 Diamond 0.1066609E-01 Metallicity 0.1550224E+01 Ellipticity -0.2503464E+01 Gb(Abramov) 0.2159906E-01 Vb(Abramov) -0.1984873E-01 Hb(Abramov) 0.1750332E-02 Ex_ueg -0.5325315E-02 Ec_ueg -0.1075834E-02 Delta_ex -0.5641218E-02 Delta_ec 0.1314103E-02 Delta_et -0.1163540E-01 Pxc 0.4949939E+01 Qxc -0.4292828E+01 3,+1 145 3 -1 1.841650 2.829670 0.592653 Rho 0.1633961E+00 |GRAD(Rho)| 0.3443197E-15 GRAD(Rho)x -0.1511378E-15 GRAD(Rho)y 0.5725943E-17 GRAD(Rho)z -0.3093229E-15 Laplacian 0.6778982E+00 (-1/4)Del**2(Rho)) -0.1694746E+00 Diamond 0.1512621E+01 Metallicity 0.4964225E+01 Ellipticity 0.1462742E-01 Gb(Abramov) 0.2532013E+00 Vb(Abramov) -0.3369281E+00 Hb(Abramov) -0.8372679E-01 Ex_ueg -0.6597418E-01 Ec_ueg -0.9306501E-02 Delta_ex -0.7426882E-01 Delta_ec 0.1667840E-01 Delta_et -0.2241307E+00 Pxc 0.7089042E+01 Qxc -0.4452994E+01 3,-1 146 3 +1 1.659852 0.499538 0.507617 Rho 0.7510146E-02 |GRAD(Rho)| 0.2344544E-17 GRAD(Rho)x 0.7885380E-18 GRAD(Rho)y 0.1735003E-18 GRAD(Rho)z -0.2201134E-17 Laplacian 0.2950049E-01 (-1/4)Del**2(Rho)) -0.7375124E-02 Diamond 0.6572094E-03 Metallicity 0.6727667E+00 Ellipticity -0.1387050E+01 Gb(Abramov) 0.5743705E-02 Vb(Abramov) -0.4112287E-02 Hb(Abramov) 0.1631418E-02 Ex_ueg -0.1086216E-02 Ec_ueg -0.2564841E-03 Delta_ex -0.1302934E-02 Delta_ec 0.4158429E-03 Delta_et -0.2743910E-02 Pxc 0.4235023E+01 Qxc -0.3133237E+01 3,+1 147 3 +1 1.033905 1.397023 -2.220353 Rho 0.2471438E-01 |GRAD(Rho)| 0.3723138E-14 GRAD(Rho)x 0.7721267E-15 GRAD(Rho)y 0.3324727E-14 GRAD(Rho)z 0.1487200E-14 Laplacian 0.9343640E-01 (-1/4)Del**2(Rho)) -0.2335910E-01 Diamond 0.1052487E-01 Metallicity 0.1546488E+01 Ellipticity -0.2408032E+01 Gb(Abramov) 0.2159349E-01 Vb(Abramov) -0.1982789E-01 Hb(Abramov) 0.1765604E-02 Ex_ueg -0.5316813E-02 Ec_ueg -0.1074344E-02 Delta_ex -0.5627594E-02 Delta_ec 0.1289447E-02 Delta_et -0.1142128E-01 Pxc 0.4948890E+01 Qxc -0.4364345E+01 3,+1 148 3 +1 1.662327 -0.539998 -0.548287 Rho 0.8003275E-02 |GRAD(Rho)| 0.4124887E-13 GRAD(Rho)x -0.1012919E-13 GRAD(Rho)y 0.3848976E-13 GRAD(Rho)z -0.1083546E-13 Laplacian 0.3153515E-01 (-1/4)Del**2(Rho)) -0.7883787E-02 Diamond 0.7590624E-03 Metallicity 0.6997312E+00 Ellipticity -0.1397316E+01 Gb(Abramov) 0.6175280E-02 Vb(Abramov) -0.4466773E-02 Hb(Abramov) 0.1708507E-02 Ex_ueg -0.1182339E-02 Ec_ueg -0.2783606E-03 Delta_ex -0.1411714E-02 Delta_ec 0.4383397E-03 Delta_et -0.2945505E-02 Pxc 0.4247509E+01 Qxc -0.3220593E+01 3,+1 149 3 -1 1.204918 -2.303251 -1.980780 Rho 0.4632007E-01 |GRAD(Rho)| 0.5724649E-16 GRAD(Rho)x 0.1320056E-16 GRAD(Rho)y 0.4848987E-16 GRAD(Rho)z -0.2741603E-16 Laplacian 0.1250685E+00 (-1/4)Del**2(Rho)) -0.3126711E-01 Diamond 0.8804856E-01 Metallicity 0.3291653E+01 Ellipticity 0.9847609E-02 Gb(Abramov) 0.3799816E-01 Vb(Abramov) -0.4472920E-01 Hb(Abramov) -0.6731043E-02 Ex_ueg -0.1228600E-01 Ec_ueg -0.2212494E-02 Delta_ex -0.1157397E-01 Delta_ec 0.6362127E-02 Delta_et -0.6633754E-01 Pxc 0.5553012E+01 Qxc -0.1819198E+01 3,-1 150 3 +1 1.260732 -2.207868 1.148014 Rho 0.2864700E-01 |GRAD(Rho)| 0.1356920E-15 GRAD(Rho)x 0.4571586E-16 GRAD(Rho)y -0.1276031E-15 GRAD(Rho)z 0.6311417E-17 Laplacian 0.1152114E+00 (-1/4)Del**2(Rho)) -0.2880286E-01 Diamond 0.1910913E-01 Metallicity 0.1604166E+01 Ellipticity -0.6147554E+01 Gb(Abramov) 0.2690267E-01 Vb(Abramov) -0.2500248E-01 Hb(Abramov) 0.1900191E-02 Ex_ueg -0.6473769E-02 Ec_ueg -0.1274031E-02 Delta_ex -0.7516544E-02 Delta_ec 0.2105784E-02 Delta_et -0.1919102E-01 Pxc 0.5081327E+01 Qxc -0.3569476E+01 3,+1 151 3 +1 1.774084 1.767343 1.775228 Rho 0.1179934E-01 |GRAD(Rho)| 0.9942267E-15 GRAD(Rho)x -0.2168841E-15 GRAD(Rho)y 0.8281264E-15 GRAD(Rho)z -0.5056230E-15 Laplacian 0.5750158E-01 (-1/4)Del**2(Rho)) -0.1437539E-01 Diamond 0.2209989E-02 Metallicity 0.7328740E+00 Ellipticity -0.1260923E+01 Gb(Abramov) 0.1133949E-01 Vb(Abramov) -0.8303582E-02 Hb(Abramov) 0.3035906E-02 Ex_ueg -0.1983940E-02 Ec_ueg -0.4503136E-03 Delta_ex -0.2801672E-02 Delta_ec 0.7245026E-03 Delta_et -0.5427137E-02 Pxc 0.4405685E+01 Qxc -0.3867028E+01 3,+1 152 3 -1 1.219726 -1.769417 -2.549422 Rho 0.3081663E+00 |GRAD(Rho)| 0.1755052E-15 GRAD(Rho)x 0.1408921E-15 GRAD(Rho)y 0.3652787E-16 GRAD(Rho)z 0.9806736E-16 Laplacian -0.1536393E+01 (-1/4)Del**2(Rho)) 0.3840982E+00 Diamond 0.5237514E+01 Metallicity -0.6305983E+01 Ellipticity 0.5143145E-02 Gb(Abramov) 0.1476207E+00 Vb(Abramov) -0.6793396E+00 Hb(Abramov) -0.5317189E+00 Ex_ueg -0.1537324E+00 Ec_ueg -0.1927869E-01 Delta_ex 0.1503453E+00 Delta_ec 0.5432730E-01 Delta_et -0.1267216E+01 Pxc 0.7974213E+01 Qxc 0.2767399E+01 3,-1 153 3 +1 1.900103 -1.805239 -1.719508 Rho 0.1494784E-01 |GRAD(Rho)| 0.5369380E-15 GRAD(Rho)x 0.2179212E-16 GRAD(Rho)y 0.3563314E-15 GRAD(Rho)z -0.4010680E-15 Laplacian 0.7010597E-01 (-1/4)Del**2(Rho)) -0.1752649E-01 Diamond 0.3856071E-02 Metallicity 0.8915707E+00 Ellipticity -0.1428682E+01 Gb(Abramov) 0.1428868E-01 Vb(Abramov) -0.1105087E-01 Hb(Abramov) 0.3237813E-02 Ex_ueg -0.2719505E-02 Ec_ueg -0.5973063E-03 Delta_ex -0.3665755E-02 Delta_ec 0.9321037E-03 Delta_et -0.7355763E-02 Pxc 0.4552948E+01 Qxc -0.3932776E+01 3,+1 154 3 -1 1.673606 -1.774057 0.482667 Rho 0.4659272E-01 |GRAD(Rho)| 0.1158948E-15 GRAD(Rho)x -0.8319854E-16 GRAD(Rho)y 0.7685172E-16 GRAD(Rho)z 0.2456480E-16 Laplacian 0.1837221E+00 (-1/4)Del**2(Rho)) -0.4593054E-01 Diamond 0.8390118E-01 Metallicity 0.2262812E+01 Ellipticity 0.9551858E-02 Gb(Abramov) 0.4794239E-01 Vb(Abramov) -0.4995424E-01 Hb(Abramov) -0.2011850E-02 Ex_ueg -0.1238252E-01 Ec_ueg -0.2227416E-02 Delta_ex -0.1482323E-01 Delta_ec 0.5416868E-02 Delta_et -0.5605749E-01 Pxc 0.5559143E+01 Qxc -0.2736495E+01 3,-1 155 3 +3 2.259417 0.002842 -0.000177 Rho 0.4434126E-02 |GRAD(Rho)| 0.4335619E-17 GRAD(Rho)x -0.4277445E-17 GRAD(Rho)y 0.1784222E-18 GRAD(Rho)z 0.6849952E-18 Laplacian 0.1822481E-01 (-1/4)Del**2(Rho)) -0.4556202E-02 Diamond 0.1367808E-03 Metallicity 0.4525122E+00 Ellipticity -0.2975076E+00 Gb(Abramov) 0.3381091E-02 Vb(Abramov) -0.2205980E-02 Hb(Abramov) 0.1175111E-02 Ex_ueg -0.5380168E-03 Ec_ueg -0.1226428E-03 Delta_ex -0.6404720E-03 Delta_ec 0.1363162E-03 Delta_et -0.8929896E-03 Pxc 0.4386859E+01 Qxc -0.4698430E+01 3,+3 156 3 -1 1.815643 0.534594 2.782705 Rho 0.1601461E+00 |GRAD(Rho)| 0.4097888E-13 GRAD(Rho)x 0.3504166E-13 GRAD(Rho)y -0.3395667E-14 GRAD(Rho)z 0.2097189E-13 Laplacian 0.6619608E+00 (-1/4)Del**2(Rho)) -0.1654902E+00 Diamond 0.1438480E+01 Metallicity 0.4916335E+01 Ellipticity 0.1040897E-01 Gb(Abramov) 0.2459277E+00 Vb(Abramov) -0.3263651E+00 Hb(Abramov) -0.8043747E-01 Ex_ueg -0.6423033E-01 Ec_ueg -0.9096142E-02 Delta_ex -0.7213053E-01 Delta_ec 0.1631515E-01 Delta_et -0.2185669E+00 Pxc 0.7061272E+01 Qxc -0.4421077E+01 3,-1 157 3 -1 1.756227 0.527518 -1.743924 Rho 0.4018101E-01 |GRAD(Rho)| 0.1267385E-15 GRAD(Rho)x 0.1225644E-15 GRAD(Rho)y -0.3153917E-16 GRAD(Rho)z -0.6775628E-17 Laplacian 0.1567231E+00 (-1/4)Del**2(Rho)) -0.3918078E-01 Diamond 0.5764894E-01 Metallicity 0.2072597E+01 Ellipticity 0.3492296E-01 Gb(Abramov) 0.3965485E-01 Vb(Abramov) -0.4012892E-01 Hb(Abramov) -0.4740691E-03 Ex_ueg -0.1016435E-01 Ec_ueg -0.1879777E-02 Delta_ex -0.1213565E-01 Delta_ec 0.4535837E-02 Delta_et -0.4511665E-01 Pxc 0.5407209E+01 Qxc -0.2675505E+01 3,-1 158 3 -1 2.106546 0.828957 -3.019231 Rho 0.1730916E+00 |GRAD(Rho)| 0.1567340E-15 GRAD(Rho)x -0.9435269E-16 GRAD(Rho)y 0.1092876E-15 GRAD(Rho)z 0.6098637E-16 Laplacian 0.6744437E+00 (-1/4)Del**2(Rho)) -0.1686109E+00 Diamond 0.1618921E+01 Metallicity 0.5492804E+01 Ellipticity 0.4603251E-01 Gb(Abramov) 0.2667651E+00 Vb(Abramov) -0.3649192E+00 Hb(Abramov) -0.9815415E-01 Ex_ueg -0.7124477E-01 Ec_ueg -0.9937749E-02 Delta_ex -0.7501319E-01 Delta_ec 0.1643814E-01 Delta_et -0.2226382E+00 Pxc 0.7169106E+01 Qxc -0.4563362E+01 3,-1 159 3 -1 1.792938 -2.856214 -0.602637 Rho 0.1991643E+00 |GRAD(Rho)| 0.1263239E-13 GRAD(Rho)x -0.1054609E-13 GRAD(Rho)y 0.6862553E-14 GRAD(Rho)z -0.1123667E-14 Laplacian 0.7757091E+00 (-1/4)Del**2(Rho)) -0.1939273E+00 Diamond 0.2174398E+01 Metallicity 0.6033927E+01 Ellipticity 0.6739907E-02 Gb(Abramov) 0.3243087E+00 Vb(Abramov) -0.4546901E+00 Hb(Abramov) -0.1303814E+00 Ex_ueg -0.8590142E-01 Ec_ueg -0.1166211E-01 Delta_ex -0.8919112E-01 Delta_ec 0.1785351E-01 Delta_et -0.2439052E+00 Pxc 0.7365856E+01 Qxc -0.4995719E+01 3,-1 160 3 -1 2.776348 -1.833607 -0.571363 Rho 0.1451150E+00 |GRAD(Rho)| 0.2252749E-15 GRAD(Rho)x 0.2577013E-16 GRAD(Rho)y -0.1032703E-15 GRAD(Rho)z 0.1985445E-15 Laplacian 0.5955567E+00 (-1/4)Del**2(Rho)) -0.1488892E+00 Diamond 0.1159910E+01 Metallicity 0.4636716E+01 Ellipticity 0.1350768E-01 Gb(Abramov) 0.2143189E+00 Vb(Abramov) -0.2797487E+00 Hb(Abramov) -0.6542974E-01 Ex_ueg -0.5632070E-01 Ec_ueg -0.8131540E-02 Delta_ex -0.6344061E-01 Delta_ec 0.1523611E-01 Delta_et -0.2018746E+00 Pxc 0.6926204E+01 Qxc -0.4163833E+01 3,-1 161 3 -1 1.957253 -3.028224 0.837612 Rho 0.1320825E+00 |GRAD(Rho)| 0.1204114E-13 GRAD(Rho)x -0.9806033E-14 GRAD(Rho)y 0.5623343E-14 GRAD(Rho)z 0.4148361E-14 Laplacian 0.5123744E+00 (-1/4)Del**2(Rho)) -0.1280936E+00 Diamond 0.8975925E+00 Metallicity 0.4607171E+01 Ellipticity 0.3322034E-01 Gb(Abramov) 0.1837539E+00 Vb(Abramov) -0.2394142E+00 Hb(Abramov) -0.5566031E-01 Ex_ueg -0.4967965E-01 Ec_ueg -0.7306599E-02 Delta_ex -0.5342001E-01 Delta_ec 0.1354500E-01 Delta_et -0.1771677E+00 Pxc 0.6799286E+01 Qxc -0.3943893E+01 3,-1 162 3 +1 2.062023 1.992688 -2.025735 Rho 0.1166829E-01 |GRAD(Rho)| 0.1223804E-14 GRAD(Rho)x 0.7952788E-15 GRAD(Rho)y 0.7941850E-15 GRAD(Rho)z -0.4842497E-15 Laplacian 0.5291539E-01 (-1/4)Del**2(Rho)) -0.1322885E-01 Diamond 0.1646121E-02 Metallicity 0.7817052E+00 Ellipticity -0.1141605E+01 Gb(Abramov) 0.1054274E-01 Vb(Abramov) -0.7856636E-02 Hb(Abramov) 0.2686106E-02 Ex_ueg -0.1954615E-02 Ec_ueg -0.4442777E-03 Delta_ex -0.2463614E-02 Delta_ec 0.4756795E-03 Delta_et -0.3707056E-02 Pxc 0.4399534E+01 Qxc -0.5179145E+01 3,+1 163 3 -1 2.042693 3.008122 -0.846422 Rho 0.1720761E+00 |GRAD(Rho)| 0.5616499E-12 GRAD(Rho)x 0.3075323E-12 GRAD(Rho)y -0.1851304E-12 GRAD(Rho)z 0.4319736E-12 Laplacian 0.6687049E+00 (-1/4)Del**2(Rho)) -0.1671762E+00 Diamond 0.1591875E+01 Metallicity 0.5485877E+01 Ellipticity 0.4237642E-01 Gb(Abramov) 0.2643022E+00 Vb(Abramov) -0.3614281E+00 Hb(Abramov) -0.9712596E-01 Ex_ueg -0.7068799E-01 Ec_ueg -0.9871372E-02 Delta_ex -0.7424903E-01 Delta_ec 0.1629409E-01 Delta_et -0.2204594E+00 Pxc 0.7160909E+01 Qxc -0.4556807E+01 3,-1 164 3 -1 1.986044 -0.864728 2.996655 Rho 0.1332303E+00 |GRAD(Rho)| 0.1810583E-12 GRAD(Rho)x -0.9703879E-13 GRAD(Rho)y -0.1299645E-12 GRAD(Rho)z 0.8046619E-13 Laplacian 0.5190298E+00 (-1/4)Del**2(Rho)) -0.1297574E+00 Diamond 0.9158859E+00 Metallicity 0.4614160E+01 Ellipticity 0.2925070E-01 Gb(Abramov) 0.1862919E+00 Vb(Abramov) -0.2428263E+00 Hb(Abramov) -0.5653445E-01 Ex_ueg -0.5025614E-01 Ec_ueg -0.7378817E-02 Delta_ex -0.5419351E-01 Delta_ec 0.1363284E-01 Delta_et -0.1784514E+00 Pxc 0.6810866E+01 Qxc -0.3975217E+01 3,-1 165 3 -1 1.980960 -0.599474 -2.809974 Rho 0.1481837E+00 |GRAD(Rho)| 0.1649258E-15 GRAD(Rho)x -0.8322607E-16 GRAD(Rho)y -0.1321371E-15 GRAD(Rho)z -0.5304459E-16 Laplacian 0.5617732E+00 (-1/4)Del**2(Rho)) -0.1404433E+00 Diamond 0.1142298E+01 Metallicity 0.5090021E+01 Ellipticity 0.1121532E+00 Gb(Abramov) 0.2127721E+00 Vb(Abramov) -0.2851009E+00 Hb(Abramov) -0.7232878E-01 Ex_ueg -0.5791428E-01 Ec_ueg -0.8327346E-02 Delta_ex -0.6035545E-01 Delta_ec 0.1466539E-01 Delta_et -0.1957279E+00 Pxc 0.6954710E+01 Qxc -0.4115504E+01 3,-1 166 3 -1 3.230027 3.215774 0.089776 Rho 0.2332989E+00 |GRAD(Rho)| 0.5804339E-15 GRAD(Rho)x -0.3280796E-15 GRAD(Rho)y -0.4705437E-15 GRAD(Rho)z -0.8863353E-16 Laplacian 0.8495514E+00 (-1/4)Del**2(Rho)) -0.2123878E+00 Diamond 0.2908199E+01 Metallicity 0.7171523E+01 Ellipticity 0.2497899E-02 Gb(Abramov) 0.3954493E+00 Vb(Abramov) -0.5785107E+00 Hb(Abramov) -0.1830614E+00 Ex_ueg -0.1060723E+00 Ec_ueg -0.1397712E-01 Delta_ex -0.1019114E+00 Delta_ec 0.1896646E-01 Delta_et -0.2626161E+00 Pxc 0.7588998E+01 Qxc -0.5373245E+01 3,-1 167 3 +3 1.945953 1.893476 -1.925485 Rho 0.1159576E-01 |GRAD(Rho)| 0.2510767E-14 GRAD(Rho)x -0.8994222E-15 GRAD(Rho)y 0.2195222E-14 GRAD(Rho)z 0.8221860E-15 Laplacian 0.5197846E-01 (-1/4)Del**2(Rho)) -0.1299462E-01 Diamond 0.1213154E-02 Metallicity 0.7875684E+00 Ellipticity -0.7775330E+00 Gb(Abramov) 0.1036877E-01 Vb(Abramov) -0.7742922E-02 Hb(Abramov) 0.2625847E-02 Ex_ueg -0.1938432E-02 Ec_ueg -0.4409401E-03 Delta_ex -0.2297874E-02 Delta_ec 0.2566490E-03 Delta_et -0.2235345E-02 Pxc 0.4396135E+01 Qxc -0.8953372E+01 3,+3 168 3 -1 2.786645 1.813629 0.574784 Rho 0.1272926E+00 |GRAD(Rho)| 0.5340211E-12 GRAD(Rho)x 0.1241941E-12 GRAD(Rho)y -0.3952739E-12 GRAD(Rho)z 0.3369168E-12 Laplacian 0.5317163E+00 (-1/4)Del**2(Rho)) -0.1329291E+00 Diamond 0.8843036E+00 Metallicity 0.4174506E+01 Ellipticity 0.7426782E-02 Gb(Abramov) 0.1811049E+00 Vb(Abramov) -0.2292808E+00 Hb(Abramov) -0.4817584E-01 Ex_ueg -0.4729217E-01 Ec_ueg -0.7006180E-02 Delta_ex -0.5486288E-01 Delta_ec 0.1403119E-01 Delta_et -0.1821470E+00 Pxc 0.6750065E+01 Qxc -0.3910067E+01 3,-1 169 3 -1 2.940616 -2.025066 0.829557 Rho 0.1097678E+00 |GRAD(Rho)| 0.4205269E-13 GRAD(Rho)x 0.2879111E-13 GRAD(Rho)y 0.2931689E-13 GRAD(Rho)z -0.8945407E-14 Laplacian 0.4349003E+00 (-1/4)Del**2(Rho)) -0.1087251E+00 Diamond 0.6021809E+00 Metallicity 0.3987326E+01 Ellipticity 0.1263559E-01 Gb(Abramov) 0.1447371E+00 Vb(Abramov) -0.1807491E+00 Hb(Abramov) -0.3601203E-01 Ex_ueg -0.3881668E-01 Ec_ueg -0.5920457E-02 Delta_ex -0.4327226E-01 Delta_ec 0.1179551E-01 Delta_et -0.1490621E+00 Pxc 0.6556365E+01 Qxc -0.3668538E+01 3,-1 170 3 +1 2.992244 -0.185265 0.195746 Rho 0.5786132E-02 |GRAD(Rho)| 0.7544144E-17 GRAD(Rho)x 0.1212137E-17 GRAD(Rho)y 0.7405755E-17 GRAD(Rho)z 0.7743499E-18 Laplacian 0.2391419E-01 (-1/4)Del**2(Rho)) -0.5978547E-02 Diamond 0.6520528E-03 Metallicity 0.5373675E+00 Ellipticity -0.2826623E+01 Gb(Abramov) 0.4521144E-02 Vb(Abramov) -0.3063741E-02 Hb(Abramov) 0.1457403E-02 Ex_ueg -0.7671898E-03 Ec_ueg -0.1808986E-03 Delta_ex -0.1202977E-02 Delta_ec 0.7166762E-03 Delta_et -0.4080790E-02 Pxc 0.4240994E+01 Qxc -0.1678550E+01 3,+1 171 3 -1 2.852266 -0.556632 -1.784720 Rho 0.1246861E+00 |GRAD(Rho)| 0.3867760E-12 GRAD(Rho)x -0.3509156E-13 GRAD(Rho)y 0.2297914E-12 GRAD(Rho)z -0.3091280E-12 Laplacian 0.5144402E+00 (-1/4)Del**2(Rho)) -0.1286100E+00 Diamond 0.8335176E+00 Metallicity 0.4168455E+01 Ellipticity 0.1457340E-01 Gb(Abramov) 0.1750909E+00 Vb(Abramov) -0.2215717E+00 Hb(Abramov) -0.4648085E-01 Ex_ueg -0.4600544E-01 Ec_ueg -0.6843347E-02 Delta_ex -0.5280403E-01 Delta_ec 0.1361826E-01 Delta_et -0.1761355E+00 Pxc 0.6722652E+01 Qxc -0.3877443E+01 3,-1 172 3 -1 3.212205 0.046704 3.197759 Rho 0.2316303E+00 |GRAD(Rho)| 0.2265522E-15 GRAD(Rho)x -0.1044087E-15 GRAD(Rho)y 0.8918918E-16 GRAD(Rho)z -0.1801944E-15 Laplacian 0.8477240E+00 (-1/4)Del**2(Rho)) -0.2119310E+00 Diamond 0.2874870E+01 Metallicity 0.7101515E+01 Ellipticity 0.5550137E-02 Gb(Abramov) 0.3921259E+00 Vb(Abramov) -0.5723207E+00 Hb(Abramov) -0.1801949E+00 Ex_ueg -0.1050620E+00 Ec_ueg -0.1386246E-01 Delta_ex -0.1014907E+00 Delta_ec 0.1894424E-01 Delta_et -0.2621378E+00 Pxc 0.7578884E+01 Qxc -0.5357338E+01 3,-1 173 3 -1 3.365068 -0.022190 -3.161570 Rho 0.2326044E+00 |GRAD(Rho)| 0.3129040E-14 GRAD(Rho)x -0.2497134E-14 GRAD(Rho)y -0.1869517E-14 GRAD(Rho)z -0.2451923E-15 Laplacian 0.8489813E+00 (-1/4)Del**2(Rho)) -0.2122453E+00 Diamond 0.2893490E+01 Metallicity 0.7140766E+01 Ellipticity 0.2822443E-02 Gb(Abramov) 0.3940959E+00 Vb(Abramov) -0.5759465E+00 Hb(Abramov) -0.1818506E+00 Ex_ueg -0.1056515E+00 Ec_ueg -0.1392937E-01 Delta_ex -0.1017510E+00 Delta_ec 0.1894696E-01 Delta_et -0.2622141E+00 Pxc 0.7584797E+01 Qxc -0.5370307E+01 3,-1 174 3 -1 3.077564 0.844750 -1.946215 Rho 0.1458297E+00 |GRAD(Rho)| 0.4880981E-15 GRAD(Rho)x 0.3523657E-17 GRAD(Rho)y -0.4845842E-15 GRAD(Rho)z -0.5835718E-16 Laplacian 0.5831350E+00 (-1/4)Del**2(Rho)) -0.1457838E+00 Diamond 0.1142484E+01 Metallicity 0.4774419E+01 Ellipticity 0.4000563E-01 Gb(Abramov) 0.2131946E+00 Vb(Abramov) -0.2806055E+00 Hb(Abramov) -0.6741086E-01 Ex_ueg -0.5669084E-01 Ec_ueg -0.8177089E-02 Delta_ex -0.6219262E-01 Delta_ec 0.1490111E-01 Delta_et -0.1975778E+00 Pxc 0.6932888E+01 Qxc -0.4173691E+01 3,-1 175 3 -1 2.791044 0.551951 1.800984 Rho 0.1471666E+00 |GRAD(Rho)| 0.3405775E-15 GRAD(Rho)x 0.1185846E-15 GRAD(Rho)y 0.3104884E-16 GRAD(Rho)z -0.3177526E-15 Laplacian 0.6096483E+00 (-1/4)Del**2(Rho)) -0.1524121E+00 Diamond 0.1206895E+01 Metallicity 0.4636775E+01 Ellipticity 0.1675804E-01 Gb(Abramov) 0.2193915E+00 Vb(Abramov) -0.2863709E+00 Hb(Abramov) -0.6697940E-01 Ex_ueg -0.5738488E-01 Ec_ueg -0.8262385E-02 Delta_ex -0.6515874E-01 Delta_ec 0.1553082E-01 Delta_et -0.2061680E+00 Pxc 0.6945317E+01 Qxc -0.4195446E+01 3,-1 176 3 -1 3.170079 -3.249010 -0.084252 Rho 0.2285604E+00 |GRAD(Rho)| 0.1712929E-14 GRAD(Rho)x 0.7333543E-15 GRAD(Rho)y -0.1455216E-14 GRAD(Rho)z -0.5278845E-15 Laplacian 0.8444806E+00 (-1/4)Del**2(Rho)) -0.2111202E+00 Diamond 0.2815040E+01 Metallicity 0.6972019E+01 Ellipticity 0.9756546E-02 Gb(Abramov) 0.3860691E+00 Vb(Abramov) -0.5610180E+00 Hb(Abramov) -0.1749489E+00 Ex_ueg -0.1032095E+00 Ec_ueg -0.1365191E-01 Delta_ex -0.1007341E+00 Delta_ec 0.1891236E-01 Delta_et -0.2614019E+00 Pxc 0.7560077E+01 Qxc -0.5326366E+01 3,-1 177 3 -1 3.023026 1.984991 -0.798349 Rho 0.1286111E+00 |GRAD(Rho)| 0.4305127E-15 GRAD(Rho)x -0.1020370E-15 GRAD(Rho)y 0.2632036E-15 GRAD(Rho)z 0.3250438E-15 Laplacian 0.5091972E+00 (-1/4)Del**2(Rho)) -0.1272993E+00 Diamond 0.8610837E+00 Metallicity 0.4434638E+01 Ellipticity 0.2067812E-01 Gb(Abramov) 0.1789539E+00 Vb(Abramov) -0.2306085E+00 Hb(Abramov) -0.5165462E-01 Ex_ueg -0.4794646E-01 Ec_ueg -0.7088727E-02 Delta_ex -0.5271477E-01 Delta_ec 0.1348438E-01 Delta_et -0.1754932E+00 Pxc 0.6763761E+01 Qxc -0.3909320E+01 3,-1 178 3 -1 -3.299952 -3.156929 0.136054 Rho 0.2318774E+00 |GRAD(Rho)| 0.3503923E-15 GRAD(Rho)x 0.2032337E-15 GRAD(Rho)y 0.2243756E-15 GRAD(Rho)z -0.1764268E-15 Laplacian 0.8723535E+00 (-1/4)Del**2(Rho)) -0.2180884E+00 Diamond 0.2947045E+01 Metallicity 0.6913287E+01 Ellipticity 0.4574145E-02 Gb(Abramov) 0.3966769E+00 Vb(Abramov) -0.5752653E+00 Hb(Abramov) -0.1785885E+00 Ex_ueg -0.1052114E+00 Ec_ueg -0.1387943E-01 Delta_ex -0.1043839E+00 Delta_ec 0.1933786E-01 Delta_et -0.2669608E+00 Pxc 0.7580387E+01 Qxc -0.5397904E+01 3,-1 179 3 -1 -2.838664 0.502040 -1.878679 Rho 0.8105647E-01 |GRAD(Rho)| 0.2459228E-14 GRAD(Rho)x 0.3623310E-15 GRAD(Rho)y -0.1385444E-14 GRAD(Rho)z -0.1999265E-14 Laplacian 0.3526447E+00 (-1/4)Del**2(Rho)) -0.8816118E-01 Diamond 0.3502373E+00 Metallicity 0.2966574E+01 Ellipticity 0.1211839E-01 Gb(Abramov) 0.1023636E+00 Vb(Abramov) -0.1165660E+00 Hb(Abramov) -0.1420239E-01 Ex_ueg -0.2590808E-01 Ec_ueg -0.4192615E-02 Delta_ex -0.3297451E-01 Delta_ec 0.1068834E-01 Delta_et -0.1273598E+00 Pxc 0.6179456E+01 Qxc -0.3085092E+01 3,-1 180 3 -1 -2.032752 3.028161 0.856911 Rho 0.9925332E-01 |GRAD(Rho)| 0.5943376E-13 GRAD(Rho)x -0.3227116E-13 GRAD(Rho)y -0.2220243E-13 GRAD(Rho)z -0.4469895E-13 Laplacian 0.4097412E+00 (-1/4)Del**2(Rho)) -0.1024353E+00 Diamond 0.5152252E+00 Metallicity 0.3578315E+01 Ellipticity 0.1874719E-01 Gb(Abramov) 0.1293812E+00 Vb(Abramov) -0.1563270E+00 Hb(Abramov) -0.2694586E-01 Ex_ueg -0.3393999E-01 Ec_ueg -0.5279843E-02 Delta_ex -0.4003714E-01 Delta_ec 0.1175935E-01 Delta_et -0.1462372E+00 Pxc 0.6428221E+01 Qxc -0.3404707E+01 3,-1 181 3 -1 -0.586246 -2.762628 1.825554 Rho 0.1623582E+00 |GRAD(Rho)| 0.3375508E-15 GRAD(Rho)x 0.2805915E-15 GRAD(Rho)y -0.8572651E-16 GRAD(Rho)z 0.1669129E-15 Laplacian 0.6768090E+00 (-1/4)Del**2(Rho)) -0.1692022E+00 Diamond 0.1496890E+01 Metallicity 0.4919688E+01 Ellipticity 0.2309615E-01 Gb(Abramov) 0.2515385E+00 Vb(Abramov) -0.3338748E+00 Hb(Abramov) -0.8233629E-01 Ex_ueg -0.6541602E-01 Ec_ueg -0.9239256E-02 Delta_ex -0.7401593E-01 Delta_ec 0.1665016E-01 Delta_et -0.2235028E+00 Pxc 0.7080226E+01 Qxc -0.4445360E+01 3,-1 182 3 -1 0.869659 2.971974 -2.016544 Rho 0.8907228E-01 |GRAD(Rho)| 0.3545636E-12 GRAD(Rho)x -0.2738358E-12 GRAD(Rho)y -0.1155559E-12 GRAD(Rho)z -0.1933291E-12 Laplacian 0.3738595E+00 (-1/4)Del**2(Rho)) -0.9346487E-01 Diamond 0.4190638E+00 Metallicity 0.3274480E+01 Ellipticity 0.4827469E-02 Gb(Abramov) 0.1133181E+00 Vb(Abramov) -0.1331712E+00 Hb(Abramov) -0.1985319E-01 Ex_ueg -0.2937932E-01 Ec_ueg -0.4667990E-02 Delta_ex -0.3576644E-01 Delta_ec 0.1121480E-01 Delta_et -0.1365611E+00 Pxc 0.6293785E+01 Qxc -0.3189219E+01 3,-1 183 3 -1 -3.215987 -0.077374 3.266742 Rho 0.2323518E+00 |GRAD(Rho)| 0.3019741E-14 GRAD(Rho)x 0.2686436E-14 GRAD(Rho)y -0.6758916E-15 GRAD(Rho)z -0.1202109E-14 Laplacian 0.8585354E+00 (-1/4)Del**2(Rho)) -0.2146338E+00 Diamond 0.2915694E+01 Metallicity 0.7048529E+01 Ellipticity 0.2113203E-02 Gb(Abramov) 0.3952314E+00 Vb(Abramov) -0.5758289E+00 Hb(Abramov) -0.1805975E+00 Ex_ueg -0.1054986E+00 Ec_ueg -0.1391202E-01 Delta_ex -0.1028307E+00 Delta_ec 0.1910140E-01 Delta_et -0.2640645E+00 Pxc 0.7583267E+01 Qxc -0.5383411E+01 3,-1 184 3 -1 2.974822 -0.867391 1.994381 Rho 0.1521658E+00 |GRAD(Rho)| 0.3758766E-13 GRAD(Rho)x -0.1475786E-13 GRAD(Rho)y 0.2678958E-13 GRAD(Rho)z 0.2184849E-13 Laplacian 0.6015439E+00 (-1/4)Del**2(Rho)) -0.1503860E+00 Diamond 0.1234388E+01 Metallicity 0.4968296E+01 Ellipticity 0.4465330E-01 Gb(Abramov) 0.2247843E+00 Vb(Abramov) -0.2991827E+00 Hb(Abramov) -0.7439834E-01 Ex_ueg -0.5999859E-01 Ec_ueg -0.8582298E-02 Delta_ex -0.6477161E-01 Delta_ec 0.1510679E-01 Delta_et -0.2012603E+00 Pxc 0.6990969E+01 Qxc -0.4287583E+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 80 143 124 181 118 139 138 131 111 133 116 140 123 107 142 182 128 122 141 130 102 109 129 154 160 159 169 161 176 114 168 145 177 163 166 92 71 94 75 180 76 96 74 89 72 88 178 70 179 84 65 80 63 60 81 83 69 66 183 106 175 156 184 164 172 157 171 165 174 158 173 127 98 62 95 105 152 115 149 99 100 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 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 52 53 53 2.370947 1.916256 1.883535 1.960093 1.963559 1.756053 1.729399 1.689741 1.720293 1.719683 2.422034 1.916494 1.946028 2.128812 2.122971 1.801157 2.422681 2.048507 2.033020 2.038063 1.925112 1.799105 2.400337 1.928517 1.814946 2.051689 1.975968 1.761914 2.477303 1.979052 1.881435 1.984623 1.871634 1.754274 2.447087 1.878566 1.989849 2.134262 2.085436 1.811626 2.332411 1.921779 2.040731 1.850976 1.959226 1.755744 2.471837 2.158851 2.017795 2.143019 1.824898 1.822896 2.397269 1.973279 1.994595 1.864644 1.904609 1.755482 2.442906 1.921595 1.891484 1.920192 1.972321 1.756874 2.462166 1.988288 1.935170 1.933587 1.868827 1.755343 3.231850 3.079744 3.237640 3.227900 3.455975 1.006497 3.234026 1.694249 1.866663 0.997552 2.372508 1.916678 1.884037 1.960666 1.964121 1.756063 1.729412 1.689790 1.720318 1.719699 2.424020 1.916721 1.946250 2.129154 2.123265 1.801165 2.424938 2.048739 2.033199 2.038347 1.925385 1.799116 2.401993 1.928931 1.815093 2.052138 1.976503 1.761933 2.479036 1.979452 1.881757 1.985183 1.872030 1.754285 2.448736 1.878710 1.990000 2.134554 2.085720 1.811647 2.334825 1.922274 2.041101 1.851363 1.960314 1.755761 2.474118 2.159049 2.017961 2.143331 1.824949 1.822931 2.399113 1.973725 1.995078 1.865038 1.905062 1.755492 2.444487 1.922021 1.891810 1.920746 1.972819 1.756884 2.463782 1.988788 1.936449 1.934154 1.869215 1.755351 3.296173 3.083018 3.242659 3.230319 3.460187 1.006578 3.241891 1.698022 1.867744 0.997652 28 27 24 28 26 23 23 24 23 22 31 26 27 26 25 26 29 28 27 25 26 29 28 25 25 24 25 22 33 24 25 24 24 24 31 25 26 28 25 25 30 27 26 23 27 21 31 25 26 30 26 24 30 28 28 24 29 21 33 25 26 24 26 23 29 24 26 25 24 21 35 35 35 35 37 19 35 23 26 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As Ta Ta W W Ta W Ta 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 2.4413 2.4611 2.1845 2.2029 2.3806 2.4325 2.1411 2.4345 2.0388 2.4239 2.4372 2.4112 -1.1197 -1.0053 -1.1021 -1.1080 -0.9702 -0.9840 -1.0036 -0.9745 -0.7944 -0.9781 -1.0303 -0.9691 -1.0311 -0.9664 -0.9804 -0.9226 -0.9989 -0.9791 -0.9930 -0.9773 -0.9957 -0.9852 -1.0013 -0.9842 -0.8353 -1.0427 -0.9996 -0.9880 -0.8485 -0.8485 -0.9607 -0.9546 -0.8644 -0.8488 -0.9852 -0.8447 -1.0089 -0.8495 -0.8565 0.2856 0.3156 2.0954 0.8534 2.1175 2.1080 2.1172 2.1055 2.1259 2.1217 2.1528 2.1087 2.0984 2.1128 1.9330 1.9526 1.9363 1.9341 1.9288 1.9279 1.9270 1.9289 1.8740 1.9294 1.9225 1.9293 1.9227 1.9304 1.9293 1.9533 1.9371 1.9403 1.9364 1.9399 1.9368 1.9397 1.9359 1.9309 1.8737 1.9296 1.9365 1.9389 1.9560 1.9551 1.9389 1.9389 1.9532 1.9573 1.9353 1.9559 1.9307 1.9562 1.9551 0.5522 0.5437 6.0935 1.1407 6.0864 6.0763 6.1113 6.0987 6.0897 6.0980 6.1050 6.0970 6.0951 6.1078 5.1501 5.0163 5.1312 5.1388 5.0123 5.0273 5.0524 5.0168 4.8895 5.0220 5.0831 5.0111 5.0836 5.0062 5.0232 4.9379 5.0335 5.0088 5.0262 5.0080 5.0289 5.0170 5.0361 5.0305 4.9319 5.0886 5.0336 5.0203 4.8600 4.8609 4.9963 4.9900 4.8797 4.8587 5.0256 4.8565 5.0552 4.8608 4.8690 0.1623 0.1407 3.3398 10.5448 2.5777 2.5784 3.3617 3.3339 2.6092 3.3165 2.6704 3.3409 3.3396 3.3390 0.0366 0.0364 0.0346 0.0351 0.0292 0.0287 0.0242 0.0288 0.0309 0.0268 0.0247 0.0286 0.0249 0.0298 0.0279 0.0314 0.0283 0.0300 0.0305 0.0294 0.0299 0.0285 0.0293 0.0229 0.0297 0.0246 0.0296 0.0288 0.0325 0.0325 0.0255 0.0258 0.0316 0.0328 0.0243 0.0324 0.0231 0.0325 0.0324 0.0000 0.0000 14.0299 0.0000 14.0340 14.0344 14.0292 14.0295 14.0341 14.0293 14.0330 14.0296 14.0298 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 Ta W W Ta W Ta 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 2.501934 2.307281 2.351471 2.360220 2.480517 2.498349 2.333302 2.517953 2.326855 2.499037 2.498050 2.498752 -1.093801 -1.023070 -1.093771 -1.099912 -0.985853 -0.991638 -1.066981 -0.991921 -0.657656 -1.007668 -1.061249 -0.990244 -1.063876 -0.981141 -1.001841 -0.808849 -0.999775 -0.981234 -0.988484 -0.992474 -0.991504 -0.987642 -1.005473 -1.077026 -0.652594 -1.065654 -0.993668 -0.995353 -0.897119 -0.902063 -1.052043 -1.044543 -0.921047 -0.895587 -1.088497 -0.890932 -1.119409 -0.897661 -0.906766 0.037865 0.054430 1.917300 1.732772 1.840264 1.844887 1.898902 1.932013 1.818881 1.957061 1.842098 1.933667 1.920893 1.942081 -0.714420 -0.682673 -0.720666 -0.724245 -0.727318 -0.752740 -0.823790 -0.743578 -0.808155 -0.770715 -0.819532 -0.748130 -0.832679 -0.736604 -0.770960 -0.687714 -0.842186 -0.821717 -0.810165 -0.848309 -0.825312 -0.822093 -0.850432 -1.027214 -0.853933 -0.920916 -0.824590 -0.844897 -0.817497 -0.809747 -0.997499 -0.986221 -0.843119 -0.813481 -1.037928 -0.797125 -1.076939 -0.814384 -0.827834 0.289186 0.307455 2.029014 1.670007 1.957928 1.961476 2.005968 2.041978 1.936828 2.054941 1.949304 2.040737 2.035406 2.046611 -0.779304 -0.755152 -0.793506 -0.798808 -0.822671 -0.841272 -0.904201 -0.824859 -0.832899 -0.851675 -0.917028 -0.823492 -0.915420 -0.841079 -0.852015 -0.793375 -0.877392 -0.836390 -0.851334 -0.872180 -0.860786 -0.856968 -0.873268 -1.020013 -0.855946 -0.957405 -0.870029 -0.871866 -0.780615 -0.790187 -0.971387 -0.961248 -0.809870 -0.778947 -1.012961 -0.776506 -1.071900 -0.781315 -0.793561 0.363536 0.385095 14.88920598 -14.25861550 8.13203258 22.16137461 -12.53504456 22.32905151 -46.19992621 19.76363873 15.75888700 -7.22859416 -367.7995 417.4651 2.5670 -426.2653 -96.4653 -470.4980 Jun19-2024 22:16:40 Nodes: 1 Procs: 1 Jun19-2024 22:16:42 Nodes: 1 Procs: 1 0 Jun19-2024 22:16:44 Nodes: 1 Procs: 1 Jun19-2024 22:16:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:16:50 Nodes: 1 Procs: 1 Jun19-2024 22:16:52 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:16:56 Nodes: 1 Procs: 1 Jun19-2024 22:16:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:17:00 Nodes: 1 Procs: 1 Jun19-2024 22:17:03 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 22:17:08 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -16.80016499 -17.12612274 -17.10094967 -17.02595338 -17.16318176 -17.23781171 -17.25890111 -17.26420276 -17.27285327 -17.27340005 -17.28155035 -17.28336470 -17.28849214 -17.28930879 -17.28970899 -17.28989746 -17.29018239 -17.29030536 -17.29041028 -17.29044798 -17.29048290 GEOMETRY CONVERGED