ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:11:33 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 1.74 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 22:11:33 Nodes: 1 Procs: 1 Jun19-2024 22:11:36 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:11:38 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.47 0.08 2.13 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 22:11:33 Nodes: 1 Procs: 1 Jun19-2024 22:11:36 Nodes: 1 Procs: 1 0 Jun19-2024 22:11:38 Nodes: 1 Procs: 1 Jun19-2024 22:11:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:11:44 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.70 0.06 3.54 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 22:11:33 Nodes: 1 Procs: 1 Jun19-2024 22:11:36 Nodes: 1 Procs: 1 0 Jun19-2024 22:11:38 Nodes: 1 Procs: 1 Jun19-2024 22:11:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:11:44 Nodes: 1 Procs: 1 Jun19-2024 22:11:47 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:11:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.98 0.06 1.86 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 22:11:33 Nodes: 1 Procs: 1 Jun19-2024 22:11:36 Nodes: 1 Procs: 1 0 Jun19-2024 22:11:38 Nodes: 1 Procs: 1 Jun19-2024 22:11:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:11:44 Nodes: 1 Procs: 1 Jun19-2024 22:11:47 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:11:52 Nodes: 1 Procs: 1 Jun19-2024 22:11:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:11:56 Hydrogen (TZP) c3-7 c3-7 c3-7 c3-7 c3-7 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.59 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 22:11:33 Nodes: 1 Procs: 1 Jun19-2024 22:11:36 Nodes: 1 Procs: 1 0 Jun19-2024 22:11:38 Nodes: 1 Procs: 1 Jun19-2024 22:11:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:11:44 Nodes: 1 Procs: 1 Jun19-2024 22:11:47 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:11:52 Nodes: 1 Procs: 1 Jun19-2024 22:11:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:11:56 Nodes: 1 Procs: 1 Jun19-2024 22:11:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:12:05 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 22:11:59 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun19-2024 22:11:41 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun19-2024 22:11:47 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun19-2024 22:11:54 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 22:11:36 1 1 Hydrogen TZP 1 1 -16.78792938 0.25064352 0.00100000 F 0.09186306 0.00066667 F 0.25064352 0.09186306 0.28125812 0.01000000 F 0.06980215 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 -5.321 -5.300 -5.240 -5.186 -5.125 -5.038 -4.944 -4.907 -4.830 -4.259 -1.849 -1.735 -1.593 -1.496 -1.438 -1.263 -1.239 -1.197 -1.186 -1.092 A A A A A A A A A A A A A A A A A A A A 0.00000000061447 0.00041693915441 0.00031035752693 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 0.102444 -2.584913 2.530884 0.067661 2.533505 -2.546313 -0.086604 2.599750 2.536997 2.606830 2.548699 -0.128739 -2.645664 -2.502404 -0.111890 -2.528948 0.149257 2.606812 2.546910 0.027295 -2.640253 -0.087029 -0.068356 -0.047072 2.590311 -2.569169 0.098123 -2.622128 2.509662 0.069275 -2.602175 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3.815683 0.214979 -3.862805 3.797283 -0.201930 -3.882000 -3.669955 0.325918 -4.022828 0.374540 -3.728139 -3.704884 -0.240273 3.849707 3.757018 0.217765 3.875767 1.100111 -2.413374 -2.005552 -0.610597 -3.425523 -1.229520 1 3 -3 0.102444 -2.584913 2.530884 Rho 0.4361415E+07 3,-3 2 3 -3 0.067661 2.533505 -2.546313 Rho 0.4361414E+07 3,-3 3 3 -3 -0.086604 2.599750 2.536997 Rho 0.4361415E+07 3,-3 4 3 -3 2.606830 2.548699 -0.128739 Rho 0.4361415E+07 3,-3 5 3 -3 -2.645664 -2.502404 -0.111890 Rho 0.4361415E+07 3,-3 6 3 -3 -2.528948 0.149257 2.606812 Rho 0.4361414E+07 3,-3 7 3 -3 2.546910 0.027295 -2.640253 Rho 0.4361415E+07 3,-3 8 3 -3 -0.087029 -0.068356 -0.047072 Rho 0.4276089E+05 3,-3 9 3 -3 2.590311 -2.569169 0.098123 Rho 0.3882647E+07 3,-3 10 3 -3 -2.622128 2.509662 0.069275 Rho 0.3882646E+07 3,-3 11 3 -3 -2.602175 -0.210881 -2.753561 Rho 0.3882646E+07 3,-3 12 3 -3 2.552801 -0.119999 2.585371 Rho 0.3882647E+07 3,-3 13 3 -3 0.942666 -1.009877 0.953721 Rho 0.3189851E+03 3,-3 14 3 -3 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3,-3 31 3 -3 3.462679 1.575103 -1.461906 Rho 0.3189861E+03 3,-3 32 3 -3 -3.474244 1.490029 1.637862 Rho 0.3189133E+03 3,-3 33 3 -3 1.457294 -1.591520 3.459277 Rho 0.3189037E+03 3,-3 34 3 -3 1.575308 1.567623 -3.387099 Rho 0.3188992E+03 3,-3 35 3 -3 -1.513807 1.525277 3.480182 Rho 0.3189222E+03 3,-3 36 3 -3 -1.881043 -1.440139 -3.884738 Rho 0.3190725E+03 3,-3 37 3 -3 -1.584115 -3.680106 -1.254267 Rho 0.3186998E+03 3,-3 38 3 -3 -1.501142 3.435789 1.598928 Rho 0.3189405E+03 3,-3 39 3 -3 1.450671 -3.495435 1.512800 Rho 0.3188966E+03 3,-3 40 3 -3 1.508956 3.417035 -1.458274 Rho 0.3189172E+03 3,-3 41 3 -3 -0.287650 -3.795607 3.742823 Rho 0.3192252E+03 3,-3 42 3 -3 3.893873 -0.086592 -3.775817 Rho 0.3191896E+03 3,-3 43 3 -3 -0.149792 3.790597 -3.755586 Rho 0.3192209E+03 3,-3 44 3 -3 0.245224 3.792819 3.785288 Rho 0.3192158E+03 3,-3 45 3 -3 3.831858 -3.835058 -0.200036 Rho 0.3190935E+03 3,-3 46 3 -3 3.772746 3.815683 0.214979 Rho 0.3192250E+03 3,-3 47 3 -3 -3.862805 3.797283 -0.201930 Rho 0.3190701E+03 3,-3 48 3 -3 -3.882000 -3.669955 0.325918 Rho 0.3192348E+03 3,-3 49 3 -3 -4.022828 0.374540 -3.728139 Rho 0.3190387E+03 3,-3 50 3 -3 -3.704884 -0.240273 3.849707 Rho 0.3192353E+03 3,-3 51 3 -3 3.757018 0.217765 3.875767 Rho 0.3190984E+03 3,-3 52 3 -3 1.100111 -2.413374 -2.005552 Rho 0.4431703E+00 3,-3 53 3 -3 -0.610597 -3.425523 -1.229520 Rho 0.4300073E+00 3,-3 54 3 +3 0.942106 -1.144916 -1.339893 Rho 0.4164032E-02 |GRAD(Rho)| 0.1713538E-14 GRAD(Rho)x 0.8761195E-15 GRAD(Rho)y 0.3517215E-16 GRAD(Rho)z 0.1472205E-14 Laplacian 0.1576079E-01 (-1/4)Del**2(Rho)) -0.3940197E-02 Diamond 0.1169581E-03 Metallicity 0.4712218E+00 Ellipticity -0.7186293E+00 Gb(Abramov) 0.2936249E-02 Vb(Abramov) -0.1932301E-02 Hb(Abramov) 0.1003948E-02 Ex_ueg -0.4947705E-03 Ec_ueg -0.1111170E-03 Delta_ex -0.5547613E-03 Delta_ec 0.1355606E-03 Delta_et -0.8449695E-03 Pxc 0.4452699E+01 Qxc -0.4092350E+01 3,+3 55 3 +1 -1.715709 0.530089 -0.528030 Rho 0.9214036E-02 |GRAD(Rho)| 0.1974576E-13 GRAD(Rho)x -0.1756298E-13 GRAD(Rho)y -0.3593301E-14 GRAD(Rho)z -0.8277981E-14 Laplacian 0.3366735E-01 (-1/4)Del**2(Rho)) -0.8416837E-02 Diamond 0.9906925E-03 Metallicity 0.8288719E+00 Ellipticity -0.1563909E+01 Gb(Abramov) 0.6773971E-02 Vb(Abramov) -0.5131105E-02 Hb(Abramov) 0.1642866E-02 Ex_ueg -0.1426653E-02 Ec_ueg -0.3325368E-03 Delta_ex -0.1565588E-02 Delta_ec 0.4743949E-03 Delta_et -0.3299835E-02 Pxc 0.4290210E+01 Qxc -0.3300178E+01 3,+1 56 3 +1 -0.655621 0.490472 -1.722698 Rho 0.7829575E-02 |GRAD(Rho)| 0.1218392E-16 GRAD(Rho)x -0.2471452E-17 GRAD(Rho)y -0.9998939E-17 GRAD(Rho)z 0.6508542E-17 Laplacian 0.2967408E-01 (-1/4)Del**2(Rho)) -0.7418520E-02 Diamond 0.7351031E-03 Metallicity 0.7169125E+00 Ellipticity -0.1499360E+01 Gb(Abramov) 0.5832085E-02 Vb(Abramov) -0.4245650E-02 Hb(Abramov) 0.1586435E-02 Ex_ueg -0.1148249E-02 Ec_ueg -0.2706421E-03 Delta_ex -0.1342458E-02 Delta_ec 0.4506355E-03 Delta_et -0.2978813E-02 Pxc 0.4242683E+01 Qxc -0.2979034E+01 3,+1 57 3 -1 -1.832607 -1.722002 -0.540594 Rho 0.5628742E-01 |GRAD(Rho)| 0.8362885E-12 GRAD(Rho)x 0.7672553E-12 GRAD(Rho)y 0.8985523E-13 GRAD(Rho)z 0.3203496E-12 Laplacian 0.2244311E+00 (-1/4)Del**2(Rho)) -0.5610777E-01 Diamond 0.1336370E+00 Metallicity 0.2538336E+01 Ellipticity 0.2217200E-01 Gb(Abramov) 0.6114190E-01 Vb(Abramov) -0.6617604E-01 Hb(Abramov) -0.5034136E-02 Ex_ueg -0.1593187E-01 Ec_ueg -0.2765257E-02 Delta_ex -0.1903478E-01 Delta_ec 0.6680441E-02 Delta_et -0.7263463E-01 Pxc 0.5761443E+01 Qxc -0.2849330E+01 3,-1 58 3 -1 -3.071324 -0.962380 -2.104945 Rho 0.9525418E-01 |GRAD(Rho)| 0.4951698E-15 GRAD(Rho)x -0.4571335E-15 GRAD(Rho)y -0.8035971E-16 GRAD(Rho)z 0.1725237E-15 Laplacian 0.3934354E+00 (-1/4)Del**2(Rho)) -0.9835885E-01 Diamond 0.4833926E+00 Metallicity 0.3479738E+01 Ellipticity 0.1219664E-01 Gb(Abramov) 0.1226164E+00 Vb(Abramov) -0.1468739E+00 Hb(Abramov) -0.2425755E-01 Ex_ueg -0.3212899E-01 Ec_ueg -0.5038475E-02 Delta_ex -0.3831179E-01 Delta_ec 0.1180372E-01 Delta_et -0.1460007E+00 Pxc 0.6376730E+01 Qxc -0.3245738E+01 3,-1 59 3 +3 -1.153925 -1.095408 1.156314 Rho 0.5512578E-02 |GRAD(Rho)| 0.1287126E-15 GRAD(Rho)x 0.6767250E-16 GRAD(Rho)y -0.8211624E-16 GRAD(Rho)z 0.7241744E-16 Laplacian 0.2167411E-01 (-1/4)Del**2(Rho)) -0.5418528E-02 Diamond 0.1695518E-03 Metallicity 0.5469275E+00 Ellipticity -0.6747923E-01 Gb(Abramov) 0.4106276E-02 Vb(Abramov) -0.2794023E-02 Hb(Abramov) 0.1312252E-02 Ex_ueg -0.7192139E-03 Ec_ueg -0.1690374E-03 Delta_ex -0.7666237E-03 Delta_ec 0.9041156E-04 Delta_et -0.7421117E-03 Pxc 0.4254762E+01 Qxc -0.8479267E+01 3,+3 60 3 -1 -2.975266 0.069009 0.088114 Rho 0.5964738E-02 |GRAD(Rho)| 0.1345894E-16 GRAD(Rho)x -0.3869210E-18 GRAD(Rho)y -0.6573881E-17 GRAD(Rho)z 0.1173787E-16 Laplacian 0.2291867E-01 (-1/4)Del**2(Rho)) -0.5729666E-02 Diamond 0.7475059E-03 Metallicity 0.5898517E+00 Ellipticity 0.2024649E+01 Gb(Abramov) 0.4383053E-02 Vb(Abramov) -0.3036440E-02 Hb(Abramov) 0.1346613E-02 Ex_ueg -0.7989267E-03 Ec_ueg -0.1886628E-03 Delta_ex -0.1230780E-02 Delta_ec 0.8132785E-03 Delta_et -0.4620505E-02 Pxc 0.4234681E+01 Qxc -0.1513356E+01 3,-1 61 3 +1 -2.942018 -0.282484 -0.286549 Rho 0.5593697E-02 |GRAD(Rho)| 0.3012542E-15 GRAD(Rho)x -0.2752050E-16 GRAD(Rho)y -0.2412739E-15 GRAD(Rho)z -0.1782796E-15 Laplacian 0.2236627E-01 (-1/4)Del**2(Rho)) -0.5591567E-02 Diamond 0.4368313E-03 Metallicity 0.5430642E+00 Ellipticity -0.1475766E+01 Gb(Abramov) 0.4233808E-02 Vb(Abramov) -0.2876049E-02 Hb(Abramov) 0.1357759E-02 Ex_ueg -0.7333596E-03 Ec_ueg -0.1725508E-03 Delta_ex -0.1000891E-02 Delta_ec 0.4620496E-03 Delta_et -0.2691779E-02 Pxc 0.4250108E+01 Qxc -0.2166197E+01 3,+1 62 3 -1 -1.722952 0.550521 1.761795 Rho 0.4839199E-01 |GRAD(Rho)| 0.1893440E-15 GRAD(Rho)x -0.4972549E-16 GRAD(Rho)y -0.6677754E-16 GRAD(Rho)z 0.1700567E-15 Laplacian 0.1926079E+00 (-1/4)Del**2(Rho)) -0.4815197E-01 Diamond 0.9234923E-01 Metallicity 0.2299120E+01 Ellipticity 0.1690044E-01 Gb(Abramov) 0.5055250E-01 Vb(Abramov) -0.5295304E-01 Hb(Abramov) -0.2400534E-02 Ex_ueg -0.1302416E-01 Ec_ueg -0.2326184E-02 Delta_ex -0.1567718E-01 Delta_ec 0.5656349E-02 Delta_et -0.5911527E-01 Pxc 0.5598939E+01 Qxc -0.2771609E+01 3,-1 63 3 -1 -1.833186 0.544542 -2.923171 Rho 0.9692567E-01 |GRAD(Rho)| 0.9591728E-15 GRAD(Rho)x 0.7510743E-15 GRAD(Rho)y 0.4969847E-15 GRAD(Rho)z -0.3300091E-15 Laplacian 0.4230730E+00 (-1/4)Del**2(Rho)) -0.1057682E+00 Diamond 0.5313606E+00 Metallicity 0.3331163E+01 Ellipticity 0.1223826E-01 Gb(Abramov) 0.1292340E+00 Vb(Abramov) -0.1526998E+00 Hb(Abramov) -0.2346580E-01 Ex_ueg -0.3288290E-01 Ec_ueg -0.5139199E-02 Delta_ex -0.4137077E-01 Delta_ec 0.1266273E-01 Delta_et -0.1572237E+00 Pxc 0.6398449E+01 Qxc -0.3267128E+01 3,-1 64 3 +1 2.168148 -1.134007 1.347584 Rho 0.2495259E-01 |GRAD(Rho)| 0.8927392E-16 GRAD(Rho)x 0.8656175E-16 GRAD(Rho)y 0.2923345E-17 GRAD(Rho)z 0.2164141E-16 Laplacian 0.9259637E-01 (-1/4)Del**2(Rho)) -0.2314909E-01 Diamond 0.1233177E-01 Metallicity 0.1585667E+01 Ellipticity -0.5974384E+01 Gb(Abramov) 0.2155052E-01 Vb(Abramov) -0.1995195E-01 Hb(Abramov) 0.1598573E-02 Ex_ueg -0.5385251E-02 Ec_ueg -0.1086327E-02 Delta_ex -0.5783599E-02 Delta_ec 0.1620434E-02 Delta_et -0.1428577E-01 Pxc 0.4957299E+01 Qxc -0.3569167E+01 3,+1 65 3 -1 -3.364779 0.102716 -3.275917 Rho 0.1969312E+00 |GRAD(Rho)| 0.1924795E-13 GRAD(Rho)x 0.1545953E-13 GRAD(Rho)y -0.5063631E-14 GRAD(Rho)z 0.1028816E-13 Laplacian 0.7406826E+00 (-1/4)Del**2(Rho)) -0.1851707E+00 Diamond 0.2080908E+01 Metallicity 0.6201621E+01 Ellipticity 0.2677483E-01 Gb(Abramov) 0.3148401E+00 Vb(Abramov) -0.4445096E+00 Hb(Abramov) -0.1296695E+00 Ex_ueg -0.8461963E-01 Ec_ueg -0.1151291E-01 Delta_ex -0.8514463E-01 Delta_ec 0.1750412E-01 Delta_et -0.2403189E+00 Pxc 0.7349974E+01 Qxc -0.4864262E+01 3,-1 66 3 +1 -1.464290 2.184865 1.036454 Rho 0.2559466E-01 |GRAD(Rho)| 0.4542534E-16 GRAD(Rho)x 0.1948022E-16 GRAD(Rho)y -0.4043057E-16 GRAD(Rho)z 0.7025056E-17 Laplacian 0.9672546E-01 (-1/4)Del**2(Rho)) -0.2418137E-01 Diamond 0.1112642E-01 Metallicity 0.1583633E+01 Ellipticity -0.2329639E+01 Gb(Abramov) 0.2250331E-01 Vb(Abramov) -0.2082526E-01 Hb(Abramov) 0.1678053E-02 Ex_ueg -0.5570799E-02 Ec_ueg -0.1118701E-02 Delta_ex -0.5849492E-02 Delta_ec 0.1276727E-02 Delta_et -0.1141322E-01 Pxc 0.4979705E+01 Qxc -0.4581630E+01 3,+1 67 3 +1 -2.969888 0.198772 0.224627 Rho 0.5938355E-02 |GRAD(Rho)| 0.2539582E-15 GRAD(Rho)x 0.3301925E-16 GRAD(Rho)y 0.2506472E-15 GRAD(Rho)z -0.2409321E-16 Laplacian 0.2341748E-01 (-1/4)Del**2(Rho)) -0.5854370E-02 Diamond 0.6243594E-03 Metallicity 0.5730378E+00 Ellipticity -0.2941361E+01 Gb(Abramov) 0.4462042E-02 Vb(Abramov) -0.3069715E-02 Hb(Abramov) 0.1392327E-02 Ex_ueg -0.7942183E-03 Ec_ueg -0.1875149E-03 Delta_ex -0.1156935E-02 Delta_ec 0.6531962E-03 Delta_et -0.3768371E-02 Pxc 0.4235495E+01 Qxc -0.1771190E+01 3,+1 68 3 -1 -3.163638 -0.060118 3.277569 Rho 0.2327176E+00 |GRAD(Rho)| 0.5289486E-12 GRAD(Rho)x 0.3629211E-12 GRAD(Rho)y 0.1090620E-12 GRAD(Rho)z -0.3690263E-12 Laplacian 0.8612740E+00 (-1/4)Del**2(Rho)) -0.2153185E+00 Diamond 0.2930611E+01 Metallicity 0.7044562E+01 Ellipticity 0.3983614E-02 Gb(Abramov) 0.3963497E+00 Vb(Abramov) -0.5773810E+00 Hb(Abramov) -0.1810312E+00 Ex_ueg -0.1057201E+00 Ec_ueg -0.1393716E-01 Delta_ex -0.1032014E+00 Delta_ec 0.1915425E-01 Delta_et -0.2648155E+00 Pxc 0.7585483E+01 Qxc -0.5387909E+01 3,-1 69 3 -1 -2.838200 0.505829 -1.898794 Rho 0.8029693E-01 |GRAD(Rho)| 0.1929841E-15 GRAD(Rho)x 0.1872028E-16 GRAD(Rho)y -0.1051642E-15 GRAD(Rho)z -0.1607262E-15 Laplacian 0.3509469E+00 (-1/4)Del**2(Rho)) -0.8773672E-01 Diamond 0.3456438E+00 Metallicity 0.2934517E+01 Ellipticity 0.9828489E-02 Gb(Abramov) 0.1014020E+00 Vb(Abramov) -0.1150672E+00 Hb(Abramov) -0.1366525E-01 Ex_ueg -0.2558490E-01 Ec_ueg -0.4147880E-02 Delta_ex -0.3277066E-01 Delta_ec 0.1070007E-01 Delta_et -0.1272608E+00 Pxc 0.6168186E+01 Qxc -0.3062658E+01 3,-1 70 3 -1 -3.018853 0.863560 2.077550 Rho 0.1579447E+00 |GRAD(Rho)| 0.4456193E-15 GRAD(Rho)x -0.2919214E-15 GRAD(Rho)y 0.1696234E-15 GRAD(Rho)z -0.2908372E-15 Laplacian 0.6192855E+00 (-1/4)Del**2(Rho)) -0.1548214E+00 Diamond 0.1326162E+01 Metallicity 0.5135279E+01 Ellipticity 0.4422201E-01 Gb(Abramov) 0.2357227E+00 Vb(Abramov) -0.3166241E+00 Hb(Abramov) -0.8090136E-01 Ex_ueg -0.6305581E-01 Ec_ueg -0.8954013E-02 Delta_ex -0.6727308E-01 Delta_ec 0.1536040E-01 Delta_et -0.2055284E+00 Pxc 0.7042184E+01 Qxc -0.4379644E+01 3,-1 71 3 +1 -1.703685 -0.516924 0.576046 Rho 0.9454036E-02 |GRAD(Rho)| 0.4917459E-16 GRAD(Rho)x 0.1517760E-16 GRAD(Rho)y -0.4602103E-16 GRAD(Rho)z -0.8357376E-17 Laplacian 0.3626167E-01 (-1/4)Del**2(Rho)) -0.9065418E-02 Diamond 0.1112899E-02 Metallicity 0.8032685E+00 Ellipticity -0.1518365E+01 Gb(Abramov) 0.7257272E-02 Vb(Abramov) -0.5449127E-02 Hb(Abramov) 0.1808145E-02 Ex_ueg -0.1476414E-02 Ec_ueg -0.3433522E-03 Delta_ex -0.1700403E-02 Delta_ec 0.5164561E-03 Delta_et -0.3611786E-02 Pxc 0.4299998E+01 Qxc -0.3292444E+01 3,+1 72 3 -1 -3.312484 -3.132687 0.123050 Rho 0.2317533E+00 |GRAD(Rho)| 0.9565881E-15 GRAD(Rho)x 0.5302291E-15 GRAD(Rho)y 0.7270118E-15 GRAD(Rho)z -0.3246101E-15 Laplacian 0.8727952E+00 (-1/4)Del**2(Rho)) -0.2181988E+00 Diamond 0.2945738E+01 Metallicity 0.6903627E+01 Ellipticity 0.4016667E-02 Gb(Abramov) 0.3965264E+00 Vb(Abramov) -0.5748540E+00 Hb(Abramov) -0.1783276E+00 Ex_ueg -0.1051364E+00 Ec_ueg -0.1387091E-01 Delta_ex -0.1044172E+00 Delta_ec 0.1934171E-01 Delta_et -0.2669700E+00 Pxc 0.7579632E+01 Qxc -0.5398549E+01 3,-1 73 3 +1 0.224525 -0.229620 2.981499 Rho 0.5876463E-02 |GRAD(Rho)| 0.1006068E-13 GRAD(Rho)x 0.2174421E-14 GRAD(Rho)y -0.9475050E-14 GRAD(Rho)z 0.2590860E-14 Laplacian 0.2387408E-01 (-1/4)Del**2(Rho)) -0.5968519E-02 Diamond 0.5689217E-03 Metallicity 0.5523487E+00 Ellipticity -0.1871903E+01 Gb(Abramov) 0.4528463E-02 Vb(Abramov) -0.3088408E-02 Hb(Abramov) 0.1440056E-02 Ex_ueg -0.7832008E-03 Ec_ueg -0.1848234E-03 Delta_ex -0.1133012E-02 Delta_ec 0.5874820E-03 Delta_et -0.3413836E-02 Pxc 0.4237562E+01 Qxc -0.1928590E+01 3,+1 74 3 -1 -3.094731 -2.035929 -0.875510 Rho 0.1699210E+00 |GRAD(Rho)| 0.2753639E-13 GRAD(Rho)x -0.2622762E-13 GRAD(Rho)y -0.9025034E-15 GRAD(Rho)z -0.8339683E-14 Laplacian 0.6680024E+00 (-1/4)Del**2(Rho)) -0.1670006E+00 Diamond 0.1560916E+01 Metallicity 0.5377495E+01 Ellipticity 0.7224688E-01 Gb(Abramov) 0.2610079E+00 Vb(Abramov) -0.3550152E+00 Hb(Abramov) -0.9400729E-01 Ex_ueg -0.6951006E-01 Ec_ueg -0.9730711E-02 Delta_ex -0.7389187E-01 Delta_ec 0.1624898E-01 Delta_et -0.2193091E+00 Pxc 0.7143369E+01 Qxc -0.4547478E+01 3,-1 75 3 -1 -2.847045 1.779857 -0.575859 Rho 0.1695825E+00 |GRAD(Rho)| 0.4464822E-15 GRAD(Rho)x 0.9695478E-16 GRAD(Rho)y 0.3490589E-15 GRAD(Rho)z 0.2609675E-15 Laplacian 0.6970384E+00 (-1/4)Del**2(Rho)) -0.1742596E+00 Diamond 0.1640751E+01 Metallicity 0.5136394E+01 Ellipticity 0.1281859E-01 Gb(Abramov) 0.2653507E+00 Vb(Abramov) -0.3564418E+00 Hb(Abramov) -0.9109111E-01 Ex_ueg -0.6932553E-01 Ec_ueg -0.9708646E-02 Delta_ex -0.7719957E-01 Delta_ec 0.1720387E-01 Delta_et -0.2328105E+00 Pxc 0.7140596E+01 Qxc -0.4487337E+01 3,-1 76 3 -1 -3.059080 1.966379 0.897390 Rho 0.1056540E+00 |GRAD(Rho)| 0.5627970E-14 GRAD(Rho)x -0.4844256E-14 GRAD(Rho)y 0.2781900E-14 GRAD(Rho)z -0.6842942E-15 Laplacian 0.4343968E+00 (-1/4)Del**2(Rho)) -0.1085992E+00 Diamond 0.5988850E+00 Metallicity 0.3745730E+01 Ellipticity 0.1010932E-01 Gb(Abramov) 0.1401967E+00 Vb(Abramov) -0.1717942E+00 Hb(Abramov) -0.3159747E-01 Ex_ueg -0.3688923E-01 Ec_ueg -0.5668806E-02 Delta_ex -0.4322369E-01 Delta_ec 0.1257808E-01 Delta_et -0.1587516E+00 Pxc 0.6507409E+01 Qxc -0.3436429E+01 3,-1 77 3 +1 -2.011285 2.006381 2.019376 Rho 0.1195118E-01 |GRAD(Rho)| 0.2342510E-12 GRAD(Rho)x 0.7154938E-13 GRAD(Rho)y 0.2090666E-12 GRAD(Rho)z -0.7775182E-13 Laplacian 0.5368493E-01 (-1/4)Del**2(Rho)) -0.1342123E-01 Diamond 0.1534427E-02 Metallicity 0.8018846E+00 Ellipticity -0.1043700E+01 Gb(Abramov) 0.1074120E-01 Vb(Abramov) -0.8061171E-02 Hb(Abramov) 0.2680031E-02 Ex_ueg -0.2018053E-02 Ec_ueg -0.4573156E-03 Delta_ex -0.2460306E-02 Delta_ec 0.3831161E-03 Delta_et -0.3111471E-02 Pxc 0.4412824E+01 Qxc -0.6421828E+01 3,+1 78 3 +1 0.383097 -0.926240 -1.893556 Rho 0.4827425E-02 |GRAD(Rho)| 0.2121343E-16 GRAD(Rho)x 0.8914492E-17 GRAD(Rho)y 0.1567414E-16 GRAD(Rho)z 0.1117419E-16 Laplacian 0.1832203E-01 (-1/4)Del**2(Rho)) -0.4580507E-02 Diamond 0.3775259E-03 Metallicity 0.5185997E+00 Ellipticity -0.3058307E+01 Gb(Abramov) 0.3449579E-02 Vb(Abramov) -0.2318652E-02 Hb(Abramov) 0.1130927E-02 Ex_ueg -0.6025676E-03 Ec_ueg -0.1394938E-03 Delta_ex -0.8755841E-03 Delta_ec 0.5247536E-03 Delta_et -0.2841119E-02 Pxc 0.4319674E+01 Qxc -0.1668562E+01 3,+1 79 3 +3 0.023928 2.301866 -0.006919 Rho 0.4242594E-02 |GRAD(Rho)| 0.9800187E-14 GRAD(Rho)x 0.4889037E-14 GRAD(Rho)y -0.7073752E-14 GRAD(Rho)z -0.4701383E-14 Laplacian 0.1719509E-01 (-1/4)Del**2(Rho)) -0.4298772E-02 Diamond 0.1264395E-03 Metallicity 0.4455823E+00 Ellipticity -0.2690520E+00 Gb(Abramov) 0.3185091E-02 Vb(Abramov) -0.2071410E-02 Hb(Abramov) 0.1113681E-02 Ex_ueg -0.5072558E-03 Ec_ueg -0.1144656E-03 Delta_ex -0.6030191E-03 Delta_ec 0.1387351E-03 Delta_et -0.8823560E-03 Pxc 0.4431514E+01 Qxc -0.4346550E+01 3,+3 80 3 +1 -2.215278 1.408547 1.079527 Rho 0.2532814E-01 |GRAD(Rho)| 0.8422964E-16 GRAD(Rho)x 0.7777664E-16 GRAD(Rho)y -0.2232548E-16 GRAD(Rho)z -0.2338802E-16 Laplacian 0.9573709E-01 (-1/4)Del**2(Rho)) -0.2393427E-01 Diamond 0.1101057E-01 Metallicity 0.1572311E+01 Ellipticity -0.2402766E+01 Gb(Abramov) 0.2222820E-01 Vb(Abramov) -0.2052213E-01 Hb(Abramov) 0.1706070E-02 Ex_ueg -0.5493589E-02 Ec_ueg -0.1105250E-02 Delta_ex -0.5789652E-02 Delta_ec 0.1293463E-02 Delta_et -0.1152780E-01 Pxc 0.4970450E+01 Qxc -0.4476087E+01 3,+1 81 3 -1 -2.213904 -0.870693 -3.358986 Rho 0.1961996E+00 |GRAD(Rho)| 0.3780133E-15 GRAD(Rho)x -0.1201567E-15 GRAD(Rho)y -0.3263449E-16 GRAD(Rho)z -0.3569194E-15 Laplacian 0.7793460E+00 (-1/4)Del**2(Rho)) -0.1948365E+00 Diamond 0.2145564E+01 Metallicity 0.5857511E+01 Ellipticity 0.1956753E-01 Gb(Abramov) 0.3201005E+00 Vb(Abramov) -0.4453645E+00 Hb(Abramov) -0.1252640E+00 Ex_ueg -0.8420074E-01 Ec_ueg -0.1146410E-01 Delta_ex -0.8926620E-01 Delta_ec 0.1801129E-01 Delta_et -0.2457753E+00 Pxc 0.7344734E+01 Qxc -0.4956126E+01 3,-1 82 3 +1 0.512779 0.475513 1.687671 Rho 0.7990986E-02 |GRAD(Rho)| 0.1719321E-16 GRAD(Rho)x 0.1026407E-18 GRAD(Rho)y 0.4718187E-17 GRAD(Rho)z 0.1653284E-16 Laplacian 0.3134392E-01 (-1/4)Del**2(Rho)) -0.7835980E-02 Diamond 0.7516189E-03 Metallicity 0.7021994E+00 Ellipticity -0.1401010E+01 Gb(Abramov) 0.6141057E-02 Vb(Abramov) -0.4446134E-02 Hb(Abramov) 0.1694923E-02 Ex_ueg -0.1179919E-02 Ec_ueg -0.2778141E-03 Delta_ex -0.1401982E-02 Delta_ec 0.4345605E-03 Delta_et -0.2919896E-02 Pxc 0.4247154E+01 Qxc -0.3226207E+01 3,+1 83 3 -1 -2.777778 -0.524460 1.846785 Rho 0.1291864E+00 |GRAD(Rho)| 0.1096142E-15 GRAD(Rho)x -0.7958722E-17 GRAD(Rho)y -0.1490778E-17 GRAD(Rho)z -0.1093147E-15 Laplacian 0.5363843E+00 (-1/4)Del**2(Rho)) -0.1340961E+00 Diamond 0.9085807E+00 Metallicity 0.4241297E+01 Ellipticity 0.8089755E-02 Gb(Abramov) 0.1841876E+00 Vb(Abramov) -0.2342791E+00 Hb(Abramov) -0.5009152E-01 Ex_ueg -0.4823264E-01 Ec_ueg -0.7124780E-02 Delta_ex -0.5554816E-01 Delta_ec 0.1411644E-01 Delta_et -0.1837205E+00 Pxc 0.6769702E+01 Qxc -0.3934998E+01 3,-1 84 3 +1 -0.548505 -0.547612 1.661729 Rho 0.8878109E-02 |GRAD(Rho)| 0.5732680E-17 GRAD(Rho)x -0.5532963E-17 GRAD(Rho)y -0.5969845E-18 GRAD(Rho)z 0.1376065E-17 Laplacian 0.3489442E-01 (-1/4)Del**2(Rho)) -0.8723606E-02 Diamond 0.9607546E-03 Metallicity 0.7517232E+00 Ellipticity -0.1431378E+01 Gb(Abramov) 0.6908693E-02 Vb(Abramov) -0.5093781E-02 Hb(Abramov) 0.1814912E-02 Ex_ueg -0.1357727E-02 Ec_ueg -0.3174406E-03 Delta_ex -0.1600778E-02 Delta_ec 0.4798637E-03 Delta_et -0.3315743E-02 Pxc 0.4277105E+01 Qxc -0.3335901E+01 3,+1 85 3 +1 -2.274889 -1.040101 -1.554339 Rho 0.2535770E-01 |GRAD(Rho)| 0.1084478E-15 GRAD(Rho)x -0.2490349E-16 GRAD(Rho)y -0.6745060E-16 GRAD(Rho)z 0.8118592E-16 Laplacian 0.1009346E+00 (-1/4)Del**2(Rho)) -0.2523366E-01 Diamond 0.1078541E-01 Metallicity 0.1494249E+01 Ellipticity -0.1906832E+01 Gb(Abramov) 0.2310666E-01 Vb(Abramov) -0.2097967E-01 Hb(Abramov) 0.2126993E-02 Ex_ueg -0.5502140E-02 Ec_ueg -0.1106741E-02 Delta_ex -0.6016241E-02 Delta_ec 0.1203544E-02 Delta_et -0.1077380E-01 Pxc 0.4971480E+01 Qxc -0.4998773E+01 3,+1 86 3 +1 -1.121874 1.345637 2.206706 Rho 0.2678748E-01 |GRAD(Rho)| 0.8574770E-16 GRAD(Rho)x 0.7557614E-17 GRAD(Rho)y -0.1575520E-16 GRAD(Rho)z -0.8394834E-16 Laplacian 0.1046759E+00 (-1/4)Del**2(Rho)) -0.2616898E-01 Diamond 0.1484181E-01 Metallicity 0.1578773E+01 Ellipticity -0.3781438E+01 Gb(Abramov) 0.2433179E-01 Vb(Abramov) -0.2249461E-01 Hb(Abramov) 0.1837182E-02 Ex_ueg -0.5919625E-02 Ec_ueg -0.1179125E-02 Delta_ex -0.6610504E-02 Delta_ec 0.1738347E-02 Delta_et -0.1561150E-01 Pxc 0.5020352E+01 Qxc -0.3802752E+01 3,+1 87 3 +1 -0.208643 0.201999 2.973745 Rho 0.6033532E-02 |GRAD(Rho)| 0.1164551E-16 GRAD(Rho)x 0.6854726E-17 GRAD(Rho)y 0.9411519E-17 GRAD(Rho)z 0.2323565E-18 Laplacian 0.2494971E-01 (-1/4)Del**2(Rho)) -0.6237427E-02 Diamond 0.6909513E-03 Metallicity 0.5522899E+00 Ellipticity -0.2576183E+01 Gb(Abramov) 0.4732429E-02 Vb(Abramov) -0.3227432E-02 Hb(Abramov) 0.1504998E-02 Ex_ueg -0.8112360E-03 Ec_ueg -0.1916575E-03 Delta_ex -0.1244877E-02 Delta_ec 0.7105642E-03 Delta_et -0.4112109E-02 Pxc 0.4232738E+01 Qxc -0.1751955E+01 3,+1 88 3 -1 -0.228644 -1.280939 -3.530219 Rho 0.4342270E-02 |GRAD(Rho)| 0.8020278E-17 GRAD(Rho)x -0.7937208E-17 GRAD(Rho)y -0.9009684E-18 GRAD(Rho)z -0.7168308E-18 Laplacian 0.1534063E-01 (-1/4)Del**2(Rho)) -0.3835158E-02 Diamond 0.4288328E-03 Metallicity 0.5191561E+00 Ellipticity 0.1155274E+00 Gb(Abramov) 0.2888613E-02 Vb(Abramov) -0.1942068E-02 Hb(Abramov) 0.9465450E-03 Ex_ueg -0.5232077E-03 Ec_ueg -0.1187187E-03 Delta_ex -0.8913451E-03 Delta_ec 0.7488788E-03 Delta_et -0.3789255E-02 Pxc 0.4407120E+01 Qxc -0.1190240E+01 3,-1 89 3 +3 -2.351292 0.020604 0.032670 Rho 0.5015829E-02 |GRAD(Rho)| 0.1745638E-17 GRAD(Rho)x -0.2504188E-18 GRAD(Rho)y 0.6126218E-18 GRAD(Rho)z -0.1615313E-17 Laplacian 0.2011804E-01 (-1/4)Del**2(Rho)) -0.5029511E-02 Diamond 0.1882608E-03 Metallicity 0.5034218E+00 Ellipticity -0.3790678E+00 Gb(Abramov) 0.3775001E-02 Vb(Abramov) -0.2520492E-02 Hb(Abramov) 0.1254509E-02 Ex_ueg -0.6341258E-03 Ec_ueg -0.1475941E-03 Delta_ex -0.7392816E-03 Delta_ec 0.1664782E-03 Delta_et -0.1093727E-02 Pxc 0.4296418E+01 Qxc -0.4440711E+01 3,+3 90 3 +1 0.335783 -1.276906 -1.891264 Rho 0.4810734E-02 |GRAD(Rho)| 0.3147808E-16 GRAD(Rho)x 0.1346435E-16 GRAD(Rho)y -0.2692345E-16 GRAD(Rho)z 0.9203740E-17 Laplacian 0.1823324E-01 (-1/4)Del**2(Rho)) -0.4558310E-02 Diamond 0.3562799E-03 Metallicity 0.5181253E+00 Ellipticity -0.2362228E+01 Gb(Abramov) 0.3432503E-02 Vb(Abramov) -0.2306695E-02 Hb(Abramov) 0.1125807E-02 Ex_ueg -0.5997913E-03 Ec_ueg -0.1387770E-03 Delta_ex -0.8534684E-03 Delta_ec 0.4913684E-03 Delta_et -0.2671390E-02 Pxc 0.4321979E+01 Qxc -0.1736922E+01 3,+1 91 3 +1 -1.776606 1.759973 -1.788519 Rho 0.1088472E-01 |GRAD(Rho)| 0.2517837E-13 GRAD(Rho)x -0.2158008E-13 GRAD(Rho)y -0.9092986E-14 GRAD(Rho)z 0.9250313E-14 Laplacian 0.4993145E-01 (-1/4)Del**2(Rho)) -0.1248286E-01 Diamond 0.1708209E-02 Metallicity 0.7377928E+00 Ellipticity -0.1292145E+01 Gb(Abramov) 0.9856870E-02 Vb(Abramov) -0.7230877E-02 Hb(Abramov) 0.2625993E-02 Ex_ueg -0.1781591E-02 Ec_ueg -0.4083317E-03 Delta_ex -0.2378352E-02 Delta_ec 0.6233104E-03 Delta_et -0.4583095E-02 Pxc 0.4363098E+01 Qxc -0.3815677E+01 3,+1 92 3 -1 -1.977883 0.882862 3.055269 Rho 0.1517900E+00 |GRAD(Rho)| 0.5967045E-13 GRAD(Rho)x 0.1887469E-13 GRAD(Rho)y -0.5652935E-13 GRAD(Rho)z -0.2956619E-14 Laplacian 0.5921051E+00 (-1/4)Del**2(Rho)) -0.1480263E+00 Diamond 0.1215463E+01 Metallicity 0.5026741E+01 Ellipticity 0.5653860E-01 Gb(Abramov) 0.2226991E+00 Vb(Abramov) -0.2973720E+00 Hb(Abramov) -0.7467286E-01 Ex_ueg -0.5980113E-01 Ec_ueg -0.8558201E-02 Delta_ex -0.6375610E-01 Delta_ec 0.1494979E-01 Delta_et -0.1992694E+00 Pxc 0.6987583E+01 Qxc -0.4264684E+01 3,-1 93 3 +3 -1.145022 1.106343 -1.185240 Rho 0.4995239E-02 |GRAD(Rho)| 0.6959730E-16 GRAD(Rho)x 0.6422814E-16 GRAD(Rho)y -0.2129984E-16 GRAD(Rho)z -0.1627414E-16 Laplacian 0.1835073E-01 (-1/4)Del**2(Rho)) -0.4587683E-02 Diamond 0.1241460E-03 Metallicity 0.5481343E+00 Ellipticity -0.3821688E+00 Gb(Abramov) 0.3477566E-02 Vb(Abramov) -0.2367450E-02 Hb(Abramov) 0.1110117E-02 Ex_ueg -0.6306573E-03 Ec_ueg -0.1467079E-03 Delta_ex -0.6302707E-03 Delta_ec 0.7446869E-04 Delta_et -0.6078511E-03 Pxc 0.4298727E+01 Qxc -0.8463566E+01 3,+3 94 3 +3 -1.982495 1.977737 1.987873 Rho 0.1194953E-01 |GRAD(Rho)| 0.3895513E-16 GRAD(Rho)x 0.2350512E-16 GRAD(Rho)y -0.4321541E-17 GRAD(Rho)z -0.3076257E-16 Laplacian 0.5348411E-01 (-1/4)Del**2(Rho)) -0.1337103E-01 Diamond 0.1411172E-02 Metallicity 0.8047112E+00 Ellipticity -0.9503588E+00 Gb(Abramov) 0.1070732E-01 Vb(Abramov) -0.8043614E-02 Hb(Abramov) 0.2663707E-02 Ex_ueg -0.2017683E-02 Ec_ueg -0.4572398E-03 Delta_ex -0.2416941E-02 Delta_ec 0.3208613E-03 Delta_et -0.2691007E-02 Pxc 0.4412746E+01 Qxc -0.7532666E+01 3,+3 95 3 -1 -1.765135 1.706895 0.517981 Rho 0.4270115E-01 |GRAD(Rho)| 0.5084053E-16 GRAD(Rho)x 0.2907102E-16 GRAD(Rho)y -0.3819314E-16 GRAD(Rho)z 0.1676066E-16 Laplacian 0.1813541E+00 (-1/4)Del**2(Rho)) -0.4533851E-01 Diamond 0.7975341E-01 Metallicity 0.1982220E+01 Ellipticity 0.2034439E-01 Gb(Abramov) 0.4520416E-01 Vb(Abramov) -0.4506980E-01 Hb(Abramov) 0.1343564E-03 Ex_ueg -0.1102312E-01 Ec_ueg -0.2015581E-02 Delta_ex -0.1464580E-01 Delta_ec 0.5938793E-02 Delta_et -0.6015063E-01 Pxc 0.5468953E+01 Qxc -0.2466125E+01 3,-1 96 3 -1 -2.060483 -3.112739 -0.709133 Rho 0.1426363E+00 |GRAD(Rho)| 0.2907451E-13 GRAD(Rho)x -0.2431398E-13 GRAD(Rho)y -0.7345307E-14 GRAD(Rho)z 0.1414934E-13 Laplacian 0.5225354E+00 (-1/4)Del**2(Rho)) -0.1306338E+00 Diamond 0.1022884E+01 Metallicity 0.5135082E+01 Ellipticity 0.1118305E+00 Gb(Abramov) 0.1988918E+00 Vb(Abramov) -0.2671498E+00 Hb(Abramov) -0.6825797E-01 Ex_ueg -0.5504168E-01 Ec_ueg -0.7973808E-02 Delta_ex -0.5570557E-01 Delta_ec 0.1391984E-01 Delta_et -0.1850312E+00 Pxc 0.6902810E+01 Qxc -0.4001883E+01 3,-1 97 3 -1 0.311772 -1.071624 -1.950249 Rho 0.4842123E-02 |GRAD(Rho)| 0.9278681E-17 GRAD(Rho)x -0.5642791E-17 GRAD(Rho)y -0.9670967E-18 GRAD(Rho)z 0.7301887E-17 Laplacian 0.1832478E-01 (-1/4)Del**2(Rho)) -0.4581194E-02 Diamond 0.4301347E-03 Metallicity 0.5211557E+00 Ellipticity 0.1364282E+01 Gb(Abramov) 0.3452048E-02 Vb(Abramov) -0.2322903E-02 Hb(Abramov) 0.1129145E-02 Ex_ueg -0.6050150E-03 Ec_ueg -0.1401250E-03 Delta_ex -0.9256754E-03 Delta_ec 0.6130884E-03 Delta_et -0.3283020E-02 Pxc 0.4317679E+01 Qxc -0.1509856E+01 3,-1 98 3 -1 -1.880160 -2.729785 0.582254 Rho 0.1210349E+00 |GRAD(Rho)| 0.1015738E-13 GRAD(Rho)x -0.8960538E-14 GRAD(Rho)y -0.4721023E-14 GRAD(Rho)z -0.7701224E-15 Laplacian 0.5031329E+00 (-1/4)Del**2(Rho)) -0.1257832E+00 Diamond 0.7918794E+00 Metallicity 0.4056156E+01 Ellipticity 0.1741843E-01 Gb(Abramov) 0.1688882E+00 Vb(Abramov) -0.2119932E+00 Hb(Abramov) -0.4310498E-01 Ex_ueg -0.4421799E-01 Ec_ueg -0.6616023E-02 Delta_ex -0.5134753E-01 Delta_ec 0.1353777E-01 Delta_et -0.1744198E+00 Pxc 0.6683470E+01 Qxc -0.3792910E+01 3,-1 99 3 -1 -1.827787 2.800591 -0.591732 Rho 0.1090911E+00 |GRAD(Rho)| 0.1789500E-13 GRAD(Rho)x -0.8402662E-14 GRAD(Rho)y 0.1514784E-13 GRAD(Rho)z -0.4490996E-14 Laplacian 0.4700233E+00 (-1/4)Del**2(Rho)) -0.1175058E+00 Diamond 0.6750775E+00 Metallicity 0.3651541E+01 Ellipticity 0.1419127E-01 Gb(Abramov) 0.1498501E+00 Vb(Abramov) -0.1821944E+00 Hb(Abramov) -0.3234428E-01 Ex_ueg -0.3849795E-01 Ec_ueg -0.5878976E-02 Delta_ex -0.4714186E-01 Delta_ec 0.1355718E-01 Delta_et -0.1722538E+00 Pxc 0.6548411E+01 Qxc -0.3477260E+01 3,-1 100 3 -1 -2.025368 2.987662 0.873809 Rho 0.9268250E-01 |GRAD(Rho)| 0.1095284E-13 GRAD(Rho)x 0.8814137E-14 GRAD(Rho)y -0.4408271E-14 GRAD(Rho)z 0.4779421E-14 Laplacian 0.3883430E+00 (-1/4)Del**2(Rho)) -0.9708575E-01 Diamond 0.4531688E+00 Metallicity 0.3368169E+01 Ellipticity 0.8918449E-02 Gb(Abramov) 0.1192240E+00 Vb(Abramov) -0.1413623E+00 Hb(Abramov) -0.2213829E-01 Ex_ueg -0.3097767E-01 Ec_ueg -0.4883958E-02 Delta_ex -0.3742154E-01 Delta_ec 0.1143274E-01 Delta_et -0.1402954E+00 Pxc 0.6342738E+01 Qxc -0.3273190E+01 3,-1 101 3 +1 0.113714 -2.946517 0.109102 Rho 0.4580078E-02 |GRAD(Rho)| 0.3016500E-17 GRAD(Rho)x 0.1923546E-17 GRAD(Rho)y -0.1286404E-17 GRAD(Rho)z -0.1935048E-17 Laplacian 0.1835807E-01 (-1/4)Del**2(Rho)) -0.4589518E-02 Diamond 0.3232235E-03 Metallicity 0.4741410E+00 Ellipticity -0.1738786E+01 Gb(Abramov) 0.3422358E-02 Vb(Abramov) -0.2255199E-02 Hb(Abramov) 0.1167159E-02 Ex_ueg -0.5617575E-03 Ec_ueg -0.1288868E-03 Delta_ex -0.8377424E-03 Delta_ec 0.4713372E-03 Delta_et -0.2536676E-02 Pxc 0.4358533E+01 Qxc -0.1777374E+01 3,+1 102 3 +1 -1.787293 -1.708488 1.787425 Rho 0.1261719E-01 |GRAD(Rho)| 0.1152737E-15 GRAD(Rho)x 0.5391963E-16 GRAD(Rho)y -0.9317831E-16 GRAD(Rho)z -0.4121298E-16 Laplacian 0.6332771E-01 (-1/4)Del**2(Rho)) -0.1583193E-01 Diamond 0.2662401E-02 Metallicity 0.7440870E+00 Ellipticity -0.1243972E+01 Gb(Abramov) 0.1251801E-01 Vb(Abramov) -0.9204086E-02 Hb(Abramov) 0.3313921E-02 Ex_ueg -0.2169378E-02 Ec_ueg -0.4881350E-03 Delta_ex -0.3139263E-02 Delta_ec 0.7950177E-03 Delta_et -0.6054863E-02 Pxc 0.4444216E+01 Qxc -0.3948671E+01 3,+1 103 3 +1 -0.616359 -1.651779 0.546273 Rho 0.9450741E-02 |GRAD(Rho)| 0.2119825E-16 GRAD(Rho)x 0.6254796E-17 GRAD(Rho)y 0.1902840E-16 GRAD(Rho)z -0.6939992E-17 Laplacian 0.3601955E-01 (-1/4)Del**2(Rho)) -0.9004887E-02 Diamond 0.1114259E-02 Metallicity 0.8081985E+00 Ellipticity -0.1538419E+01 Gb(Abramov) 0.7216214E-02 Vb(Abramov) -0.5427541E-02 Hb(Abramov) 0.1788673E-02 Ex_ueg -0.1475728E-02 Ec_ueg -0.3432035E-03 Delta_ex -0.1692601E-02 Delta_ec 0.5196168E-03 Delta_et -0.3628425E-02 Pxc 0.4299861E+01 Qxc -0.3257402E+01 3,+1 104 3 -1 -0.052129 0.045623 2.974676 Rho 0.6078551E-02 |GRAD(Rho)| 0.1897073E-14 GRAD(Rho)x -0.1405375E-14 GRAD(Rho)y 0.1262521E-14 GRAD(Rho)z -0.1727657E-15 Laplacian 0.2406525E-01 (-1/4)Del**2(Rho)) -0.6016313E-02 Diamond 0.8373381E-03 Metallicity 0.5797260E+00 Ellipticity 0.1878816E+01 Gb(Abramov) 0.4592178E-02 Vb(Abramov) -0.3168042E-02 Hb(Abramov) 0.1424136E-02 Ex_ueg -0.8193167E-03 Ec_ueg -0.1936185E-03 Delta_ex -0.1320071E-02 Delta_ec 0.8951461E-03 Delta_et -0.5100427E-02 Pxc 0.4231603E+01 Qxc -0.1474699E+01 3,-1 105 3 +1 -0.578655 1.667148 -0.544853 Rho 0.8073040E-02 |GRAD(Rho)| 0.5628984E-17 GRAD(Rho)x -0.5217730E-17 GRAD(Rho)y 0.4198901E-18 GRAD(Rho)z -0.2069892E-17 Laplacian 0.3048437E-01 (-1/4)Del**2(Rho)) -0.7621093E-02 Diamond 0.7287423E-03 Metallicity 0.7343974E+00 Ellipticity -0.1424776E+01 Gb(Abramov) 0.6013547E-02 Vb(Abramov) -0.4406001E-02 Hb(Abramov) 0.1607546E-02 Ex_ueg -0.1196101E-02 Ec_ueg -0.2814645E-03 Delta_ex -0.1360923E-02 Delta_ec 0.4116977E-03 Delta_et -0.2782752E-02 Pxc 0.4249563E+01 Qxc -0.3305635E+01 3,+1 106 3 +1 -0.181317 2.997535 0.189725 Rho 0.5260358E-02 |GRAD(Rho)| 0.8133191E-15 GRAD(Rho)x 0.1822642E-15 GRAD(Rho)y 0.7918333E-15 GRAD(Rho)z -0.3560543E-16 Laplacian 0.2121916E-01 (-1/4)Del**2(Rho)) -0.5304790E-02 Diamond 0.4941693E-03 Metallicity 0.5167064E+00 Ellipticity -0.2449366E+01 Gb(Abramov) 0.3993363E-02 Vb(Abramov) -0.2681936E-02 Hb(Abramov) 0.1311427E-02 Ex_ueg -0.6756764E-03 Ec_ueg -0.1581342E-03 Delta_ex -0.1034512E-02 Delta_ec 0.6129964E-03 Delta_et -0.3402372E-02 Pxc 0.4272804E+01 Qxc -0.1687632E+01 3,+1 107 3 -1 -1.811031 -0.598448 -1.840895 Rho 0.3967338E-01 |GRAD(Rho)| 0.1337371E-13 GRAD(Rho)x -0.4488154E-14 GRAD(Rho)y -0.1246418E-14 GRAD(Rho)z -0.1253630E-13 Laplacian 0.1688551E+00 (-1/4)Del**2(Rho)) -0.4221378E-01 Diamond 0.6922075E-01 Metallicity 0.1883350E+01 Ellipticity 0.1966423E-01 Gb(Abramov) 0.4139307E-01 Vb(Abramov) -0.4057236E-01 Hb(Abramov) 0.8207082E-03 Ex_ueg -0.9993493E-02 Ec_ueg -0.1852560E-02 Delta_ex -0.1351331E-01 Delta_ec 0.5743664E-02 Delta_et -0.5703300E-01 Pxc 0.5394424E+01 Qxc -0.2352734E+01 3,-1 108 3 -1 -1.789381 -0.535655 2.810297 Rho 0.1429453E+00 |GRAD(Rho)| 0.1222361E-11 GRAD(Rho)x 0.8797785E-12 GRAD(Rho)y -0.8136237E-12 GRAD(Rho)z 0.2411887E-12 Laplacian 0.6041169E+00 (-1/4)Del**2(Rho)) -0.1510292E+00 Diamond 0.1145806E+01 Metallicity 0.4457678E+01 Ellipticity 0.1941264E-01 Gb(Abramov) 0.2128928E+00 Vb(Abramov) -0.2747563E+00 Hb(Abramov) -0.6186355E-01 Ex_ueg -0.5520075E-01 Ec_ueg -0.7993453E-02 Delta_ex -0.6401311E-01 Delta_ec 0.1532884E-01 Delta_et -0.2022625E+00 Pxc 0.6905745E+01 Qxc -0.4175992E+01 3,-1 109 3 +1 -0.248693 -0.440311 -3.231245 Rho 0.2939088E-02 |GRAD(Rho)| 0.3526475E-17 GRAD(Rho)x -0.3511633E-17 GRAD(Rho)y -0.2499914E-18 GRAD(Rho)z 0.2048473E-18 Laplacian 0.1064308E-01 (-1/4)Del**2(Rho)) -0.2660771E-02 Diamond 0.9732570E-04 Metallicity 0.3904512E+00 Ellipticity -0.1513971E+01 Gb(Abramov) 0.1946997E-02 Vb(Abramov) -0.1233224E-02 Hb(Abramov) 0.7137734E-03 Ex_ueg -0.3109343E-03 Ec_ueg -0.5933088E-04 Delta_ex -0.4337471E-03 Delta_ec 0.2532796E-03 Delta_et -0.1205590E-02 Pxc 0.5240682E+01 Qxc -0.1712523E+01 3,+1 110 3 +1 -0.333236 -1.093240 -2.724663 Rho 0.2980815E-02 |GRAD(Rho)| 0.1122357E-16 GRAD(Rho)x -0.9195648E-17 GRAD(Rho)y 0.4838442E-18 GRAD(Rho)z 0.6416734E-17 Laplacian 0.1103167E-01 (-1/4)Del**2(Rho)) -0.2757919E-02 Diamond 0.8725511E-04 Metallicity 0.3856531E+00 Ellipticity -0.1308708E+01 Gb(Abramov) 0.2015879E-02 Vb(Abramov) -0.1273839E-02 Hb(Abramov) 0.7420395E-03 Ex_ueg -0.3168340E-03 Ec_ueg -0.6108157E-04 Delta_ex -0.4220496E-03 Delta_ec 0.2111441E-03 Delta_et -0.1037442E-02 Pxc 0.5187064E+01 Qxc -0.1998870E+01 3,+1 111 3 +3 -0.038634 -2.399450 -0.069209 Rho 0.4105601E-02 |GRAD(Rho)| 0.3601007E-16 GRAD(Rho)x 0.8759556E-17 GRAD(Rho)y 0.3062180E-16 GRAD(Rho)z 0.1680180E-16 Laplacian 0.1635985E-01 (-1/4)Del**2(Rho)) -0.4089962E-02 Diamond 0.1261080E-03 Metallicity 0.4433994E+00 Ellipticity -0.2923365E+00 Gb(Abramov) 0.3028889E-02 Vb(Abramov) -0.1967816E-02 Hb(Abramov) 0.1061073E-02 Ex_ueg -0.4855351E-03 Ec_ueg -0.1086286E-03 Delta_ex -0.5822353E-03 Delta_ec 0.1558260E-03 Delta_et -0.9452853E-03 Pxc 0.4469682E+01 Qxc -0.3736446E+01 3,+3 112 3 -1 -0.017556 -3.314825 -1.238402 Rho 0.3618243E-01 |GRAD(Rho)| 0.7504783E-15 GRAD(Rho)x 0.7086854E-15 GRAD(Rho)y 0.2032809E-15 GRAD(Rho)z -0.1402128E-15 Laplacian 0.1013487E+00 (-1/4)Del**2(Rho)) -0.2533717E-01 Diamond 0.5160132E-01 Metallicity 0.2691274E+01 Ellipticity 0.2164082E-01 Gb(Abramov) 0.2825632E-01 Vb(Abramov) -0.3117548E-01 Hb(Abramov) -0.2919153E-02 Ex_ueg -0.8838569E-02 Ec_ueg -0.1666696E-02 Delta_ex -0.8924835E-02 Delta_ec 0.5218238E-02 Delta_et -0.5057998E-01 Pxc 0.5303048E+01 Qxc -0.1710316E+01 3,-1 113 3 -1 -0.598849 -2.766926 1.818592 Rho 0.1531420E+00 |GRAD(Rho)| 0.1191608E-11 GRAD(Rho)x -0.8511367E-12 GRAD(Rho)y -0.5290972E-13 GRAD(Rho)z -0.8322842E-12 Laplacian 0.6469886E+00 (-1/4)Del**2(Rho)) -0.1617472E+00 Diamond 0.1337582E+01 Metallicity 0.4668821E+01 Ellipticity 0.2051448E-01 Gb(Abramov) 0.2336929E+00 Vb(Abramov) -0.3056386E+00 Hb(Abramov) -0.7194570E-01 Ex_ueg -0.6051239E-01 Ec_ueg -0.8644952E-02 Delta_ex -0.6977203E-01 Delta_ec 0.1621691E-01 Delta_et -0.2162233E+00 Pxc 0.6999736E+01 Qxc -0.4302424E+01 3,-1 114 3 +1 -0.261928 -2.326171 -1.121049 Rho 0.8152799E-02 |GRAD(Rho)| 0.2023428E-16 GRAD(Rho)x -0.9400706E-17 GRAD(Rho)y 0.1781056E-16 GRAD(Rho)z 0.1958753E-17 Laplacian 0.3240793E-01 (-1/4)Del**2(Rho)) -0.8101982E-02 Diamond 0.1079069E-02 Metallicity 0.7022199E+00 Ellipticity -0.1884258E+01 Gb(Abramov) 0.6349550E-02 Vb(Abramov) -0.4597118E-02 Hb(Abramov) 0.1752432E-02 Ex_ueg -0.1211883E-02 Ec_ueg -0.2850157E-03 Delta_ex -0.1592605E-02 Delta_ec 0.6915557E-03 Delta_et -0.4467800E-02 Pxc 0.4251986E+01 Qxc -0.2302931E+01 3,+1 115 3 -1 -0.840895 2.021183 3.019007 Rho 0.1180790E+00 |GRAD(Rho)| 0.7237257E-13 GRAD(Rho)x 0.6973819E-13 GRAD(Rho)y -0.1870312E-13 GRAD(Rho)z -0.4956369E-14 Laplacian 0.4594665E+00 (-1/4)Del**2(Rho)) -0.1148666E+00 Diamond 0.7000802E+00 Metallicity 0.4262329E+01 Ellipticity 0.2263575E-01 Gb(Abramov) 0.1581776E+00 Vb(Abramov) -0.2014886E+00 Hb(Abramov) -0.4331101E-01 Ex_ueg -0.4278404E-01 Ec_ueg -0.6432668E-02 Delta_ex -0.4659014E-01 Delta_ec 0.1238791E-01 Delta_et -0.1588382E+00 Pxc 0.6651057E+01 Qxc -0.3760936E+01 3,-1 116 3 -1 -0.568778 2.810977 -1.812704 Rho 0.1593723E+00 |GRAD(Rho)| 0.1321521E-15 GRAD(Rho)x -0.1216204E-15 GRAD(Rho)y 0.4521123E-16 GRAD(Rho)z -0.2507218E-16 Laplacian 0.6517116E+00 (-1/4)Del**2(Rho)) -0.1629279E+00 Diamond 0.1409131E+01 Metallicity 0.4953503E+01 Ellipticity 0.7576076E-02 Gb(Abramov) 0.2431292E+00 Vb(Abramov) -0.3233305E+00 Hb(Abramov) -0.8020133E-01 Ex_ueg -0.6381686E-01 Ec_ueg -0.9046150E-02 Delta_ex -0.7093876E-01 Delta_ec 0.1610103E-01 Delta_et -0.2156159E+00 Pxc 0.7054589E+01 Qxc -0.4405853E+01 3,-1 117 3 -1 -0.843916 3.030563 2.027388 Rho 0.1637816E+00 |GRAD(Rho)| 0.3598678E-15 GRAD(Rho)x 0.1525472E-15 GRAD(Rho)y 0.2891296E-15 GRAD(Rho)z -0.1504602E-15 Laplacian 0.6419056E+00 (-1/4)Del**2(Rho)) -0.1604764E+00 Diamond 0.1435209E+01 Metallicity 0.5263206E+01 Ellipticity 0.3837970E-01 Gb(Abramov) 0.2477543E+00 Vb(Abramov) -0.3350323E+00 Hb(Abramov) -0.8727793E-01 Ex_ueg -0.6618178E-01 Ec_ueg -0.9331492E-02 Delta_ex -0.7035656E-01 Delta_ec 0.1576500E-01 Delta_et -0.2118680E+00 Pxc 0.7092304E+01 Qxc -0.4462835E+01 3,-1 118 3 -1 0.051087 -2.021381 -1.114940 Rho 0.8739823E-02 |GRAD(Rho)| 0.7394861E-17 GRAD(Rho)x -0.5990339E-17 GRAD(Rho)y 0.4300928E-17 GRAD(Rho)z -0.5493890E-18 Laplacian 0.3394142E-01 (-1/4)Del**2(Rho)) -0.8485355E-02 Diamond 0.1892486E-02 Metallicity 0.7528716E+00 Ellipticity 0.4228241E+00 Gb(Abramov) 0.6721634E-02 Vb(Abramov) -0.4957913E-02 Hb(Abramov) 0.1763721E-02 Ex_ueg -0.1329603E-02 Ec_ueg -0.3112405E-03 Delta_ex -0.1982036E-02 Delta_ec 0.1236611E-02 Delta_et -0.7873741E-02 Pxc 0.4271946E+01 Qxc -0.1602798E+01 3,-1 119 3 -1 -0.557890 -1.810118 2.777639 Rho 0.1285314E+00 |GRAD(Rho)| 0.1070014E-15 GRAD(Rho)x 0.5215012E-16 GRAD(Rho)y -0.9020562E-16 GRAD(Rho)z 0.2434373E-16 Laplacian 0.5279482E+00 (-1/4)Del**2(Rho)) -0.1319870E+00 Diamond 0.8908332E+00 Metallicity 0.4272715E+01 Ellipticity 0.1390712E-01 Gb(Abramov) 0.1819819E+00 Vb(Abramov) -0.2319767E+00 Hb(Abramov) -0.4999483E-01 Ex_ueg -0.4790682E-01 Ec_ueg -0.7083731E-02 Delta_ex -0.5463197E-01 Delta_ec 0.1395471E-01 Delta_et -0.1815442E+00 Pxc 0.6762936E+01 Qxc -0.3914948E+01 3,-1 120 3 +3 0.021957 -0.019214 2.279474 Rho 0.4791385E-02 |GRAD(Rho)| 0.8882176E-17 GRAD(Rho)x -0.1977438E-17 GRAD(Rho)y -0.7311087E-17 GRAD(Rho)z -0.4640129E-17 Laplacian 0.1963193E-01 (-1/4)Del**2(Rho)) -0.4907983E-02 Diamond 0.1636932E-03 Metallicity 0.4779897E+00 Ellipticity -0.3235277E+00 Gb(Abramov) 0.3662983E-02 Vb(Abramov) -0.2417983E-02 Hb(Abramov) 0.1245000E-02 Ex_ueg -0.5965769E-03 Ec_ueg -0.1379463E-03 Delta_ex -0.7040822E-03 Delta_ec 0.1467903E-03 Delta_et -0.9784932E-03 Pxc 0.4324704E+01 Qxc -0.4796518E+01 3,+3 121 3 +3 -0.248691 -0.504916 -2.724796 Rho 0.2709603E-02 |GRAD(Rho)| 0.4010422E-17 GRAD(Rho)x -0.3511610E-17 GRAD(Rho)y 0.1933109E-17 GRAD(Rho)z -0.1231688E-18 Laplacian 0.1022622E-01 (-1/4)Del**2(Rho)) -0.2556554E-02 Diamond 0.5974495E-04 Metallicity 0.3548741E+00 Ellipticity -0.6785133E+00 Gb(Abramov) 0.1855579E-02 Vb(Abramov) -0.1154603E-02 Hb(Abramov) 0.7009756E-03 Ex_ueg -0.2789926E-03 Ec_ueg -0.4971976E-04 Delta_ex -0.3595497E-03 Delta_ec 0.1529106E-03 Delta_et -0.7602019E-03 Pxc 0.5611302E+01 Qxc -0.2351373E+01 3,+3 122 3 -1 -0.581324 -0.528707 -0.506624 Rho 0.1897107E+00 |GRAD(Rho)| 0.2829248E-15 GRAD(Rho)x -0.1908196E-15 GRAD(Rho)y -0.4163336E-16 GRAD(Rho)z -0.2046974E-15 Laplacian 0.5087882E+00 (-1/4)Del**2(Rho)) -0.1271970E+00 Diamond 0.1370975E+01 Metallicity 0.8483256E+01 Ellipticity 0.2387435E-01 Gb(Abramov) 0.2646389E+00 Vb(Abramov) -0.4020807E+00 Hb(Abramov) -0.1374418E+00 Ex_ueg -0.8050834E-01 Ec_ueg -0.1103242E-01 Delta_ex -0.5796640E-01 Delta_ec 0.1220154E-01 Delta_et -0.1671336E+00 Pxc 0.7297430E+01 Qxc -0.4750744E+01 3,-1 123 3 -1 -0.517795 0.433787 0.453715 Rho 0.1753269E+00 |GRAD(Rho)| 0.2008669E-12 GRAD(Rho)x 0.1041493E-12 GRAD(Rho)y -0.1206708E-12 GRAD(Rho)z -0.1222251E-12 Laplacian 0.4523535E+00 (-1/4)Del**2(Rho)) -0.1130884E+00 Diamond 0.1127796E+01 Metallicity 0.8366607E+01 Ellipticity 0.5801172E-02 Gb(Abramov) 0.2330866E+00 Vb(Abramov) -0.3530848E+00 Hb(Abramov) -0.1199982E+00 Ex_ueg -0.7247414E-01 Ec_ueg -0.1008406E-01 Delta_ex -0.5067717E-01 Delta_ec 0.1135109E-01 Delta_et -0.1550053E+00 Pxc 0.7187000E+01 Qxc -0.4464522E+01 3,-1 124 3 +1 0.542542 1.681446 0.490315 Rho 0.7312494E-02 |GRAD(Rho)| 0.6498029E-17 GRAD(Rho)x -0.3925186E-17 GRAD(Rho)y -0.5834634E-18 GRAD(Rho)z 0.5145567E-17 Laplacian 0.2841246E-01 (-1/4)Del**2(Rho)) -0.7103116E-02 Diamond 0.6182098E-03 Metallicity 0.6681596E+00 Ellipticity -0.1401549E+01 Gb(Abramov) 0.5526413E-02 Vb(Abramov) -0.3949710E-02 Hb(Abramov) 0.1576703E-02 Ex_ueg -0.1048268E-02 Ec_ueg -0.2477472E-03 Delta_ex -0.1250910E-02 Delta_ec 0.4082826E-03 Delta_et -0.2668839E-02 Pxc 0.4231202E+01 Qxc -0.3063834E+01 3,+1 125 3 +3 1.097672 1.093786 1.068817 Rho 0.4393734E-02 |GRAD(Rho)| 0.2318981E-17 GRAD(Rho)x 0.1305361E-17 GRAD(Rho)y -0.6840775E-18 GRAD(Rho)z -0.1790458E-17 Laplacian 0.1696423E-01 (-1/4)Del**2(Rho)) -0.4241056E-02 Diamond 0.1054451E-03 Metallicity 0.4787793E+00 Ellipticity -0.1232258E+00 Gb(Abramov) 0.3165793E-02 Vb(Abramov) -0.2090529E-02 Hb(Abramov) 0.1075264E-02 Ex_ueg -0.5314920E-03 Ec_ueg -0.1209167E-03 Delta_ex -0.5723492E-03 Delta_ec 0.8690153E-04 Delta_et -0.6370000E-03 Pxc 0.4395521E+01 Qxc -0.6586181E+01 3,+3 126 3 +1 0.441557 -1.745436 -0.659235 Rho 0.7284075E-02 |GRAD(Rho)| 0.2634794E-16 GRAD(Rho)x 0.2503111E-16 GRAD(Rho)y 0.2123551E-17 GRAD(Rho)z 0.7946590E-17 Laplacian 0.2723554E-01 (-1/4)Del**2(Rho)) -0.6808886E-02 Diamond 0.6864791E-03 Metallicity 0.6925234E+00 Ellipticity -0.1659952E+01 Gb(Abramov) 0.5325143E-02 Vb(Abramov) -0.3841399E-02 Hb(Abramov) 0.1483743E-02 Ex_ueg -0.1042840E-02 Ec_ueg -0.2464924E-03 Delta_ex -0.1252478E-02 Delta_ec 0.4887517E-03 Delta_et -0.3110585E-02 Pxc 0.4230718E+01 Qxc -0.2562605E+01 3,+1 127 3 +1 1.671305 0.521638 0.530464 Rho 0.7141182E-02 |GRAD(Rho)| 0.6789862E-17 GRAD(Rho)x 0.2287570E-17 GRAD(Rho)y -0.3819297E-17 GRAD(Rho)z 0.5126619E-17 Laplacian 0.2737374E-01 (-1/4)Del**2(Rho)) -0.6843435E-02 Diamond 0.5747576E-03 Metallicity 0.6666468E+00 Ellipticity -0.1402809E+01 Gb(Abramov) 0.5322649E-02 Vb(Abramov) -0.3801863E-02 Hb(Abramov) 0.1520786E-02 Ex_ueg -0.1015653E-02 Ec_ueg -0.2401892E-03 Delta_ex -0.1196976E-02 Delta_ec 0.3913302E-03 Delta_et -0.2543921E-02 Pxc 0.4228552E+01 Qxc -0.3058736E+01 3,+1 128 3 -1 -0.107214 -3.238196 3.184884 Rho 0.2315234E+00 |GRAD(Rho)| 0.3613247E-12 GRAD(Rho)x 0.8175126E-13 GRAD(Rho)y 0.2495812E-12 GRAD(Rho)z -0.2481562E-12 Laplacian 0.8560760E+00 (-1/4)Del**2(Rho)) -0.2140190E+00 Diamond 0.2893592E+01 Metallicity 0.7026824E+01 Ellipticity 0.3412657E-02 Gb(Abramov) 0.3933250E+00 Vb(Abramov) -0.5726309E+00 Hb(Abramov) -0.1793060E+00 Ex_ueg -0.1049973E+00 Ec_ueg -0.1385512E-01 Delta_ex -0.1024337E+00 Delta_ec 0.1905379E-01 Delta_et -0.2633127E+00 Pxc 0.7578234E+01 Qxc -0.5376027E+01 3,-1 129 3 -1 -0.581663 1.829163 -2.827195 Rho 0.1692257E+00 |GRAD(Rho)| 0.1090097E-08 GRAD(Rho)x -0.7089558E-09 GRAD(Rho)y -0.7692480E-09 GRAD(Rho)z -0.3065123E-09 Laplacian 0.7062799E+00 (-1/4)Del**2(Rho)) -0.1765700E+00 Diamond 0.1629796E+01 Metallicity 0.5051420E+01 Ellipticity 0.2013085E-01 Gb(Abramov) 0.2663682E+00 Vb(Abramov) -0.3561664E+00 Hb(Abramov) -0.8979820E-01 Ex_ueg -0.6913110E-01 Ec_ueg -0.9685391E-02 Delta_ex -0.7794020E-01 Delta_ec 0.1700971E-01 Delta_et -0.2289472E+00 Pxc 0.7137668E+01 Qxc -0.4582100E+01 3,-1 130 3 -1 -0.525502 1.753181 1.730232 Rho 0.4469253E-01 |GRAD(Rho)| 0.1766986E-14 GRAD(Rho)x 0.6532564E-15 GRAD(Rho)y 0.1206342E-14 GRAD(Rho)z 0.1113658E-14 Laplacian 0.1784431E+00 (-1/4)Del**2(Rho)) -0.4461077E-01 Diamond 0.7681496E-01 Metallicity 0.2173560E+01 Ellipticity 0.4416536E-01 Gb(Abramov) 0.4590122E-01 Vb(Abramov) -0.4719166E-01 Hb(Abramov) -0.1290444E-02 Ex_ueg -0.1171382E-01 Ec_ueg -0.2123668E-02 Delta_ex -0.1423830E-01 Delta_ec 0.5245839E-02 Delta_et -0.5369079E-01 Pxc 0.5515841E+01 Qxc -0.2714208E+01 3,-1 131 3 -1 0.510952 -1.762374 1.707086 Rho 0.4859482E-01 |GRAD(Rho)| 0.7877867E-16 GRAD(Rho)x -0.1343161E-16 GRAD(Rho)y -0.7361521E-16 GRAD(Rho)z 0.2462664E-16 Laplacian 0.1939582E+00 (-1/4)Del**2(Rho)) -0.4848955E-01 Diamond 0.9353464E-01 Metallicity 0.2299085E+01 Ellipticity 0.1555627E-01 Gb(Abramov) 0.5090663E-01 Vb(Abramov) -0.5332371E-01 Hb(Abramov) -0.2417080E-02 Ex_ueg -0.1309700E-01 Ec_ueg -0.2337349E-02 Delta_ex -0.1580408E-01 Delta_ec 0.5696430E-02 Delta_et -0.5959941E-01 Pxc 0.5603355E+01 Qxc -0.2774383E+01 3,-1 132 3 -1 1.727474 -1.751604 0.510866 Rho 0.4283563E-01 |GRAD(Rho)| 0.4443757E-16 GRAD(Rho)x 0.4095785E-16 GRAD(Rho)y -0.7068066E-17 GRAD(Rho)z 0.1572241E-16 Laplacian 0.1818290E+00 (-1/4)Del**2(Rho)) -0.4545725E-01 Diamond 0.7988659E-01 Metallicity 0.1987431E+01 Ellipticity 0.1940186E-01 Gb(Abramov) 0.4536202E-01 Vb(Abramov) -0.4526680E-01 Hb(Abramov) 0.9522811E-04 Ex_ueg -0.1106943E-01 Ec_ueg -0.2022860E-02 Delta_ex -0.1467329E-01 Delta_ec 0.5914715E-02 Delta_et -0.5995238E-01 Pxc 0.5472170E+01 Qxc -0.2480812E+01 3,-1 133 3 +3 2.330061 0.004602 0.021380 Rho 0.4030917E-02 |GRAD(Rho)| 0.7567609E-17 GRAD(Rho)x -0.3385909E-17 GRAD(Rho)y -0.6228820E-17 GRAD(Rho)z -0.2646911E-17 Laplacian 0.1616346E-01 (-1/4)Del**2(Rho)) -0.4040865E-02 Diamond 0.1146050E-03 Metallicity 0.4352631E+00 Ellipticity -0.2245138E+00 Gb(Abramov) 0.2987050E-02 Vb(Abramov) -0.1933235E-02 Hb(Abramov) 0.1053815E-02 Ex_ueg -0.4737947E-03 Ec_ueg -0.1054506E-03 Delta_ex -0.5640208E-03 Delta_ec 0.1386466E-03 Delta_et -0.8581311E-03 Pxc 0.4493050E+01 Qxc -0.4068047E+01 3,+3 134 3 -1 0.091528 3.243501 3.210799 Rho 0.2307122E+00 |GRAD(Rho)| 0.2706699E-10 GRAD(Rho)x 0.5080621E-11 GRAD(Rho)y 0.1836317E-10 GRAD(Rho)z 0.1922506E-10 Laplacian 0.8477664E+00 (-1/4)Del**2(Rho)) -0.2119416E+00 Diamond 0.2858951E+01 Metallicity 0.7054310E+01 Ellipticity 0.6385435E-02 Gb(Abramov) 0.3904780E+00 Vb(Abramov) -0.5690144E+00 Hb(Abramov) -0.1785364E+00 Ex_ueg -0.1045071E+00 Ec_ueg -0.1379944E-01 Delta_ex -0.1013778E+00 Delta_ec 0.1894350E-01 Delta_et -0.2619824E+00 Pxc 0.7573287E+01 Qxc -0.5351587E+01 3,-1 135 3 -1 -0.048416 3.211960 -3.198925 Rho 0.2309924E+00 |GRAD(Rho)| 0.6121098E-15 GRAD(Rho)x 0.9878437E-16 GRAD(Rho)y -0.4291814E-15 GRAD(Rho)z 0.4251157E-15 Laplacian 0.8523691E+00 (-1/4)Del**2(Rho)) -0.2130923E+00 Diamond 0.2876256E+01 Metallicity 0.7030428E+01 Ellipticity 0.1441831E-02 Gb(Abramov) 0.3917498E+00 Vb(Abramov) -0.5704074E+00 Hb(Abramov) -0.1786575E+00 Ex_ueg -0.1046764E+00 Ec_ueg -0.1381867E-01 Delta_ex -0.1019468E+00 Delta_ec 0.1901544E-01 Delta_et -0.2628896E+00 Pxc 0.7574998E+01 Qxc -0.5361267E+01 3,-1 136 3 -1 0.406984 -0.522842 0.434911 Rho 0.1782339E+00 |GRAD(Rho)| 0.4268884E-12 GRAD(Rho)x -0.2446099E-12 GRAD(Rho)y 0.2365018E-12 GRAD(Rho)z -0.2578111E-12 Laplacian 0.4669291E+00 (-1/4)Del**2(Rho)) -0.1167323E+00 Diamond 0.1186620E+01 Metallicity 0.8330659E+01 Ellipticity 0.2331960E-02 Gb(Abramov) 0.2398977E+00 Vb(Abramov) -0.3630630E+00 Hb(Abramov) -0.1231654E+00 Ex_ueg -0.7408076E-01 Ec_ueg -0.1027477E-01 Delta_ex -0.5251953E-01 Delta_ec 0.1165684E-01 Delta_et -0.1594579E+00 Pxc 0.7209967E+01 Qxc -0.4505468E+01 3,-1 137 3 -1 0.406067 0.405077 -0.514657 Rho 0.1771304E+00 |GRAD(Rho)| 0.1128504E-15 GRAD(Rho)x -0.6591949E-16 GRAD(Rho)y -0.7285839E-16 GRAD(Rho)z 0.5551115E-16 Laplacian 0.4535638E+00 (-1/4)Del**2(Rho)) -0.1133909E+00 Diamond 0.1149262E+01 Metallicity 0.8487826E+01 Ellipticity 0.1302978E-02 Gb(Abramov) 0.2360011E+00 Vb(Abramov) -0.3586112E+00 Hb(Abramov) -0.1226101E+00 Ex_ueg -0.7346984E-01 Ec_ueg -0.1020232E-01 Delta_ex -0.5097837E-01 Delta_ec 0.1141510E-01 Delta_et -0.1562479E+00 Pxc 0.7201288E+01 Qxc -0.4465872E+01 3,-1 138 3 +1 1.752930 1.783832 1.792389 Rho 0.1190658E-01 |GRAD(Rho)| 0.8316275E-16 GRAD(Rho)x -0.8330670E-17 GRAD(Rho)y 0.6253957E-16 GRAD(Rho)z -0.5417974E-16 Laplacian 0.5772195E-01 (-1/4)Del**2(Rho)) -0.1443049E-01 Diamond 0.2222749E-02 Metallicity 0.7411687E+00 Ellipticity -0.1255785E+01 Gb(Abramov) 0.1140290E-01 Vb(Abramov) -0.8375304E-02 Hb(Abramov) 0.3027591E-02 Ex_ueg -0.2008018E-02 Ec_ueg -0.4552580E-03 Delta_ex -0.2812314E-02 Delta_ec 0.7150709E-03 Delta_et -0.5377956E-02 Pxc 0.4410726E+01 Qxc -0.3932916E+01 3,+1 139 3 -1 0.821246 -3.054390 1.978467 Rho 0.1526880E+00 |GRAD(Rho)| 0.1150579E-13 GRAD(Rho)x -0.7710656E-14 GRAD(Rho)y 0.4198478E-14 GRAD(Rho)z 0.7436516E-14 Laplacian 0.5898775E+00 (-1/4)Del**2(Rho)) -0.1474694E+00 Diamond 0.1218695E+01 Metallicity 0.5095571E+01 Ellipticity 0.3561912E-01 Gb(Abramov) 0.2235530E+00 Vb(Abramov) -0.2996367E+00 Hb(Abramov) -0.7608365E-01 Ex_ueg -0.6027330E-01 Ec_ueg -0.8615806E-02 Delta_ex -0.6360080E-01 Delta_ec 0.1485766E-01 Delta_et -0.1981673E+00 Pxc 0.6995665E+01 Qxc -0.4280673E+01 3,-1 140 3 +1 1.394832 -2.221950 1.018961 Rho 0.2616067E-01 |GRAD(Rho)| 0.3972541E-13 GRAD(Rho)x 0.3076254E-13 GRAD(Rho)y -0.1333864E-13 GRAD(Rho)z -0.2130388E-13 Laplacian 0.1001188E+00 (-1/4)Del**2(Rho)) -0.2502970E-01 Diamond 0.1228955E-01 Metallicity 0.1586764E+01 Ellipticity -0.2536351E+01 Gb(Abramov) 0.2330584E-01 Vb(Abramov) -0.2158198E-01 Hb(Abramov) 0.1723861E-02 Ex_ueg -0.5735663E-02 Ec_ueg -0.1147328E-02 Delta_ex -0.6134300E-02 Delta_ec 0.1397930E-02 Delta_et -0.1253694E-01 Pxc 0.4999148E+01 Qxc -0.4388131E+01 3,+1 141 3 -1 0.491782 1.689114 -1.748167 Rho 0.4764012E-01 |GRAD(Rho)| 0.4555389E-14 GRAD(Rho)x 0.3344421E-14 GRAD(Rho)y -0.1486362E-14 GRAD(Rho)z -0.2712406E-14 Laplacian 0.1877634E+00 (-1/4)Del**2(Rho)) -0.4694085E-01 Diamond 0.8843847E-01 Metallicity 0.2297684E+01 Ellipticity 0.1507854E-01 Gb(Abramov) 0.4926977E-01 Vb(Abramov) -0.5159869E-01 Hb(Abramov) -0.2328921E-02 Ex_ueg -0.1275505E-01 Ec_ueg -0.2284849E-02 Delta_ex -0.1523692E-01 Delta_ec 0.5540060E-02 Delta_et -0.5766942E-01 Pxc 0.5582446E+01 Qxc -0.2750317E+01 3,-1 142 3 -1 0.539783 1.835667 2.794399 Rho 0.1502939E+00 |GRAD(Rho)| 0.2424393E-13 GRAD(Rho)x -0.1413487E-13 GRAD(Rho)y 0.1956711E-13 GRAD(Rho)z -0.2258752E-14 Laplacian 0.6231950E+00 (-1/4)Del**2(Rho)) -0.1557988E+00 Diamond 0.1258224E+01 Metallicity 0.4697766E+01 Ellipticity 0.8946014E-02 Gb(Abramov) 0.2258502E+00 Vb(Abramov) -0.2959016E+00 Hb(Abramov) -0.7005144E-01 Ex_ueg -0.5901651E-01 Ec_ueg -0.8462330E-02 Delta_ex -0.6688145E-01 Delta_ec 0.1566845E-01 Delta_et -0.2083208E+00 Pxc 0.6974026E+01 Qxc -0.4268542E+01 3,-1 143 3 -1 0.868193 2.010722 -2.974527 Rho 0.1311573E+00 |GRAD(Rho)| 0.1272687E-15 GRAD(Rho)x -0.5247539E-16 GRAD(Rho)y -0.1108258E-15 GRAD(Rho)z 0.3407783E-16 Laplacian 0.5172658E+00 (-1/4)Del**2(Rho)) -0.1293164E+00 Diamond 0.8903592E+00 Metallicity 0.4510455E+01 Ellipticity 0.4471466E-01 Gb(Abramov) 0.1834236E+00 Vb(Abramov) -0.2375308E+00 Hb(Abramov) -0.5410718E-01 Ex_ueg -0.4921624E-01 Ec_ueg -0.7248457E-02 Delta_ex -0.5374125E-01 Delta_ec 0.1352322E-01 Delta_et -0.1763554E+00 Pxc 0.6789893E+01 Qxc -0.3973998E+01 3,-1 144 3 -1 0.823567 -2.043535 3.010699 Rho 0.1521954E+00 |GRAD(Rho)| 0.2615881E-14 GRAD(Rho)x -0.1850679E-14 GRAD(Rho)y -0.1701289E-14 GRAD(Rho)z -0.7234881E-15 Laplacian 0.5985361E+00 (-1/4)Del**2(Rho)) -0.1496340E+00 Diamond 0.1229647E+01 Metallicity 0.4994882E+01 Ellipticity 0.3435000E-01 Gb(Abramov) 0.2243234E+00 Vb(Abramov) -0.2990128E+00 Hb(Abramov) -0.7468937E-01 Ex_ueg -0.6001415E-01 Ec_ueg -0.8584197E-02 Delta_ex -0.6446202E-01 Delta_ec 0.1505049E-01 Delta_et -0.2005627E+00 Pxc 0.6991236E+01 Qxc -0.4283053E+01 3,-1 145 3 -1 1.218439 -1.984909 -2.417891 Rho 0.3727445E-01 |GRAD(Rho)| 0.2285003E-15 GRAD(Rho)x -0.1990758E-15 GRAD(Rho)y -0.4677864E-16 GRAD(Rho)z -0.1019459E-15 Laplacian 0.1122564E+00 (-1/4)Del**2(Rho)) -0.2806410E-01 Diamond 0.5685357E-01 Metallicity 0.2553216E+01 Ellipticity 0.1613525E-01 Gb(Abramov) 0.3065169E-01 Vb(Abramov) -0.3323927E-01 Hb(Abramov) -0.2587584E-02 Ex_ueg -0.9196025E-02 Ec_ueg -0.1724586E-02 Delta_ex -0.9779476E-02 Delta_ec 0.5478399E-02 Delta_et -0.5356243E-01 Pxc 0.5332308E+01 Qxc -0.1785097E+01 3,-1 146 3 +1 1.394183 -1.068362 2.176470 Rho 0.2497994E-01 |GRAD(Rho)| 0.3304692E-16 GRAD(Rho)x -0.1132586E-16 GRAD(Rho)y 0.1094380E-16 GRAD(Rho)z -0.2905266E-16 Laplacian 0.9465111E-01 (-1/4)Del**2(Rho)) -0.2366278E-01 Diamond 0.1074756E-01 Metallicity 0.1554079E+01 Ellipticity -0.2412831E+01 Gb(Abramov) 0.2190416E-01 Vb(Abramov) -0.2014553E-01 Hb(Abramov) 0.1758623E-02 Ex_ueg -0.5393121E-02 Ec_ueg -0.1087704E-02 Delta_ex -0.5709604E-02 Delta_ec 0.1292067E-02 Delta_et -0.1147610E-01 Pxc 0.4958261E+01 Qxc -0.4418968E+01 3,+1 147 3 +1 1.676872 -0.580406 -0.548414 Rho 0.7861542E-02 |GRAD(Rho)| 0.1014088E-15 GRAD(Rho)x 0.5474018E-16 GRAD(Rho)y -0.8370629E-16 GRAD(Rho)z 0.1674882E-16 Laplacian 0.3035704E-01 (-1/4)Del**2(Rho)) -0.7589260E-02 Diamond 0.7065121E-03 Metallicity 0.7055589E+00 Ellipticity -0.1401974E+01 Gb(Abramov) 0.5951951E-02 Vb(Abramov) -0.4314643E-02 Hb(Abramov) 0.1637308E-02 Ex_ueg -0.1154504E-02 Ec_ueg -0.2720615E-03 Delta_ex -0.1349506E-02 Delta_ec 0.4159514E-03 Delta_et -0.2787297E-02 Pxc 0.4243539E+01 Qxc -0.3244383E+01 3,+1 148 3 -1 1.710128 -0.550410 1.730731 Rho 0.3932445E-01 |GRAD(Rho)| 0.6093157E-16 GRAD(Rho)x 0.4264091E-16 GRAD(Rho)y 0.2837582E-16 GRAD(Rho)z 0.3300337E-16 Laplacian 0.1659373E+00 (-1/4)Del**2(Rho)) -0.4148431E-01 Diamond 0.6491145E-01 Metallicity 0.1888457E+01 Ellipticity 0.2250054E-01 Gb(Abramov) 0.4071310E-01 Vb(Abramov) -0.3994188E-01 Hb(Abramov) 0.7712171E-03 Ex_ueg -0.9876474E-02 Ec_ueg -0.1833879E-02 Delta_ex -0.1311496E-01 Delta_ec 0.5400636E-02 Delta_et -0.5347319E-01 Pxc 0.5385566E+01 Qxc -0.2428409E+01 3,-1 149 3 +1 2.993640 -0.097480 0.138560 Rho 0.4845309E-02 |GRAD(Rho)| 0.1031444E-14 GRAD(Rho)x 0.6492569E-16 GRAD(Rho)y -0.7131433E-15 GRAD(Rho)z 0.7423529E-15 Laplacian 0.1889756E-01 (-1/4)Del**2(Rho)) -0.4724389E-02 Diamond 0.4163934E-03 Metallicity 0.5059139E+00 Ellipticity -0.3308166E+01 Gb(Abramov) 0.3547948E-02 Vb(Abramov) -0.2371508E-02 Hb(Abramov) 0.1176441E-02 Ex_ueg -0.6055458E-03 Ec_ueg -0.1402619E-03 Delta_ex -0.9280234E-03 Delta_ec 0.5845742E-03 Delta_et -0.3149155E-02 Pxc 0.4317251E+01 Qxc -0.1587520E+01 3,+1 150 3 +1 2.070707 2.044918 -2.013164 Rho 0.1209038E-01 |GRAD(Rho)| 0.1847905E-15 GRAD(Rho)x -0.9634775E-16 GRAD(Rho)y -0.1148359E-15 GRAD(Rho)z 0.1080619E-15 Laplacian 0.5712139E-01 (-1/4)Del**2(Rho)) -0.1428035E-01 Diamond 0.1934478E-02 Metallicity 0.7683300E+00 Ellipticity -0.1158892E+01 Gb(Abramov) 0.1134890E-01 Vb(Abramov) -0.8417456E-02 Hb(Abramov) 0.2931446E-02 Ex_ueg -0.2049455E-02 Ec_ueg -0.4637430E-03 Delta_ex -0.2705169E-02 Delta_ec 0.5483182E-03 Delta_et -0.4266832E-02 Pxc 0.4419377E+01 Qxc -0.4933575E+01 3,+1 151 3 -1 1.709841 0.460980 -1.796593 Rho 0.4121949E-01 |GRAD(Rho)| 0.5654954E-16 GRAD(Rho)x 0.5547896E-16 GRAD(Rho)y 0.3854953E-17 GRAD(Rho)z -0.1025058E-16 Laplacian 0.1597745E+00 (-1/4)Del**2(Rho)) -0.3994364E-01 Diamond 0.6168082E-01 Metallicity 0.2121338E+01 Ellipticity 0.4557784E-01 Gb(Abramov) 0.4075142E-01 Vb(Abramov) -0.4155920E-01 Hb(Abramov) -0.8077802E-03 Ex_ueg -0.1051611E-01 Ec_ueg -0.1935602E-02 Delta_ex -0.1249747E-01 Delta_ec 0.4706345E-02 Delta_et -0.4714420E-01 Pxc 0.5432993E+01 Qxc -0.2655452E+01 3,-1 152 3 -1 1.980426 -3.046012 0.844996 Rho 0.1104526E+00 |GRAD(Rho)| 0.7382622E-14 GRAD(Rho)x -0.2612677E-14 GRAD(Rho)y 0.6883376E-14 GRAD(Rho)z -0.5442153E-15 Laplacian 0.4530895E+00 (-1/4)Del**2(Rho)) -0.1132724E+00 Diamond 0.6581529E+00 Metallicity 0.3867133E+01 Ellipticity 0.9620607E-02 Gb(Abramov) 0.1485215E+00 Vb(Abramov) -0.1837705E+00 Hb(Abramov) -0.3524909E-01 Ex_ueg -0.3913989E-01 Ec_ueg -0.5962470E-02 Delta_ex -0.4553890E-01 Delta_ec 0.1296874E-01 Delta_et -0.1650895E+00 Pxc 0.6564375E+01 Qxc -0.3511437E+01 3,-1 153 3 -1 1.836249 -2.820984 -0.627632 Rho 0.1120114E+00 |GRAD(Rho)| 0.1899206E-13 GRAD(Rho)x 0.1482342E-13 GRAD(Rho)y 0.7773750E-14 GRAD(Rho)z 0.8974036E-14 Laplacian 0.4403272E+00 (-1/4)Del**2(Rho)) -0.1100818E+00 Diamond 0.6518080E+00 Metallicity 0.4073254E+01 Ellipticity 0.1130789E+00 Gb(Abramov) 0.1481197E+00 Vb(Abramov) -0.1861576E+00 Hb(Abramov) -0.3803792E-01 Ex_ueg -0.3987813E-01 Ec_ueg -0.6058236E-02 Delta_ex -0.4442046E-01 Delta_ec 0.1259844E-01 Delta_et -0.1608585E+00 Pxc 0.6582466E+01 Qxc -0.3525871E+01 3,-1 154 3 -1 2.022982 0.846347 -3.017854 Rho 0.1346426E+00 |GRAD(Rho)| 0.6907075E-12 GRAD(Rho)x 0.3468991E-12 GRAD(Rho)y -0.5427421E-12 GRAD(Rho)z 0.2493369E-12 Laplacian 0.5214352E+00 (-1/4)Del**2(Rho)) -0.1303588E+00 Diamond 0.9340174E+00 Metallicity 0.4674303E+01 Ellipticity 0.3136171E-01 Gb(Abramov) 0.1884620E+00 Vb(Abramov) -0.2465651E+00 Hb(Abramov) -0.5810315E-01 Ex_ueg -0.5096769E-01 Ec_ueg -0.7467789E-02 Delta_ex -0.5460846E-01 Delta_ec 0.1370568E-01 Delta_et -0.1797923E+00 Pxc 0.6825004E+01 Qxc -0.3984368E+01 3,-1 155 3 +1 1.364062 1.068056 -2.185345 Rho 0.2843578E-01 |GRAD(Rho)| 0.7686806E-15 GRAD(Rho)x 0.5131543E-15 GRAD(Rho)y -0.3495515E-15 GRAD(Rho)z -0.4531624E-15 Laplacian 0.1140674E+00 (-1/4)Del**2(Rho)) -0.2851684E-01 Diamond 0.1860417E-01 Metallicity 0.1600395E+01 Ellipticity -0.5662954E+01 Gb(Abramov) 0.2661759E-01 Vb(Abramov) -0.2471835E-01 Hb(Abramov) 0.1899246E-02 Ex_ueg -0.6410206E-02 Ec_ueg -0.1263209E-02 Delta_ex -0.7415950E-02 Delta_ec 0.2064695E-02 Delta_et -0.1878490E-01 Pxc 0.5074541E+01 Qxc -0.3591789E+01 3,+1 156 3 -1 1.738215 1.701926 -0.564659 Rho 0.3700185E-01 |GRAD(Rho)| 0.5086501E-14 GRAD(Rho)x 0.3283305E-14 GRAD(Rho)y 0.3521852E-14 GRAD(Rho)z 0.1639806E-14 Laplacian 0.1432604E+00 (-1/4)Del**2(Rho)) -0.3581510E-01 Diamond 0.4679128E-01 Metallicity 0.1976329E+01 Ellipticity 0.2273877E-01 Gb(Abramov) 0.3567381E-01 Vb(Abramov) -0.3553251E-01 Hb(Abramov) 0.1412962E-03 Ex_ueg -0.9106460E-02 Ec_ueg -0.1710113E-02 Delta_ex -0.1084783E-01 Delta_ec 0.4112084E-02 Delta_et -0.4000280E-01 Pxc 0.5325063E+01 Qxc -0.2638036E+01 3,-1 157 3 +3 1.933150 1.893877 -1.881195 Rho 0.1191395E-01 |GRAD(Rho)| 0.8059552E-17 GRAD(Rho)x 0.3099818E-17 GRAD(Rho)y -0.4344737E-18 GRAD(Rho)z -0.7426893E-17 Laplacian 0.5568216E-01 (-1/4)Del**2(Rho)) -0.1392054E-01 Diamond 0.1300885E-02 Metallicity 0.7691130E+00 Ellipticity -0.7163738E+00 Gb(Abramov) 0.1106477E-01 Vb(Abramov) -0.8209003E-02 Hb(Abramov) 0.2855769E-02 Ex_ueg -0.2009677E-02 Ec_ueg -0.4555982E-03 Delta_ex -0.2466798E-02 Delta_ec 0.2495542E-03 Delta_et -0.2232978E-02 Pxc 0.4411073E+01 Qxc -0.9884816E+01 3,+3 158 3 +1 1.296119 2.132839 -1.133537 Rho 0.2612411E-01 |GRAD(Rho)| 0.3911974E-14 GRAD(Rho)x 0.2602213E-14 GRAD(Rho)y 0.2806327E-14 GRAD(Rho)z 0.8102804E-15 Laplacian 0.1037604E+00 (-1/4)Del**2(Rho)) -0.2594010E-01 Diamond 0.1544610E-01 Metallicity 0.1527510E+01 Ellipticity -0.6188121E+01 Gb(Abramov) 0.2389736E-01 Vb(Abramov) -0.2185462E-01 Hb(Abramov) 0.2042741E-02 Ex_ueg -0.5724977E-02 Ec_ueg -0.1145476E-02 Delta_ex -0.6635007E-02 Delta_ec 0.1948746E-02 Delta_et -0.1734971E-01 Pxc 0.4997901E+01 Qxc -0.3404758E+01 3,+1 159 3 +1 1.876499 -1.754063 -1.850944 Rho 0.1303798E-01 |GRAD(Rho)| 0.3018089E-16 GRAD(Rho)x 0.1962982E-16 GRAD(Rho)y 0.1507969E-16 GRAD(Rho)z 0.1726730E-16 Laplacian 0.5846071E-01 (-1/4)Del**2(Rho)) -0.1461518E-01 Diamond 0.2688019E-02 Metallicity 0.8513330E+00 Ellipticity -0.1431544E+01 Gb(Abramov) 0.1181718E-01 Vb(Abramov) -0.9019187E-02 Hb(Abramov) 0.2797996E-02 Ex_ueg -0.2266376E-02 Ec_ueg -0.5076952E-03 Delta_ex -0.2953692E-02 Delta_ec 0.7879355E-03 Delta_et -0.6007472E-02 Pxc 0.4464049E+01 Qxc -0.3748648E+01 3,+1 160 3 -1 2.010327 2.994783 -0.834905 Rho 0.1476776E+00 |GRAD(Rho)| 0.6171421E-15 GRAD(Rho)x 0.1598385E-15 GRAD(Rho)y -0.5219349E-15 GRAD(Rho)z 0.2879234E-15 Laplacian 0.5821306E+00 (-1/4)Del**2(Rho)) -0.1455327E+00 Diamond 0.1156157E+01 Metallicity 0.4884093E+01 Ellipticity 0.4112361E-01 Gb(Abramov) 0.2154876E+00 Vb(Abramov) -0.2854426E+00 Hb(Abramov) -0.6995496E-01 Ex_ueg -0.5765072E-01 Ec_ueg -0.8295016E-02 Delta_ex -0.6225971E-01 Delta_ec 0.1479767E-01 Delta_et -0.1964883E+00 Pxc 0.6950043E+01 Qxc -0.4207400E+01 3,-1 161 3 -1 1.837176 2.800248 0.565111 Rho 0.1155583E+00 |GRAD(Rho)| 0.1055562E-13 GRAD(Rho)x -0.7351094E-14 GRAD(Rho)y -0.7528744E-14 GRAD(Rho)z -0.8370041E-15 Laplacian 0.4844631E+00 (-1/4)Del**2(Rho)) -0.1211158E+00 Diamond 0.7174853E+00 Metallicity 0.3899608E+01 Ellipticity 0.8443032E-02 Gb(Abramov) 0.1594612E+00 Vb(Abramov) -0.1978066E+00 Hb(Abramov) -0.3834542E-01 Ex_ueg -0.4157062E-01 Ec_ueg -0.6276795E-02 Delta_ex -0.4884882E-01 Delta_ec 0.1308270E-01 Delta_et -0.1670324E+00 Pxc 0.6622906E+01 Qxc -0.3733849E+01 3,-1 162 3 -1 1.775739 0.567515 2.817081 Rho 0.1172014E+00 |GRAD(Rho)| 0.1214345E-15 GRAD(Rho)x 0.5271933E-17 GRAD(Rho)y 0.1193300E-15 GRAD(Rho)z -0.2188394E-16 Laplacian 0.5069926E+00 (-1/4)Del**2(Rho)) -0.1267482E+00 Diamond 0.7881625E+00 Metallicity 0.3815045E+01 Ellipticity 0.1676963E-01 Gb(Abramov) 0.1650904E+00 Vb(Abramov) -0.2034327E+00 Hb(Abramov) -0.3834226E-01 Ex_ueg -0.4236061E-01 Ec_ueg -0.6378351E-02 Delta_ex -0.5163064E-01 Delta_ec 0.1425067E-01 Delta_et -0.1833619E+00 Pxc 0.6641311E+01 Qxc -0.3623031E+01 3,-1 163 3 +1 2.186093 1.066501 -1.387542 Rho 0.2348494E-01 |GRAD(Rho)| 0.1658965E-13 GRAD(Rho)x 0.6716124E-14 GRAD(Rho)y -0.8296409E-14 GRAD(Rho)z -0.1269959E-13 Laplacian 0.8943785E-01 (-1/4)Del**2(Rho)) -0.2235946E-01 Diamond 0.1037737E-01 Metallicity 0.1483909E+01 Ellipticity -0.3105685E+01 Gb(Abramov) 0.2043621E-01 Vb(Abramov) -0.1851296E-01 Hb(Abramov) 0.1923251E-02 Ex_ueg -0.4967115E-02 Ec_ueg -0.1012740E-02 Delta_ex -0.5428633E-02 Delta_ec 0.1442716E-02 Delta_et -0.1256152E-01 Pxc 0.4904632E+01 Qxc -0.3762788E+01 3,+1 164 3 -1 2.819307 1.842755 0.571583 Rho 0.1529564E+00 |GRAD(Rho)| 0.2370884E-12 GRAD(Rho)x -0.2991452E-13 GRAD(Rho)y 0.1703730E-12 GRAD(Rho)z -0.1621390E-12 Laplacian 0.6319702E+00 (-1/4)Del**2(Rho)) -0.1579925E+00 Diamond 0.1304368E+01 Metallicity 0.4770121E+01 Ellipticity 0.1175133E-01 Gb(Abramov) 0.2309356E+00 Vb(Abramov) -0.3038787E+00 Hb(Abramov) -0.7294308E-01 Ex_ueg -0.6041461E-01 Ec_ueg -0.8633035E-02 Delta_ex -0.6812947E-01 Delta_ec 0.1584073E-01 Delta_et -0.2111624E+00 Pxc 0.6998073E+01 Qxc -0.4300906E+01 3,-1 165 3 -1 2.838517 -1.801112 -0.595343 Rho 0.1159820E+00 |GRAD(Rho)| 0.4526335E-15 GRAD(Rho)x 0.1892272E-16 GRAD(Rho)y -0.3036444E-15 GRAD(Rho)z 0.3351404E-15 Laplacian 0.4960022E+00 (-1/4)Del**2(Rho)) -0.1240005E+00 Diamond 0.7625553E+00 Metallicity 0.3832190E+01 Ellipticity 0.2199834E-01 Gb(Abramov) 0.1618660E+00 Vb(Abramov) -0.1997314E+00 Hb(Abramov) -0.3786543E-01 Ex_ueg -0.4177396E-01 Ec_ueg -0.6302963E-02 Delta_ex -0.5040303E-01 Delta_ec 0.1400297E-01 Delta_et -0.1798662E+00 Pxc 0.6627671E+01 Qxc -0.3599453E+01 3,-1 166 3 -1 2.796288 0.596119 1.840119 Rho 0.1168862E+00 |GRAD(Rho)| 0.2513987E-09 GRAD(Rho)x 0.5747177E-10 GRAD(Rho)y 0.1695485E-09 GRAD(Rho)z -0.1764982E-09 Laplacian 0.5062960E+00 (-1/4)Del**2(Rho)) -0.1265740E+00 Diamond 0.7885066E+00 Metallicity 0.3803187E+01 Ellipticity 0.1472762E-01 Gb(Abramov) 0.1646134E+00 Vb(Abramov) -0.2026528E+00 Hb(Abramov) -0.3803943E-01 Ex_ueg -0.4220879E-01 Ec_ueg -0.6358856E-02 Delta_ex -0.5158222E-01 Delta_ec 0.1433834E-01 Delta_et -0.1845467E+00 Pxc 0.6637796E+01 Qxc -0.3597503E+01 3,-1 167 3 -1 3.013080 0.841153 -2.011588 Rho 0.8543375E-01 |GRAD(Rho)| 0.1364700E-15 GRAD(Rho)x 0.1109410E-15 GRAD(Rho)y 0.6500808E-16 GRAD(Rho)z 0.4571776E-16 Laplacian 0.3419965E+00 (-1/4)Del**2(Rho)) -0.8549913E-01 Diamond 0.3479634E+00 Metallicity 0.3339186E+01 Ellipticity 0.4976343E-02 Gb(Abramov) 0.1045823E+00 Vb(Abramov) -0.1236655E+00 Hb(Abramov) -0.1908321E-01 Ex_ueg -0.2779016E-01 Ec_ueg -0.4451483E-02 Delta_ex -0.3206301E-01 Delta_ec 0.9725641E-02 Delta_et -0.1167939E+00 Pxc 0.6242899E+01 Qxc -0.3296750E+01 3,-1 168 3 -1 3.236440 3.232787 0.056174 Rho 0.2323503E+00 |GRAD(Rho)| 0.3104362E-12 GRAD(Rho)x -0.2065731E-12 GRAD(Rho)y -0.2235525E-12 GRAD(Rho)z -0.6101199E-13 Laplacian 0.8448326E+00 (-1/4)Del**2(Rho)) -0.2112081E+00 Diamond 0.2880919E+01 Metallicity 0.7162772E+01 Ellipticity 0.1267797E-02 Gb(Abramov) 0.3929447E+00 Vb(Abramov) -0.5746813E+00 Hb(Abramov) -0.1817366E+00 Ex_ueg -0.1054976E+00 Ec_ueg -0.1391191E-01 Delta_ex -0.1012547E+00 Delta_ec 0.1891351E-01 Delta_et -0.2619636E+00 Pxc 0.7583257E+01 Qxc -0.5353569E+01 3,-1 169 3 -1 3.257104 -3.249449 -0.061280 Rho 0.2082940E+00 |GRAD(Rho)| 0.2343352E-12 GRAD(Rho)x -0.1610834E-12 GRAD(Rho)y 0.1655938E-12 GRAD(Rho)z 0.3929097E-13 Laplacian 0.7839969E+00 (-1/4)Del**2(Rho)) -0.1959992E+00 Diamond 0.2338701E+01 Metallicity 0.6433193E+01 Ellipticity 0.5791822E-02 Gb(Abramov) 0.3408163E+00 Vb(Abramov) -0.4856334E+00 Hb(Abramov) -0.1448171E+00 Ex_ueg -0.9119142E-01 Ec_ueg -0.1227497E-01 Delta_ex -0.9131201E-01 Delta_ec 0.1804366E-01 Delta_et -0.2481110E+00 Pxc 0.7429056E+01 Qxc -0.5060616E+01 3,-1 170 3 -1 2.823361 -0.581593 -1.869430 Rho 0.1502144E+00 |GRAD(Rho)| 0.5310423E-09 GRAD(Rho)x 0.1435614E-09 GRAD(Rho)y -0.3167781E-09 GRAD(Rho)z 0.4013074E-09 Laplacian 0.6068401E+00 (-1/4)Del**2(Rho)) -0.1517100E+00 Diamond 0.1232307E+01 Metallicity 0.4820121E+01 Ellipticity 0.1739466E-01 Gb(Abramov) 0.2230168E+00 Vb(Abramov) -0.2943236E+00 Hb(Abramov) -0.7130677E-01 Ex_ueg -0.5897487E-01 Ec_ueg -0.8457237E-02 Delta_ex -0.6519610E-01 Delta_ec 0.1539918E-01 Delta_et -0.2050520E+00 Pxc 0.6973302E+01 Qxc -0.4233739E+01 3,-1 171 3 -1 3.044474 -2.013818 0.867372 Rho 0.1276018E+00 |GRAD(Rho)| 0.8549489E-16 GRAD(Rho)x -0.4724411E-16 GRAD(Rho)y 0.4193152E-16 GRAD(Rho)z -0.5761179E-16 Laplacian 0.5203009E+00 (-1/4)Del**2(Rho)) -0.1300752E+00 Diamond 0.8871704E+00 Metallicity 0.4283382E+01 Ellipticity 0.7468723E-02 Gb(Abramov) 0.1795771E+00 Vb(Abramov) -0.2290790E+00 Hb(Abramov) -0.4950191E-01 Ex_ueg -0.4744542E-01 Ec_ueg -0.7025530E-02 Delta_ex -0.5395519E-01 Delta_ec 0.1414844E-01 Delta_et -0.1845155E+00 Pxc 0.6753287E+01 Qxc -0.3813508E+01 3,-1 172 3 -1 3.051020 2.018398 -0.843051 Rho 0.1773032E+00 |GRAD(Rho)| 0.1645249E-14 GRAD(Rho)x 0.1389947E-14 GRAD(Rho)y 0.8795048E-15 GRAD(Rho)z 0.3688998E-16 Laplacian 0.6884496E+00 (-1/4)Del**2(Rho)) -0.1721124E+00 Diamond 0.1701179E+01 Metallicity 0.5601038E+01 Ellipticity 0.4660149E-01 Gb(Abramov) 0.2754096E+00 Vb(Abramov) -0.3787068E+00 Hb(Abramov) -0.1032972E+00 Ex_ueg -0.7356542E-01 Ec_ueg -0.1021366E-01 Delta_ex -0.7703622E-01 Delta_ec 0.1667771E-01 Delta_et -0.2264874E+00 Pxc 0.7202650E+01 Qxc -0.4619112E+01 3,-1 173 3 -1 -3.288259 3.200370 -0.075671 Rho 0.2024551E+00 |GRAD(Rho)| 0.3057750E-15 GRAD(Rho)x -0.1894101E-15 GRAD(Rho)y 0.2253514E-15 GRAD(Rho)z 0.8269752E-16 Laplacian 0.7675505E+00 (-1/4)Del**2(Rho)) -0.1918876E+00 Diamond 0.2210814E+01 Metallicity 0.6266919E+01 Ellipticity 0.8363472E-02 Gb(Abramov) 0.3283491E+00 Vb(Abramov) -0.4648106E+00 Hb(Abramov) -0.1364615E+00 Ex_ueg -0.8779909E-01 Ec_ueg -0.1188248E-01 Delta_ex -0.8873453E-01 Delta_ec 0.1778239E-01 Delta_et -0.2439314E+00 Pxc 0.7388953E+01 Qxc -0.4990022E+01 3,-1 174 3 -1 -2.831688 -1.765194 0.579393 Rho 0.1432407E+00 |GRAD(Rho)| 0.2095549E-13 GRAD(Rho)x 0.5215114E-15 GRAD(Rho)y -0.1465799E-13 GRAD(Rho)z -0.1496676E-13 Laplacian 0.5954079E+00 (-1/4)Del**2(Rho)) -0.1488520E+00 Diamond 0.1138952E+01 Metallicity 0.4538468E+01 Ellipticity 0.1956485E-01 Gb(Abramov) 0.2118280E+00 Vb(Abramov) -0.2748040E+00 Hb(Abramov) -0.6297600E-01 Ex_ueg -0.5535289E-01 Ec_ueg -0.8012235E-02 Delta_ex -0.6319486E-01 Delta_ec 0.1522993E-01 Delta_et -0.2013004E+00 Pxc 0.6908545E+01 Qxc -0.4149387E+01 3,-1 175 3 -1 0.831630 2.982976 -1.961100 Rho 0.1209042E+00 |GRAD(Rho)| 0.1385073E-15 GRAD(Rho)x 0.3278356E-16 GRAD(Rho)y 0.1343801E-15 GRAD(Rho)z -0.7176063E-17 Laplacian 0.4762493E+00 (-1/4)Del**2(Rho)) -0.1190623E+00 Diamond 0.7451312E+00 Metallicity 0.4277411E+01 Ellipticity 0.2599379E-01 Gb(Abramov) 0.1642546E+00 Vb(Abramov) -0.2094469E+00 Hb(Abramov) -0.4519230E-01 Ex_ueg -0.4415434E-01 Ec_ueg -0.6607904E-02 Delta_ex -0.4854540E-01 Delta_ec 0.1273553E-01 Delta_et -0.1639172E+00 Pxc 0.6682050E+01 Qxc -0.3811808E+01 3,-1 176 3 -1 0.579732 2.825152 1.810633 Rho 0.1572033E+00 |GRAD(Rho)| 0.5169763E-13 GRAD(Rho)x -0.3410634E-13 GRAD(Rho)y -0.7370054E-14 GRAD(Rho)z 0.3814557E-13 Laplacian 0.6481160E+00 (-1/4)Del**2(Rho)) -0.1620290E+00 Diamond 0.1386170E+01 Metallicity 0.4868515E+01 Ellipticity 0.1986814E-01 Gb(Abramov) 0.2394928E+00 Vb(Abramov) -0.3169566E+00 Hb(Abramov) -0.7746377E-01 Ex_ueg -0.6266148E-01 Ec_ueg -0.8906212E-02 Delta_ex -0.7037987E-01 Delta_ec 0.1619642E-01 Delta_et -0.2168379E+00 Pxc 0.7035704E+01 Qxc -0.4345398E+01 3,-1 177 3 -1 1.113706 -2.564192 -1.837898 Rho 0.3171460E+00 |GRAD(Rho)| 0.4581492E-15 GRAD(Rho)x -0.3064671E-16 GRAD(Rho)y -0.4425269E-15 GRAD(Rho)z -0.1145925E-15 Laplacian -0.1572834E+01 (-1/4)Del**2(Rho)) 0.3932086E+00 Diamond 0.5450936E+01 Metallicity -0.6461930E+01 Ellipticity 0.4559620E-02 Gb(Abramov) 0.1613420E+00 Vb(Abramov) -0.7158926E+00 Hb(Abramov) -0.5545506E+00 Ex_ueg -0.1597340E+00 Ec_ueg -0.1993535E-01 Delta_ex 0.1560296E+00 Delta_ec 0.5495999E-01 Delta_et -0.1299529E+01 Pxc 0.8012602E+01 Qxc 0.2838968E+01 3,-1 178 3 -1 1.965188 -0.896054 3.035182 Rho 0.1124684E+00 |GRAD(Rho)| 0.3285715E-15 GRAD(Rho)x -0.1622915E-15 GRAD(Rho)y -0.2747097E-15 GRAD(Rho)z 0.7845558E-16 Laplacian 0.4620207E+00 (-1/4)Del**2(Rho)) -0.1155052E+00 Diamond 0.6843559E+00 Metallicity 0.3908432E+01 Ellipticity 0.8261950E-02 Gb(Abramov) 0.1522441E+00 Vb(Abramov) -0.1889831E+00 Hb(Abramov) -0.3673896E-01 Ex_ueg -0.4009520E-01 Ec_ueg -0.6086343E-02 Delta_ex -0.4661048E-01 Delta_ec 0.1313072E-01 Delta_et -0.1676783E+00 Pxc 0.6587732E+01 Qxc -0.3549728E+01 3,-1 179 3 -1 1.918946 -0.619776 -2.963067 Rho 0.2200597E+00 |GRAD(Rho)| 0.1778300E-13 GRAD(Rho)x 0.1544479E-13 GRAD(Rho)y 0.2877960E-14 GRAD(Rho)z -0.8331335E-14 Laplacian 0.8393752E+00 (-1/4)Del**2(Rho)) -0.2098438E+00 Diamond 0.2664525E+01 Metallicity 0.6585032E+01 Ellipticity 0.1727169E-01 Gb(Abramov) 0.3702006E+00 Vb(Abramov) -0.5305573E+00 Hb(Abramov) -0.1603568E+00 Ex_ueg -0.9812336E-01 Ec_ueg -0.1307160E-01 Delta_ex -0.9909392E-01 Delta_ec 0.1891025E-01 Delta_et -0.2604933E+00 Pxc 0.7506607E+01 Qxc -0.5240222E+01 3,-1 180 3 -1 3.026967 -0.871052 2.027033 Rho 0.1294113E+00 |GRAD(Rho)| 0.1586937E-15 GRAD(Rho)x -0.1883801E-17 GRAD(Rho)y 0.1265399E-15 GRAD(Rho)z 0.9574860E-16 Laplacian 0.5247539E+00 (-1/4)Del**2(Rho)) -0.1311885E+00 Diamond 0.9097128E+00 Metallicity 0.4347885E+01 Ellipticity 0.8124983E-02 Gb(Abramov) 0.1825244E+00 Vb(Abramov) -0.2338603E+00 Hb(Abramov) -0.5133590E-01 Ex_ueg -0.4834462E-01 Ec_ueg -0.7138879E-02 Delta_ex -0.5459661E-01 Delta_ec 0.1421548E-01 Delta_et -0.1858222E+00 Pxc 0.6772018E+01 Qxc -0.3840645E+01 3,-1 181 3 -1 3.273716 -0.033654 -3.253248 Rho 0.2265905E+00 |GRAD(Rho)| 0.8178312E-15 GRAD(Rho)x -0.7823603E-15 GRAD(Rho)y 0.1116728E-16 GRAD(Rho)z 0.2379824E-15 Laplacian 0.8308761E+00 (-1/4)Del**2(Rho)) -0.2077190E+00 Diamond 0.2747815E+01 Metallicity 0.6984680E+01 Ellipticity 0.1096325E-01 Gb(Abramov) 0.3802878E+00 Vb(Abramov) -0.5528567E+00 Hb(Abramov) -0.1725688E+00 Ex_ueg -0.1020252E+00 Ec_ueg -0.1351708E-01 Delta_ex -0.9892803E-01 Delta_ec 0.1872432E-01 Delta_et -0.2589832E+00 Pxc 0.7547871E+01 Qxc -0.5283398E+01 3,-1 182 3 -1 3.199770 0.060579 3.278638 Rho 0.2087593E+00 |GRAD(Rho)| 0.5573002E-15 GRAD(Rho)x 0.2663885E-15 GRAD(Rho)y 0.9828293E-16 GRAD(Rho)z 0.4795426E-15 Laplacian 0.7833132E+00 (-1/4)Del**2(Rho)) -0.1958283E+00 Diamond 0.2344725E+01 Metallicity 0.6462801E+01 Ellipticity 0.4016957E-02 Gb(Abramov) 0.3414854E+00 Vb(Abramov) -0.4871426E+00 Hb(Abramov) -0.1456571E+00 Ex_ueg -0.9146316E-01 Ec_ueg -0.1230633E-01 Delta_ex -0.9129615E-01 Delta_ec 0.1803714E-01 Delta_et -0.2481352E+00 Pxc 0.7432204E+01 Qxc -0.5061563E+01 3,-1 183 3 -1 -0.827909 -3.480927 -1.233512 Rho 0.3092909E+00 |GRAD(Rho)| 0.5740525E-15 GRAD(Rho)x -0.2730318E-15 GRAD(Rho)y -0.6105053E-16 GRAD(Rho)z -0.5012612E-15 Laplacian -0.1567611E+01 (-1/4)Del**2(Rho)) 0.3919028E+00 Diamond 0.5278178E+01 Metallicity -0.6218037E+01 Ellipticity 0.3893621E-02 Gb(Abramov) 0.1448758E+00 Vb(Abramov) -0.6816544E+00 Hb(Abramov) -0.5367786E+00 Ex_ueg -0.1544808E+00 Ec_ueg -0.1936068E-01 Delta_ex 0.1539597E+00 Delta_ec 0.5482562E-01 Delta_et -0.1282866E+01 Pxc 0.7979101E+01 Qxc 0.2808170E+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 79 131 119 113 144 139 128 136 122 137 123 141 129 116 143 175 135 130 142 176 115 117 134 132 165 153 171 152 169 156 164 161 172 160 168 95 75 99 76 100 173 57 174 98 74 96 72 107 69 63 58 81 65 62 83 108 70 92 68 148 166 162 180 178 182 151 170 179 167 154 181 97 118 60 88 145 104 177 112 183 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 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 36 52 24 52 53 53 2.382048 1.976855 1.904831 1.919469 1.919183 1.756915 1.717067 1.689597 1.721246 1.724744 2.390999 1.867316 1.893326 1.978092 2.010420 1.757814 2.412813 1.916418 1.896018 2.020149 1.892050 1.758337 2.424494 2.009785 2.044600 1.984815 2.039133 1.798002 2.497812 1.908004 2.016590 1.859490 1.930543 1.755776 2.426508 1.869052 2.032316 2.055776 2.110488 1.808535 2.317993 1.931627 1.999798 1.874901 1.954199 1.755956 2.443848 2.162607 2.074268 2.093444 1.819525 1.819553 2.384448 1.973364 1.932323 1.905287 1.920082 1.754806 2.459004 2.005469 2.006002 1.979529 2.032048 1.797037 2.450407 1.916838 1.777572 2.150080 1.968349 1.765441 3.349681 3.067225 3.244343 3.336533 1.778693 3.213412 0.998529 1.800714 1.006559 2.383707 1.977210 1.905358 1.919990 1.919658 1.756925 1.717081 1.689640 1.721260 1.724761 2.392762 1.867611 1.893655 1.978673 2.010987 1.757826 2.414548 1.916768 1.896422 2.020616 1.892499 1.758347 2.426399 2.010189 2.045132 1.985097 2.039417 1.798005 2.499428 1.908388 2.016987 1.859846 1.931128 1.755792 2.428153 1.869196 2.032485 2.056031 2.110775 1.808554 2.320251 1.932156 2.000221 1.875362 1.955243 1.755973 2.446238 2.162831 2.074457 2.093706 1.819564 1.819587 2.386183 1.973805 1.932869 1.905787 1.920618 1.754817 2.461084 2.005734 2.006285 1.979822 2.032338 1.797041 2.451980 1.917117 1.777631 2.150604 1.968931 1.765464 3.395779 3.071005 3.254262 3.338400 1.783095 3.217278 0.998584 1.801703 1.006662 29 27 27 27 26 23 23 22 26 24 29 25 27 25 25 24 31 28 25 28 27 25 29 27 26 25 24 22 29 25 29 22 27 25 31 25 28 28 29 23 30 25 27 26 27 23 31 28 27 27 23 24 30 27 26 26 28 24 29 27 27 24 25 25 29 25 22 27 25 23 37 33 35 37 25 35 18 26 18 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 W W Ta W Ta W Ta W Ta W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.4353 2.4666 2.4249 2.4341 2.1936 2.4151 2.1676 2.4357 2.0551 2.4288 2.2144 2.3380 -1.1164 -1.0159 -1.1019 -1.1155 -0.9666 -1.0054 -0.9949 -0.9901 -0.8515 -0.9877 -0.9763 -0.9689 -0.9850 -0.9726 -0.9725 -0.9102 -1.0397 -0.9971 -0.9747 -1.0006 -1.0080 -1.0126 -0.9889 -0.9693 -0.8359 -1.0034 -1.0076 -0.9978 -0.8535 -0.8767 -0.8573 -0.8604 -0.9533 -0.8541 -0.9746 -0.8446 -0.9969 -0.8467 -0.9523 0.3079 0.3200 2.1032 0.8482 2.1075 2.1021 2.1192 2.1063 2.1136 2.1206 2.1457 2.1034 2.1080 2.1308 1.9342 1.9501 1.9373 1.9329 1.9292 1.9260 1.9286 1.9269 1.9595 1.9279 1.9306 1.9289 1.9285 1.9287 1.9295 1.8718 1.9293 1.9373 1.9404 1.9363 1.9351 1.9354 1.9370 1.9323 1.8736 1.9373 1.9355 1.9356 1.9555 1.9522 1.9559 1.9545 1.9383 1.9557 1.9364 1.9556 1.9318 1.9562 1.9395 0.5420 0.5339 6.0953 1.1412 6.1029 6.0957 6.0895 6.1009 6.0785 6.0984 6.1000 6.0966 6.0756 6.1209 5.1467 5.0294 5.1287 5.1466 5.0086 5.0525 5.0416 5.0362 4.8578 5.0332 5.0179 5.0113 5.0288 5.0141 5.0141 5.0104 5.0847 5.0304 5.0048 5.0356 5.0446 5.0484 5.0216 5.0134 4.9331 5.0387 5.0442 5.0329 4.8656 4.8934 4.8691 4.8738 4.9892 4.8657 5.0134 4.8567 5.0416 4.8578 4.9868 0.1501 0.1461 3.3363 10.5440 3.3352 3.3384 2.5637 3.3483 2.6061 3.3158 2.6661 3.3416 2.5674 3.3815 0.0354 0.0364 0.0360 0.0360 0.0289 0.0269 0.0247 0.0270 0.0342 0.0267 0.0278 0.0286 0.0277 0.0299 0.0288 0.0279 0.0257 0.0293 0.0295 0.0287 0.0282 0.0288 0.0303 0.0236 0.0293 0.0274 0.0278 0.0294 0.0323 0.0311 0.0322 0.0321 0.0258 0.0326 0.0247 0.0323 0.0235 0.0326 0.0260 0.0000 0.0000 14.0299 0.0000 14.0296 14.0298 14.0339 14.0294 14.0343 14.0295 14.0330 14.0297 14.0345 14.0288 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 W W Ta W Ta W Ta W Ta W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.501815 2.310395 2.497328 2.497255 2.362580 2.494231 2.339843 2.521541 2.331487 2.500975 2.363662 2.466817 -1.099875 -1.029693 -1.087870 -1.097666 -0.986909 -1.019721 -1.053517 -1.013298 -0.839878 -1.014728 -1.000011 -0.990340 -1.011341 -0.984433 -0.992162 -0.651432 -1.055161 -0.993061 -0.985665 -1.006998 -1.012640 -1.001324 -0.988658 -1.059874 -0.660719 -1.013743 -1.008180 -0.995399 -0.903632 -0.933530 -0.906891 -0.912090 -1.047583 -0.903013 -1.073375 -0.891962 -1.104049 -0.894803 -1.040937 0.026846 0.051385 1.923642 1.734763 1.928488 1.928106 1.858283 1.928769 1.821418 1.956760 1.846747 1.927838 1.838711 1.911332 -0.723379 -0.688741 -0.712292 -0.719435 -0.735283 -0.779482 -0.824384 -0.774639 -0.737474 -0.769911 -0.766910 -0.741877 -0.778453 -0.724010 -0.751114 -0.873686 -0.888071 -0.831046 -0.836487 -0.858841 -0.857243 -0.822894 -0.830111 -1.008695 -0.848275 -0.865489 -0.840684 -0.827617 -0.823996 -0.856563 -0.829555 -0.832361 -0.979290 -0.821857 -1.017209 -0.800018 -1.058817 -0.813152 -0.984958 0.285595 0.343850 2.032824 1.673846 2.044875 2.039206 1.961801 2.039333 1.936509 2.056029 1.952260 2.038700 1.960250 2.013785 -0.787394 -0.760293 -0.786360 -0.793426 -0.827599 -0.875579 -0.902755 -0.861082 -0.774928 -0.851616 -0.852742 -0.820375 -0.852021 -0.828905 -0.833039 -0.912471 -0.939709 -0.852186 -0.857814 -0.889575 -0.890964 -0.877716 -0.858178 -1.002269 -0.858674 -0.892716 -0.880411 -0.859437 -0.788533 -0.828041 -0.793068 -0.798057 -0.958661 -0.788700 -0.994646 -0.778073 -1.052844 -0.777909 -0.959428 0.343732 0.405040 4.86792946 -3.85356403 5.18006468 8.08577535 -37.36294059 29.91524384 -48.30793152 33.42530417 12.06906319 3.93763642 -367.9025 417.9228 1.9144 -426.4514 -96.1479 -470.6645 Jun19-2024 22:11:33 Nodes: 1 Procs: 1 Jun19-2024 22:11:36 Nodes: 1 Procs: 1 0 Jun19-2024 22:11:38 Nodes: 1 Procs: 1 Jun19-2024 22:11:41 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:11:44 Nodes: 1 Procs: 1 Jun19-2024 22:11:47 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:11:52 Nodes: 1 Procs: 1 Jun19-2024 22:11:54 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:11:56 Nodes: 1 Procs: 1 Jun19-2024 22:11:59 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 22:12:05 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -16.78792938 -17.11676838 -17.21679550 -17.22566829 -17.23747785 -17.24509324 -17.25003010 -17.25517785 -17.26132254 -17.26452711 -17.26795255 -17.26540897 -17.26938319 -17.27212700 -17.27896486 -17.28265298 -17.28364289 -17.28150989 -17.28484396 -17.28848201 -17.29008679 -17.29255908 -17.29366452 -17.29471581 -17.29521587 -17.29564940 -17.29601194 -17.29616906 -17.29635268 -17.29645793 -17.29649577 -17.29659131 -17.29659906 -17.29660090 GEOMETRY CONVERGED