ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:06:53 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 1.24 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 22:06:53 Nodes: 1 Procs: 1 Jun19-2024 22:06:56 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:06:58 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.05 1.89 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 22:06:53 Nodes: 1 Procs: 1 Jun19-2024 22:06:56 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:58 Nodes: 1 Procs: 1 Jun19-2024 22:07:00 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:07:03 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.82 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 22:06:53 Nodes: 1 Procs: 1 Jun19-2024 22:06:56 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:58 Nodes: 1 Procs: 1 Jun19-2024 22:07:00 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:07:03 Nodes: 1 Procs: 1 Jun19-2024 22:07:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:07:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 1.23 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 22:06:53 Nodes: 1 Procs: 1 Jun19-2024 22:06:56 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:58 Nodes: 1 Procs: 1 Jun19-2024 22:07:00 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:07:03 Nodes: 1 Procs: 1 Jun19-2024 22:07:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:07:10 Nodes: 1 Procs: 1 Jun19-2024 22:07:11 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:07:14 Hydrogen (TZP) c11-45 c11-45 c11-45 c11-45 c11-45 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 2.92 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 22:06:53 Nodes: 1 Procs: 1 Jun19-2024 22:06:56 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:58 Nodes: 1 Procs: 1 Jun19-2024 22:07:00 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:07:03 Nodes: 1 Procs: 1 Jun19-2024 22:07:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:07:10 Nodes: 1 Procs: 1 Jun19-2024 22:07:11 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:07:14 Nodes: 1 Procs: 1 Jun19-2024 22:07:16 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:07:21 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.Ta ADF 2019.304 Jun19-2024 22:07:06 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 22:07:00 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun19-2024 22:07:16 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 22:07:11 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 22:06:56 1 1 Hydrogen TZP 1 1 -16.75455170 0.28608531 0.00100000 F 0.09193749 0.00066667 F 0.28608531 0.09193749 0.28648519 0.01000000 F 0.06273546 0.00666667 F Cartesian 2709.5698000000057 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86.690526 141.609780 17.476927 168.498131 89.990958 46.678731 139.380222 81.429754 85.381527 225.961023 233.678779 3.869582 79.474532 381.224568 154.176908 363.762097 244.064516 407.138832 225.491873 138.041789 74.049651 647.953199 4811.639788 1785.777340 4435.507433 6349.113990 316.802293 1548.944906 107.442877 315.599859 1280.903416 1658.482575 14.397795 408.999823 73.562972 1156.389195 761.558154 71.568164 635.433306 265.305346 542.160929 296.892651 414.098867 41.961247 472.210266 154.722180 147.683558 48.241748 102.877119 25.677996 9.652219 249.246644 1285.921987 1.000000 298.150000 85967.1253 86523.8231 96424.8978 1 NOSYM 298.15 49.555 41.791 235.904 327.250 0.889 0.889 123.873 125.650 2.981 2.981 218.868 224.830 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 -4.955 -4.907 -4.893 -4.871 -4.851 -4.655 -4.576 -4.507 -4.402 -4.056 -1.587 -1.292 -1.177 -1.135 -1.101 -1.049 -0.967 -0.834 -0.741 -0.735 A A A A A A A A A A A A A A A A A A A A 0.00000000061408 0.00040898450630 0.00030643152273 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 73 73 73 73 33 74 74 74 74 74 74 74 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 0.129755 -2.571360 2.606000 -0.061723 2.588378 2.541607 2.637347 2.565203 -0.136667 2.579723 -0.042334 -2.682840 -0.063412 -0.057029 -0.063203 0.151294 2.522746 -2.564865 2.481036 -2.679375 0.025140 -2.560904 2.511802 0.087585 -2.591224 -2.521174 -0.067288 -2.540083 -0.212569 -2.658056 -2.565468 0.147252 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0.190098 -3.811657 3.713555 -0.252966 -3.890308 -3.667135 0.248658 -3.936131 0.426058 -3.546707 -3.845407 -0.211832 3.781848 3.806312 0.188229 3.814957 -0.624311 -3.426631 -1.309805 1 3 -3 0.129755 -2.571360 2.606000 Rho 0.3882646E+07 3,-3 2 3 -3 -0.061723 2.588378 2.541607 Rho 0.3882647E+07 3,-3 3 3 -3 2.637347 2.565203 -0.136667 Rho 0.3882647E+07 3,-3 4 3 -3 2.579723 -0.042334 -2.682840 Rho 0.3882646E+07 3,-3 5 3 -3 -0.063412 -0.057029 -0.063203 Rho 0.4276090E+05 3,-3 6 3 -3 0.151294 2.522746 -2.564865 Rho 0.4361414E+07 3,-3 7 3 -3 2.481036 -2.679375 0.025140 Rho 0.4361415E+07 3,-3 8 3 -3 -2.560904 2.511802 0.087585 Rho 0.4361415E+07 3,-3 9 3 -3 -2.591224 -2.521174 -0.067288 Rho 0.4361415E+07 3,-3 10 3 -3 -2.540083 -0.212569 -2.658056 Rho 0.4361415E+07 3,-3 11 3 -3 -2.565468 0.147252 2.625433 Rho 0.4361415E+07 3,-3 12 3 -3 2.591491 -0.119082 2.572898 Rho 0.4361415E+07 3,-3 13 3 -3 0.942055 -1.039169 0.921736 Rho 0.3190304E+03 3,-3 14 3 -3 -1.091677 -1.026571 -1.013547 Rho 0.3190647E+03 3,-3 15 3 -3 0.946689 0.924870 -1.032918 Rho 0.3190313E+03 3,-3 16 3 -3 -0.980254 0.955014 0.996869 Rho 0.3189998E+03 3,-3 17 3 -3 -3.053375 -1.118389 1.143448 Rho 0.3188796E+03 3,-3 18 3 -3 3.027922 -1.275794 -1.132783 Rho 0.3188060E+03 3,-3 19 3 -3 -3.005210 1.111877 -1.038639 Rho 0.3189616E+03 3,-3 20 3 -3 3.079222 1.171688 1.251537 Rho 0.3188271E+03 3,-3 21 3 -3 1.409017 -1.191124 -3.453226 Rho 0.3191158E+03 3,-3 22 3 -3 1.175045 1.120743 3.060736 Rho 0.3188350E+03 3,-3 23 3 -3 -1.180875 1.126135 -2.971949 Rho 0.3188217E+03 3,-3 24 3 -3 -1.262528 -1.149831 3.063211 Rho 0.3188632E+03 3,-3 25 3 -3 -1.171399 3.003506 -1.130462 Rho 0.3188606E+03 3,-3 26 3 -3 -1.243623 -3.019713 1.180391 Rho 0.3188545E+03 3,-3 27 3 -3 1.174047 3.104160 1.175905 Rho 0.3188394E+03 3,-3 28 3 -3 1.240350 -3.353097 -1.061291 Rho 0.3191809E+03 3,-3 29 3 -3 3.386199 -1.511552 1.582104 Rho 0.3189596E+03 3,-3 30 3 -3 -3.459451 -1.573971 -1.553175 Rho 0.3188941E+03 3,-3 31 3 -3 3.473682 1.566853 -1.523000 Rho 0.3189087E+03 3,-3 32 3 -3 -3.467564 1.506314 1.561643 Rho 0.3189114E+03 3,-3 33 3 -3 1.505521 -1.463443 3.509339 Rho 0.3188730E+03 3,-3 34 3 -3 1.486032 1.589625 -3.489192 Rho 0.3189259E+03 3,-3 35 3 -3 -1.599389 1.493626 3.504434 Rho 0.3189362E+03 3,-3 36 3 -3 -1.915484 -1.382422 -3.828032 Rho 0.3192128E+03 3,-3 37 3 -3 -1.595008 -3.652122 -1.351528 Rho 0.3186822E+03 3,-3 38 3 -3 -1.602801 3.422234 1.526815 Rho 0.3188899E+03 3,-3 39 3 -3 1.561832 -3.476329 1.602024 Rho 0.3188688E+03 3,-3 40 3 -3 1.440627 3.480351 -1.554490 Rho 0.3188978E+03 3,-3 41 3 -3 -0.231385 -3.806272 3.869500 Rho 0.3190841E+03 3,-3 42 3 -3 4.034895 -0.175025 -3.781550 Rho 0.3190161E+03 3,-3 43 3 -3 -0.301698 3.733009 -3.762769 Rho 0.3192038E+03 3,-3 44 3 -3 0.208354 3.820415 3.839424 Rho 0.3190616E+03 3,-3 45 3 -3 3.836375 -3.813271 -0.128089 Rho 0.3191525E+03 3,-3 46 3 -3 3.856027 3.863673 0.190098 Rho 0.3190567E+03 3,-3 47 3 -3 -3.811657 3.713555 -0.252966 Rho 0.3191793E+03 3,-3 48 3 -3 -3.890308 -3.667135 0.248658 Rho 0.3192118E+03 3,-3 49 3 -3 -3.936131 0.426058 -3.546707 Rho 0.3191638E+03 3,-3 50 3 -3 -3.845407 -0.211832 3.781848 Rho 0.3192003E+03 3,-3 51 3 -3 3.806312 0.188229 3.814957 Rho 0.3191825E+03 3,-3 52 3 -3 -0.624311 -3.426631 -1.309805 Rho 0.4417258E+00 3,-3 53 3 -1 -2.980814 0.006953 0.063791 Rho 0.7058542E-02 |GRAD(Rho)| 0.5516173E-16 GRAD(Rho)x 0.1677617E-16 GRAD(Rho)y 0.3498552E-16 GRAD(Rho)z 0.3920957E-16 Laplacian 0.2797952E-01 (-1/4)Del**2(Rho)) -0.6994880E-02 Diamond 0.1232085E-02 Metallicity 0.6396826E+00 Ellipticity 0.7018714E+00 Gb(Abramov) 0.5409004E-02 Vb(Abramov) -0.3823128E-02 Hb(Abramov) 0.1585876E-02 Ex_ueg -0.1000012E-02 Ec_ueg -0.2365482E-03 Delta_ex -0.1603306E-02 Delta_ec 0.1084459E-02 Delta_et -0.6451878E-02 Pxc 0.4227517E+01 Qxc -0.1478439E+01 3,-1 54 3 +1 -1.712546 -0.512151 0.553625 Rho 0.9145327E-02 |GRAD(Rho)| 0.5792901E-17 GRAD(Rho)x 0.4464671E-17 GRAD(Rho)y 0.3421980E-17 GRAD(Rho)z 0.1383645E-17 Laplacian 0.3550830E-01 (-1/4)Del**2(Rho)) -0.8877074E-02 Diamond 0.1035800E-02 Metallicity 0.7761555E+00 Ellipticity -0.1480345E+01 Gb(Abramov) 0.7066381E-02 Vb(Abramov) -0.5255688E-02 Hb(Abramov) 0.1810693E-02 Ex_ueg -0.1412486E-02 Ec_ueg -0.3294451E-03 Delta_ex -0.1648695E-02 Delta_ec 0.5014840E-03 Delta_et -0.3480670E-02 Pxc 0.4287469E+01 Qxc -0.3287632E+01 3,+1 55 3 -1 -1.742101 0.538813 1.773873 Rho 0.4513421E-01 |GRAD(Rho)| 0.5279964E-16 GRAD(Rho)x 0.4140339E-16 GRAD(Rho)y 0.2139118E-16 GRAD(Rho)z -0.2481891E-16 Laplacian 0.1786063E+00 (-1/4)Del**2(Rho)) -0.4465158E-01 Diamond 0.7783391E-01 Metallicity 0.2207460E+01 Ellipticity 0.1416426E-01 Gb(Abramov) 0.4619548E-01 Vb(Abramov) -0.4773938E-01 Hb(Abramov) -0.1543902E-02 Ex_ueg -0.1186842E-01 Ec_ueg -0.2147731E-02 Delta_ex -0.1428221E-01 Delta_ec 0.5242646E-02 Delta_et -0.5379624E-01 Pxc 0.5526028E+01 Qxc -0.2724238E+01 3,-1 56 3 +1 -2.201121 1.243297 1.229359 Rho 0.2686992E-01 |GRAD(Rho)| 0.6322351E-16 GRAD(Rho)x 0.5762768E-16 GRAD(Rho)y -0.1304302E-16 GRAD(Rho)z -0.2249762E-16 Laplacian 0.1061245E+00 (-1/4)Del**2(Rho)) -0.2653111E-01 Diamond 0.1595742E-01 Metallicity 0.1565219E+01 Ellipticity -0.5277887E+01 Gb(Abramov) 0.2460858E-01 Vb(Abramov) -0.2268604E-01 Hb(Abramov) 0.1922538E-02 Ex_ueg -0.5943929E-02 Ec_ueg -0.1183315E-02 Delta_ex -0.6791020E-02 Delta_ec 0.1911469E-02 Delta_et -0.1715164E-01 Pxc 0.5023116E+01 Qxc -0.3552774E+01 3,+1 57 3 -1 -1.804455 -1.733293 -0.526665 Rho 0.5638692E-01 |GRAD(Rho)| 0.5622430E-16 GRAD(Rho)x 0.5149452E-16 GRAD(Rho)y -0.2253446E-16 GRAD(Rho)z -0.1297654E-17 Laplacian 0.2229716E+00 (-1/4)Del**2(Rho)) -0.5574290E-01 Diamond 0.1328003E+00 Metallicity 0.2562482E+01 Ellipticity 0.1971934E-01 Gb(Abramov) 0.6096863E-01 Vb(Abramov) -0.6619436E-01 Hb(Abramov) -0.5225732E-02 Ex_ueg -0.1596943E-01 Ec_ueg -0.2770846E-02 Delta_ex -0.1890895E-01 Delta_ec 0.6618105E-02 Delta_et -0.7198198E-01 Pxc 0.5763378E+01 Qxc -0.2857155E+01 3,-1 58 3 -1 -3.011889 -0.931254 -2.059739 Rho 0.1314137E+00 |GRAD(Rho)| 0.4177065E-13 GRAD(Rho)x -0.2078821E-13 GRAD(Rho)y 0.1654505E-13 GRAD(Rho)z -0.3223196E-13 Laplacian 0.4971568E+00 (-1/4)Del**2(Rho)) -0.1242892E+00 Diamond 0.8726551E+00 Metallicity 0.4708189E+01 Ellipticity 0.3412054E-01 Gb(Abramov) 0.1803890E+00 Vb(Abramov) -0.2364888E+00 Hb(Abramov) -0.5609978E-01 Ex_ueg -0.4934453E-01 Ec_ueg -0.7264561E-02 Delta_ex -0.5185344E-01 Delta_ec 0.1330751E-01 Delta_et -0.1741972E+00 Pxc 0.6792501E+01 Qxc -0.3896555E+01 3,-1 59 3 +3 -1.133616 -1.107590 1.176211 Rho 0.5074714E-02 |GRAD(Rho)| 0.5643054E-17 GRAD(Rho)x -0.2311760E-17 GRAD(Rho)y -0.1962591E-17 GRAD(Rho)z -0.4758998E-17 Laplacian 0.1955017E-01 (-1/4)Del**2(Rho)) -0.4887542E-02 Diamond 0.1387026E-03 Metallicity 0.5282205E+00 Ellipticity -0.8826007E-01 Gb(Abramov) 0.3688645E-02 Vb(Abramov) -0.2489747E-02 Hb(Abramov) 0.1198897E-02 Ex_ueg -0.6440710E-03 Ec_ueg -0.1501294E-03 Delta_ex -0.6776638E-03 Delta_ec 0.8510363E-04 Delta_et -0.6783788E-03 Pxc 0.4290105E+01 Qxc -0.7962807E+01 3,+3 60 3 +3 0.012173 -0.071409 2.333276 Rho 0.4187973E-02 |GRAD(Rho)| 0.6337259E-17 GRAD(Rho)x -0.4759232E-17 GRAD(Rho)y -0.4182341E-17 GRAD(Rho)z 0.1363503E-18 Laplacian 0.1675805E-01 (-1/4)Del**2(Rho)) -0.4189513E-02 Diamond 0.1224087E-03 Metallicity 0.4474345E+00 Ellipticity -0.2296586E+00 Gb(Abramov) 0.3105431E-02 Vb(Abramov) -0.2021349E-02 Hb(Abramov) 0.1084082E-02 Ex_ueg -0.4985671E-03 Ec_ueg -0.1121371E-03 Delta_ex -0.5872949E-03 Delta_ec 0.1380050E-03 Delta_et -0.8705964E-03 Pxc 0.4446049E+01 Qxc -0.4255606E+01 3,+3 61 3 +3 -1.131797 1.116048 -1.123053 Rho 0.5474271E-02 |GRAD(Rho)| 0.2517277E-14 GRAD(Rho)x -0.2228440E-14 GRAD(Rho)y 0.9604396E-15 GRAD(Rho)z -0.6695451E-15 Laplacian 0.2145854E-01 (-1/4)Del**2(Rho)) -0.5364635E-02 Diamond 0.1655428E-03 Metallicity 0.5460388E+00 Ellipticity -0.2252350E+00 Gb(Abramov) 0.4064639E-02 Vb(Abramov) -0.2764644E-02 Hb(Abramov) 0.1299995E-02 Ex_ueg -0.7125578E-03 Ec_ueg -0.1673794E-03 Delta_ex -0.7569214E-03 Delta_ec 0.8845070E-04 Delta_et -0.7284083E-03 Pxc 0.4257143E+01 Qxc -0.8557552E+01 3,+3 62 3 -1 -3.235427 3.159479 -0.095020 Rho 0.2250960E+00 |GRAD(Rho)| 0.1901814E-13 GRAD(Rho)x -0.3667910E-14 GRAD(Rho)y 0.1752781E-13 GRAD(Rho)z 0.6404057E-14 Laplacian 0.8323938E+00 (-1/4)Del**2(Rho)) -0.2080985E+00 Diamond 0.2723653E+01 Metallicity 0.6895470E+01 Ellipticity 0.7385092E-02 Gb(Abramov) 0.3778884E+00 Vb(Abramov) -0.5476784E+00 Hb(Abramov) -0.1697900E+00 Ex_ueg -0.1011289E+00 Ec_ueg -0.1341493E-01 Delta_ex -0.9889623E-01 Delta_ec 0.1871818E-01 Delta_et -0.2585019E+00 Pxc 0.7538536E+01 Qxc -0.5283434E+01 3,-1 63 3 -1 -3.033382 -2.008771 -0.858838 Rho 0.1359281E+00 |GRAD(Rho)| 0.9716913E-13 GRAD(Rho)x 0.4794683E-13 GRAD(Rho)y -0.4135716E-13 GRAD(Rho)z 0.7370568E-13 Laplacian 0.5352077E+00 (-1/4)Del**2(Rho)) -0.1338019E+00 Diamond 0.9635859E+00 Metallicity 0.4626716E+01 Ellipticity 0.6233724E-01 Gb(Abramov) 0.1923785E+00 Vb(Abramov) -0.2509551E+00 Hb(Abramov) -0.5857660E-01 Ex_ueg -0.5161754E-01 Ec_ueg -0.7548888E-02 Delta_ex -0.5611043E-01 Delta_ec 0.1391169E-01 Delta_et -0.1825243E+00 Pxc 0.6837767E+01 Qxc -0.4033329E+01 3,-1 64 3 +1 -0.556569 -0.601247 1.684564 Rho 0.7767259E-02 |GRAD(Rho)| 0.2097345E-12 GRAD(Rho)x 0.6891510E-13 GRAD(Rho)y 0.1615990E-12 GRAD(Rho)z 0.1145645E-12 Laplacian 0.2980353E-01 (-1/4)Del**2(Rho)) -0.7450882E-02 Diamond 0.6922344E-03 Metallicity 0.7043553E+00 Ellipticity -0.1418303E+01 Gb(Abramov) 0.5841933E-02 Vb(Abramov) -0.4232983E-02 Hb(Abramov) 0.1608949E-02 Ex_ueg -0.1136080E-02 Ec_ueg -0.2678764E-03 Delta_ex -0.1325989E-02 Delta_ec 0.4174952E-03 Delta_et -0.2781142E-02 Pxc 0.4241059E+01 Qxc -0.3176058E+01 3,+1 65 3 +1 -0.606655 0.487205 -1.658590 Rho 0.9431527E-02 |GRAD(Rho)| 0.7818598E-14 GRAD(Rho)x -0.7601548E-14 GRAD(Rho)y 0.4809518E-15 GRAD(Rho)z -0.1765115E-14 Laplacian 0.3694845E-01 (-1/4)Del**2(Rho)) -0.9237113E-02 Diamond 0.1159110E-02 Metallicity 0.7852120E+00 Ellipticity -0.1522496E+01 Gb(Abramov) 0.7366924E-02 Vb(Abramov) -0.5496735E-02 Hb(Abramov) 0.1870189E-02 Ex_ueg -0.1471729E-02 Ec_ueg -0.3423368E-03 Delta_ex -0.1743036E-02 Delta_ec 0.5467346E-03 Delta_et -0.3805245E-02 Pxc 0.4299067E+01 Qxc -0.3188085E+01 3,+1 66 3 +1 -0.291031 -0.999209 -2.741962 Rho 0.2672110E-02 |GRAD(Rho)| 0.6140393E-13 GRAD(Rho)x 0.4491863E-13 GRAD(Rho)y -0.3180698E-13 GRAD(Rho)z 0.2722270E-13 Laplacian 0.1008304E-01 (-1/4)Del**2(Rho)) -0.2520761E-02 Diamond 0.7255127E-04 Metallicity 0.3516512E+00 Ellipticity -0.1242656E+01 Gb(Abramov) 0.1828245E-02 Vb(Abramov) -0.1135730E-02 Hb(Abramov) 0.6925155E-03 Ex_ueg -0.2738572E-03 Ec_ueg -0.4815227E-04 Delta_ex -0.3849786E-03 Delta_ec 0.2071022E-03 Delta_et -0.9764487E-03 Pxc 0.5687317E+01 Qxc -0.1858883E+01 3,+1 67 3 +1 -2.253745 -1.200691 -1.343129 Rho 0.3160981E-01 |GRAD(Rho)| 0.1923849E-16 GRAD(Rho)x 0.1120834E-16 GRAD(Rho)y 0.1561895E-16 GRAD(Rho)z 0.7355484E-18 Laplacian 0.1338028E+00 (-1/4)Del**2(Rho)) -0.3345071E-01 Diamond 0.2597253E-01 Metallicity 0.1627488E+01 Ellipticity -0.7074792E+01 Gb(Abramov) 0.3137391E-01 Vb(Abramov) -0.2929711E-01 Hb(Abramov) 0.2076800E-02 Ex_ueg -0.7381551E-02 Ec_ueg -0.1426938E-02 Delta_ex -0.9006614E-02 Delta_ec 0.2525102E-02 Delta_et -0.2356711E-01 Pxc 0.5172999E+01 Qxc -0.3566832E+01 3,+1 68 3 +1 -2.965914 -0.327541 -0.299341 Rho 0.6467231E-02 |GRAD(Rho)| 0.2163433E-13 GRAD(Rho)x -0.2486954E-14 GRAD(Rho)y -0.2132402E-13 GRAD(Rho)z 0.2673165E-14 Laplacian 0.2724047E-01 (-1/4)Del**2(Rho)) -0.6810118E-02 Diamond 0.6196079E-03 Metallicity 0.5678878E+00 Ellipticity -0.1440604E+01 Gb(Abramov) 0.5184642E-02 Vb(Abramov) -0.3559167E-02 Hb(Abramov) 0.1625476E-02 Ex_ueg -0.8899035E-03 Ec_ueg -0.2105901E-03 Delta_ex -0.1241219E-02 Delta_ec 0.5302348E-03 Delta_et -0.3237817E-02 Pxc 0.4225761E+01 Qxc -0.2340885E+01 3,+1 69 3 +1 -0.564692 1.631308 -0.552287 Rho 0.8672459E-02 |GRAD(Rho)| 0.5132841E-12 GRAD(Rho)x 0.1342866E-12 GRAD(Rho)y 0.2636066E-12 GRAD(Rho)z 0.4194511E-12 Laplacian 0.3336956E-01 (-1/4)Del**2(Rho)) -0.8342391E-02 Diamond 0.8957287E-03 Metallicity 0.7559616E+00 Ellipticity -0.1453553E+01 Gb(Abramov) 0.6612682E-02 Vb(Abramov) -0.4882973E-02 Hb(Abramov) 0.1729709E-02 Ex_ueg -0.1315956E-02 Ec_ueg -0.3082233E-03 Delta_ex -0.1524328E-02 Delta_ec 0.4635544E-03 Delta_et -0.3180085E-02 Pxc 0.4269489E+01 Qxc -0.3288348E+01 3,+1 70 3 +1 -2.984939 0.249699 0.321068 Rho 0.6801057E-02 |GRAD(Rho)| 0.2224789E-17 GRAD(Rho)x -0.4402535E-18 GRAD(Rho)y -0.8399458E-18 GRAD(Rho)z 0.2012549E-17 Laplacian 0.2907413E-01 (-1/4)Del**2(Rho)) -0.7268533E-02 Diamond 0.8113659E-03 Metallicity 0.5786293E+00 Ellipticity -0.1744855E+01 Gb(Abramov) 0.5546653E-02 Vb(Abramov) -0.3824773E-02 Hb(Abramov) 0.1721880E-02 Ex_ueg -0.9516712E-03 Ec_ueg -0.2252244E-03 Delta_ex -0.1403979E-02 Delta_ec 0.6797223E-03 Delta_et -0.4138448E-02 Pxc 0.4225435E+01 Qxc -0.2065519E+01 3,+1 71 3 -1 -2.808702 -0.522721 1.837879 Rho 0.1185074E+00 |GRAD(Rho)| 0.1064467E-15 GRAD(Rho)x -0.5708324E-16 GRAD(Rho)y -0.8399179E-16 GRAD(Rho)z 0.3190265E-16 Laplacian 0.4900287E+00 (-1/4)Del**2(Rho)) -0.1225072E+00 Diamond 0.7489810E+00 Metallicity 0.4020693E+01 Ellipticity 0.7432518E-02 Gb(Abramov) 0.1637654E+00 Vb(Abramov) -0.2050236E+00 Hb(Abramov) -0.4125823E-01 Ex_ueg -0.4299116E-01 Ec_ueg -0.6459207E-02 Delta_ex -0.4971937E-01 Delta_ec 0.1317827E-01 Delta_et -0.1690441E+00 Pxc 0.6655795E+01 Qxc -0.3772830E+01 3,-1 72 3 -1 -2.771320 0.483618 -1.800854 Rho 0.8491314E-01 |GRAD(Rho)| 0.1462905E-15 GRAD(Rho)x 0.4351632E-16 GRAD(Rho)y -0.7946185E-16 GRAD(Rho)z -0.1148611E-15 Laplacian 0.3571505E+00 (-1/4)Del**2(Rho)) -0.8928762E-01 Diamond 0.3642934E+00 Metallicity 0.3165095E+01 Ellipticity 0.5319300E-02 Gb(Abramov) 0.1066257E+00 Vb(Abramov) -0.1239638E+00 Hb(Abramov) -0.1733809E-01 Ex_ueg -0.2756459E-01 Ec_ueg -0.4420602E-02 Delta_ex -0.3351331E-01 Delta_ec 0.1030605E-01 Delta_et -0.1237277E+00 Pxc 0.6235484E+01 Qxc -0.3251810E+01 3,-1 73 3 -1 -3.293532 0.131724 -3.135625 Rho 0.2217324E+00 |GRAD(Rho)| 0.6699450E-15 GRAD(Rho)x 0.5689351E-15 GRAD(Rho)y -0.2251617E-15 GRAD(Rho)z 0.2728395E-15 Laplacian 0.8222625E+00 (-1/4)Del**2(Rho)) -0.2055656E+00 Diamond 0.2649481E+01 Metallicity 0.6807452E+01 Ellipticity 0.2079302E-01 Gb(Abramov) 0.3702734E+00 Vb(Abramov) -0.5349812E+00 Hb(Abramov) -0.1647078E+00 Ex_ueg -0.9911908E-01 Ec_ueg -0.1318547E-01 Delta_ex -0.9735523E-01 Delta_ec 0.1864720E-01 Delta_et -0.2576256E+00 Pxc 0.7517293E+01 Qxc -0.5220902E+01 3,-1 74 3 -1 -3.255955 -0.045666 3.249066 Rho 0.2284275E+00 |GRAD(Rho)| 0.4469185E-12 GRAD(Rho)x 0.3243107E-12 GRAD(Rho)y 0.9365712E-13 GRAD(Rho)z -0.2928942E-12 Laplacian 0.8428071E+00 (-1/4)Del**2(Rho)) -0.2107018E+00 Diamond 0.2808335E+01 Metallicity 0.6979091E+01 Ellipticity 0.1803164E-02 Gb(Abramov) 0.3855523E+00 Vb(Abramov) -0.5604028E+00 Hb(Abramov) -0.1748505E+00 Ex_ueg -0.1031295E+00 Ec_ueg -0.1364281E-01 Delta_ex -0.1005241E+00 Delta_ec 0.1888659E-01 Delta_et -0.2610741E+00 Pxc 0.7559257E+01 Qxc -0.5322511E+01 3,-1 75 3 -1 -0.262246 -1.277478 -3.631597 Rho 0.4244885E-02 |GRAD(Rho)| 0.6957564E-17 GRAD(Rho)x -0.6905409E-17 GRAD(Rho)y 0.1495335E-18 GRAD(Rho)z -0.8370635E-18 Laplacian 0.1470952E-01 (-1/4)Del**2(Rho)) -0.3677380E-02 Diamond 0.4054574E-03 Metallicity 0.5213441E+00 Ellipticity 0.1263677E+00 Gb(Abramov) 0.2771117E-02 Vb(Abramov) -0.1864853E-02 Hb(Abramov) 0.9062633E-03 Ex_ueg -0.5076210E-03 Ec_ueg -0.1145633E-03 Delta_ex -0.8592355E-03 Delta_ec 0.7316332E-03 Delta_et -0.3672294E-02 Pxc 0.4430923E+01 Qxc -0.1174408E+01 3,-1 76 3 +1 -1.771744 1.715929 -1.716839 Rho 0.1187046E-01 |GRAD(Rho)| 0.1658095E-16 GRAD(Rho)x -0.1000192E-16 GRAD(Rho)y -0.1193950E-16 GRAD(Rho)z -0.5686646E-17 Laplacian 0.5813785E-01 (-1/4)Del**2(Rho)) -0.1453446E-01 Diamond 0.2277017E-02 Metallicity 0.7321503E+00 Ellipticity -0.1272776E+01 Gb(Abramov) 0.1146321E-01 Vb(Abramov) -0.8391957E-02 Hb(Abramov) 0.3071252E-02 Ex_ueg -0.1999901E-02 Ec_ueg -0.4535924E-03 Delta_ex -0.2844241E-02 Delta_ec 0.7451224E-03 Delta_et -0.5579704E-02 Pxc 0.4409027E+01 Qxc -0.3817146E+01 3,+1 77 3 +1 -1.821410 -1.746308 1.788378 Rho 0.1210436E-01 |GRAD(Rho)| 0.1054958E-14 GRAD(Rho)x -0.9019317E-15 GRAD(Rho)y 0.3921658E-15 GRAD(Rho)z -0.3816558E-15 Laplacian 0.5940596E-01 (-1/4)Del**2(Rho)) -0.1485149E-01 Diamond 0.2350745E-02 Metallicity 0.7402069E+00 Ellipticity -0.1256226E+01 Gb(Abramov) 0.1173319E-01 Vb(Abramov) -0.8614888E-02 Hb(Abramov) 0.3118301E-02 Ex_ueg -0.2052616E-02 Ec_ueg -0.4643890E-03 Delta_ex -0.2910147E-02 Delta_ec 0.7414560E-03 Delta_et -0.5594134E-02 Pxc 0.4420036E+01 Qxc -0.3924909E+01 3,+1 78 3 -1 -3.029132 0.868247 2.047216 Rho 0.1416805E+00 |GRAD(Rho)| 0.6845550E-12 GRAD(Rho)x -0.3057951E-12 GRAD(Rho)y 0.4777969E-12 GRAD(Rho)z -0.3831643E-12 Laplacian 0.5606771E+00 (-1/4)Del**2(Rho)) -0.1401693E+00 Diamond 0.1056708E+01 Metallicity 0.4732426E+01 Ellipticity 0.4911327E-01 Gb(Abramov) 0.2040030E+00 Vb(Abramov) -0.2678367E+00 Hb(Abramov) -0.6383369E-01 Ex_ueg -0.5455047E-01 Ec_ueg -0.7913092E-02 Delta_ex -0.5933040E-01 Delta_ec 0.1434575E-01 Delta_et -0.1892356E+00 Pxc 0.6893699E+01 Qxc -0.4135746E+01 3,-1 79 3 +3 -2.281058 -0.011480 0.062839 Rho 0.5479501E-02 |GRAD(Rho)| 0.8709237E-17 GRAD(Rho)x 0.1771039E-17 GRAD(Rho)y -0.3345012E-17 GRAD(Rho)z 0.7843795E-17 Laplacian 0.2280521E-01 (-1/4)Del**2(Rho)) -0.5701302E-02 Diamond 0.2236948E-03 Metallicity 0.5146131E+00 Ellipticity -0.3972741E+00 Gb(Abramov) 0.4289862E-02 Vb(Abramov) -0.2878422E-02 Hb(Abramov) 0.1411440E-02 Ex_ueg -0.7134657E-03 Ec_ueg -0.1676057E-03 Delta_ex -0.8437024E-03 Delta_ec 0.1637460E-03 Delta_et -0.1135678E-02 Pxc 0.4256810E+01 Qxc -0.5152508E+01 3,+3 80 3 -1 -2.043382 -3.104986 -0.741123 Rho 0.1339808E+00 |GRAD(Rho)| 0.7736317E-15 GRAD(Rho)x -0.1679497E-15 GRAD(Rho)y 0.5319231E-15 GRAD(Rho)z 0.5360567E-15 Laplacian 0.4962816E+00 (-1/4)Del**2(Rho)) -0.1240704E+00 Diamond 0.8961371E+00 Metallicity 0.4871052E+01 Ellipticity 0.1070668E+00 Gb(Abramov) 0.1834392E+00 Vb(Abramov) -0.2428079E+00 Hb(Abramov) -0.5936876E-01 Ex_ueg -0.5063397E-01 Ec_ueg -0.7426084E-02 Delta_ex -0.5205618E-01 Delta_ec 0.1331680E-01 Delta_et -0.1750506E+00 Pxc 0.6818394E+01 Qxc -0.3909062E+01 3,-1 81 3 +1 -2.039306 2.018576 2.070760 Rho 0.1202720E-01 |GRAD(Rho)| 0.9666127E-17 GRAD(Rho)x 0.7488353E-17 GRAD(Rho)y 0.4358144E-17 GRAD(Rho)z 0.4285459E-17 Laplacian 0.5406899E-01 (-1/4)Del**2(Rho)) -0.1351725E-01 Diamond 0.1657605E-02 Metallicity 0.8046479E+00 Ellipticity -0.1115269E+01 Gb(Abramov) 0.1082427E-01 Vb(Abramov) -0.8131291E-02 Hb(Abramov) 0.2692979E-02 Ex_ueg -0.2035188E-02 Ec_ueg -0.4608249E-03 Delta_ex -0.2510745E-02 Delta_ec 0.4365524E-03 Delta_et -0.3478830E-02 Pxc 0.4416402E+01 Qxc -0.5751303E+01 3,+1 82 3 -1 -2.784776 1.757014 -0.515316 Rho 0.1778739E+00 |GRAD(Rho)| 0.2741376E-14 GRAD(Rho)x 0.5868922E-15 GRAD(Rho)y 0.2157617E-14 GRAD(Rho)z 0.1585998E-14 Laplacian 0.7323073E+00 (-1/4)Del**2(Rho)) -0.1830768E+00 Diamond 0.1793943E+01 Metallicity 0.5293871E+01 Ellipticity 0.1320985E-01 Gb(Abramov) 0.2835821E+00 Vb(Abramov) -0.3840873E+00 Hb(Abramov) -0.1005052E+00 Ex_ueg -0.7388131E-01 Ec_ueg -0.1025113E-01 Delta_ex -0.8183064E-01 Delta_ec 0.1740487E-01 Delta_et -0.2354997E+00 Pxc 0.7207141E+01 Qxc -0.4701593E+01 3,-1 83 3 +3 -1.941981 1.928859 1.980561 Rho 0.1197852E-01 |GRAD(Rho)| 0.4577091E-17 GRAD(Rho)x -0.5830652E-18 GRAD(Rho)y 0.1115845E-17 GRAD(Rho)z -0.4400533E-17 Laplacian 0.5322381E-01 (-1/4)Del**2(Rho)) -0.1330595E-01 Diamond 0.1274136E-02 Metallicity 0.8119181E+00 Ellipticity -0.8292900E+00 Gb(Abramov) 0.1067119E-01 Vb(Abramov) -0.8036433E-02 Hb(Abramov) 0.2634761E-02 Ex_ueg -0.2024211E-02 Ec_ueg -0.4585773E-03 Delta_ex -0.2367770E-02 Delta_ec 0.2495288E-03 Delta_et -0.2209693E-02 Pxc 0.4414110E+01 Qxc -0.9488965E+01 3,+3 84 3 +3 1.131191 1.095607 1.062821 Rho 0.4287521E-02 |GRAD(Rho)| 0.5636612E-13 GRAD(Rho)x -0.3995868E-13 GRAD(Rho)y 0.8447924E-14 GRAD(Rho)z -0.3884684E-13 Laplacian 0.1582779E-01 (-1/4)Del**2(Rho)) -0.3956948E-02 Diamond 0.9274656E-04 Metallicity 0.4926479E+00 Ellipticity -0.4827698E-01 Gb(Abramov) 0.2962862E-02 Vb(Abramov) -0.1968777E-02 Hb(Abramov) 0.9940856E-03 Ex_ueg -0.5144306E-03 Ec_ueg -0.1163820E-03 Delta_ex -0.5277282E-03 Delta_ec 0.7618584E-04 Delta_et -0.5681593E-03 Pxc 0.4420191E+01 Qxc -0.6926854E+01 3,+3 85 3 -1 -0.507108 1.733575 1.731400 Rho 0.4205363E-01 |GRAD(Rho)| 0.1315104E-12 GRAD(Rho)x 0.9801497E-13 GRAD(Rho)y -0.3765870E-13 GRAD(Rho)z 0.7918248E-13 Laplacian 0.1787591E+00 (-1/4)Del**2(Rho)) -0.4468978E-01 Diamond 0.7736472E-01 Metallicity 0.1960427E+01 Ellipticity 0.2037034E-01 Gb(Abramov) 0.4439503E-01 Vb(Abramov) -0.4410028E-01 Hb(Abramov) 0.2947481E-03 Ex_ueg -0.1080081E-01 Ec_ueg -0.1980581E-02 Delta_ex -0.1440249E-01 Delta_ec 0.5889908E-02 Delta_et -0.5941155E-01 Pxc 0.5453354E+01 Qxc -0.2445282E+01 3,-1 86 3 +1 -0.608523 -1.686016 0.537338 Rho 0.8794141E-02 |GRAD(Rho)| 0.5100675E-16 GRAD(Rho)x -0.4855997E-16 GRAD(Rho)y 0.2535633E-17 GRAD(Rho)z 0.1540094E-16 Laplacian 0.3323880E-01 (-1/4)Del**2(Rho)) -0.8309700E-02 Diamond 0.9100928E-03 Metallicity 0.7767659E+00 Ellipticity -0.1483781E+01 Gb(Abramov) 0.6615582E-02 Vb(Abramov) -0.4921464E-02 Hb(Abramov) 0.1694118E-02 Ex_ueg -0.1340632E-02 Ec_ueg -0.3136748E-03 Delta_ex -0.1524073E-02 Delta_ec 0.4623335E-03 Delta_et -0.3182555E-02 Pxc 0.4273955E+01 Qxc -0.3296479E+01 3,+1 87 3 +1 0.307074 -1.986571 -0.726460 Rho 0.5157107E-02 |GRAD(Rho)| 0.1516017E-16 GRAD(Rho)x 0.1344432E-16 GRAD(Rho)y -0.8575266E-18 GRAD(Rho)z -0.6953124E-17 Laplacian 0.1979653E-01 (-1/4)Del**2(Rho)) -0.4949132E-02 Diamond 0.4185932E-03 Metallicity 0.5358391E+00 Ellipticity -0.2119249E+01 Gb(Abramov) 0.3741411E-02 Vb(Abramov) -0.2533690E-02 Hb(Abramov) 0.1207721E-02 Ex_ueg -0.6580515E-03 Ec_ueg -0.1536800E-03 Delta_ex -0.9343283E-03 Delta_ec 0.5236777E-03 Delta_et -0.2910714E-02 Pxc 0.4281959E+01 Qxc -0.1784167E+01 3,+1 88 3 -1 -3.024312 1.970930 0.869073 Rho 0.1241046E+00 |GRAD(Rho)| 0.1305445E-15 GRAD(Rho)x 0.9244856E-16 GRAD(Rho)y -0.4684431E-16 GRAD(Rho)z -0.7937715E-16 Laplacian 0.4802658E+00 (-1/4)Del**2(Rho)) -0.1200664E+00 Diamond 0.7780477E+00 Metallicity 0.4430415E+01 Ellipticity 0.2640054E-01 Gb(Abramov) 0.1687017E+00 Vb(Abramov) -0.2173369E+00 Hb(Abramov) -0.4863521E-01 Ex_ueg -0.4571956E-01 Ec_ueg -0.6807078E-02 Delta_ex -0.4929567E-01 Delta_ec 0.1282522E-01 Delta_et -0.1659176E+00 Pxc 0.6716473E+01 Qxc -0.3843651E+01 3,-1 89 3 +1 0.552684 1.693114 0.495875 Rho 0.7146386E-02 |GRAD(Rho)| 0.3023882E-13 GRAD(Rho)x 0.6685805E-14 GRAD(Rho)y -0.6965075E-14 GRAD(Rho)z -0.2865613E-13 Laplacian 0.2648331E-01 (-1/4)Del**2(Rho)) -0.6620827E-02 Diamond 0.5473215E-03 Metallicity 0.6898982E+00 Ellipticity -0.1421529E+01 Gb(Abramov) 0.5175168E-02 Vb(Abramov) -0.3729508E-02 Hb(Abramov) 0.1445660E-02 Ex_ueg -0.1016640E-02 Ec_ueg -0.2404186E-03 Delta_ex -0.1152890E-02 Delta_ec 0.3690336E-03 Delta_et -0.2407469E-02 Pxc 0.4228623E+01 Qxc -0.3124080E+01 3,+1 90 3 -1 -1.816785 2.758573 -0.562145 Rho 0.1511486E+00 |GRAD(Rho)| 0.3060742E-15 GRAD(Rho)x -0.6556713E-16 GRAD(Rho)y 0.1419221E-15 GRAD(Rho)z -0.2631359E-15 Laplacian 0.6226358E+00 (-1/4)Del**2(Rho)) -0.1556589E+00 Diamond 0.1270709E+01 Metallicity 0.4746634E+01 Ellipticity 0.1798864E-01 Gb(Abramov) 0.2269153E+00 Vb(Abramov) -0.2981717E+00 Hb(Abramov) -0.7125636E-01 Ex_ueg -0.5946440E-01 Ec_ueg -0.8517079E-02 Delta_ex -0.6696439E-01 Delta_ec 0.1572067E-01 Delta_et -0.2093844E+00 Pxc 0.6981784E+01 Qxc -0.4259641E+01 3,-1 91 3 -1 -2.041167 2.980095 0.853764 Rho 0.1399929E+00 |GRAD(Rho)| 0.1387278E-15 GRAD(Rho)x -0.5339696E-17 GRAD(Rho)y 0.7563665E-16 GRAD(Rho)z -0.1161723E-15 Laplacian 0.5537426E+00 (-1/4)Del**2(Rho)) -0.1384356E+00 Diamond 0.1022946E+01 Metallicity 0.4696942E+01 Ellipticity 0.2962885E-01 Gb(Abramov) 0.2006611E+00 Vb(Abramov) -0.2628866E+00 Hb(Abramov) -0.6222548E-01 Ex_ueg -0.5368583E-01 Ec_ueg -0.7806024E-02 Delta_ex -0.5836238E-01 Delta_ec 0.1409725E-01 Delta_et -0.1853911E+00 Pxc 0.6877487E+01 Qxc -0.4139984E+01 3,-1 92 3 -1 -1.814547 0.499519 -2.808627 Rho 0.1421595E+00 |GRAD(Rho)| 0.9332449E-15 GRAD(Rho)x 0.5293211E-15 GRAD(Rho)y 0.7025630E-15 GRAD(Rho)z -0.3117217E-15 Laplacian 0.5886800E+00 (-1/4)Del**2(Rho)) -0.1471700E+00 Diamond 0.1122123E+01 Metallicity 0.4532736E+01 Ellipticity 0.1624469E-01 Gb(Abramov) 0.2092938E+00 Vb(Abramov) -0.2714176E+00 Hb(Abramov) -0.6212379E-01 Ex_ueg -0.5479652E-01 Ec_ueg -0.7943514E-02 Delta_ex -0.6243202E-01 Delta_ec 0.1520511E-01 Delta_et -0.2010040E+00 Pxc 0.6898271E+01 Qxc -0.4105990E+01 3,-1 93 3 +1 -1.683754 0.495370 -0.501123 Rho 0.1007846E-01 |GRAD(Rho)| 0.1405196E-14 GRAD(Rho)x -0.5781703E-15 GRAD(Rho)y 0.1236560E-14 GRAD(Rho)z 0.3334878E-15 Laplacian 0.3880938E-01 (-1/4)Del**2(Rho)) -0.9702346E-02 Diamond 0.1299446E-02 Metallicity 0.8349617E+00 Ellipticity -0.1544843E+01 Gb(Abramov) 0.7818412E-02 Vb(Abramov) -0.5934478E-02 Hb(Abramov) 0.1883934E-02 Ex_ueg -0.1607844E-02 Ec_ueg -0.3716068E-03 Delta_ex -0.1849742E-02 Delta_ec 0.5525372E-03 Delta_et -0.3927992E-02 Pxc 0.4326734E+01 Qxc -0.3347724E+01 3,+1 94 3 -1 -2.040391 0.867830 3.081921 Rho 0.1705599E+00 |GRAD(Rho)| 0.1484078E-15 GRAD(Rho)x 0.8519119E-16 GRAD(Rho)y 0.8353778E-16 GRAD(Rho)z -0.8825406E-16 Laplacian 0.6565585E+00 (-1/4)Del**2(Rho)) -0.1641396E+00 Diamond 0.1549623E+01 Metallicity 0.5505557E+01 Ellipticity 0.3921042E-01 Gb(Abramov) 0.2600398E+00 Vb(Abramov) -0.3559399E+00 Hb(Abramov) -0.9590014E-01 Ex_ueg -0.6985877E-01 Ec_ueg -0.9772386E-02 Delta_ex -0.7276576E-01 Delta_ec 0.1608269E-01 Delta_et -0.2175141E+00 Pxc 0.7148589E+01 Qxc -0.4524478E+01 3,-1 95 3 +1 -0.266396 -0.502366 -3.285288 Rho 0.2949616E-02 |GRAD(Rho)| 0.5380201E-17 GRAD(Rho)x -0.4292179E-17 GRAD(Rho)y -0.2892714E-17 GRAD(Rho)z -0.1468322E-17 Laplacian 0.1107951E-01 (-1/4)Del**2(Rho)) -0.2769878E-02 Diamond 0.1049836E-03 Metallicity 0.3773128E+00 Ellipticity -0.1509799E+01 Gb(Abramov) 0.2020771E-02 Vb(Abramov) -0.1271663E-02 Hb(Abramov) 0.7491077E-03 Ex_ueg -0.3124201E-03 Ec_ueg -0.5977247E-04 Delta_ex -0.4578174E-03 Delta_ec 0.2743199E-03 Delta_et -0.1301266E-02 Pxc 0.5226822E+01 Qxc -0.1668918E+01 3,+1 96 3 +1 0.056203 -3.126291 0.116727 Rho 0.4901680E-02 |GRAD(Rho)| 0.1097547E-17 GRAD(Rho)x -0.2055096E-18 GRAD(Rho)y -0.2085545E-18 GRAD(Rho)z -0.1057771E-17 Laplacian 0.1904259E-01 (-1/4)Del**2(Rho)) -0.4760647E-02 Diamond 0.4381774E-03 Metallicity 0.5118335E+00 Ellipticity -0.4013762E+01 Gb(Abramov) 0.3579874E-02 Vb(Abramov) -0.2399102E-02 Hb(Abramov) 0.1180773E-02 Ex_ueg -0.6149573E-03 Ec_ueg -0.1426841E-03 Delta_ex -0.9486943E-03 Delta_ec 0.6095118E-03 Delta_et -0.3286472E-02 Pxc 0.4309921E+01 Qxc -0.1556482E+01 3,+1 97 3 -1 -1.867388 -2.774029 0.596839 Rho 0.1555683E+00 |GRAD(Rho)| 0.7051194E-15 GRAD(Rho)x -0.5407729E-15 GRAD(Rho)y -0.4520378E-15 GRAD(Rho)z -0.2049142E-16 Laplacian 0.6382257E+00 (-1/4)Del**2(Rho)) -0.1595564E+00 Diamond 0.1343563E+01 Metallicity 0.4858559E+01 Ellipticity 0.1777168E-01 Gb(Abramov) 0.2355733E+00 Vb(Abramov) -0.3115902E+00 Hb(Abramov) -0.7601691E-01 Ex_ueg -0.6179404E-01 Ec_ueg -0.8800914E-02 Delta_ex -0.6908491E-01 Delta_ec 0.1591641E-01 Delta_et -0.2126150E+00 Pxc 0.7021321E+01 Qxc -0.4340483E+01 3,-1 98 3 -1 -1.736891 1.700933 0.533539 Rho 0.4697503E-01 |GRAD(Rho)| 0.3728923E-16 GRAD(Rho)x -0.1260427E-16 GRAD(Rho)y -0.3456572E-16 GRAD(Rho)z -0.6068779E-17 Laplacian 0.1860809E+00 (-1/4)Del**2(Rho)) -0.4652023E-01 Diamond 0.8547855E-01 Metallicity 0.2264764E+01 Ellipticity 0.3598779E-01 Gb(Abramov) 0.4857305E-01 Vb(Abramov) -0.5062587E-01 Hb(Abramov) -0.2052818E-02 Ex_ueg -0.1251818E-01 Ec_ueg -0.2248360E-02 Delta_ex -0.1502334E-01 Delta_ec 0.5448510E-02 Delta_et -0.5649741E-01 Pxc 0.5567694E+01 Qxc -0.2757330E+01 3,-1 99 3 +1 -1.065493 2.169166 1.423837 Rho 0.2610944E-01 |GRAD(Rho)| 0.2834153E-16 GRAD(Rho)x 0.2288501E-16 GRAD(Rho)y 0.8756008E-17 GRAD(Rho)z 0.1424258E-16 Laplacian 0.9935043E-01 (-1/4)Del**2(Rho)) -0.2483761E-01 Diamond 0.1257800E-01 Metallicity 0.1593821E+01 Ellipticity -0.2835193E+01 Gb(Abramov) 0.2315619E-01 Vb(Abramov) -0.2147477E-01 Hb(Abramov) 0.1681420E-02 Ex_ueg -0.5720692E-02 Ec_ueg -0.1144734E-02 Delta_ex -0.6126555E-02 Delta_ec 0.1463288E-02 Delta_et -0.1309878E-01 Pxc 0.4997400E+01 Qxc -0.4186842E+01 3,+1 100 3 -1 -1.781065 -0.602352 -1.794715 Rho 0.5322324E-01 |GRAD(Rho)| 0.1705175E-14 GRAD(Rho)x -0.1009468E-14 GRAD(Rho)y 0.4367065E-15 GRAD(Rho)z -0.1303029E-14 Laplacian 0.2111627E+00 (-1/4)Del**2(Rho)) -0.5279067E-01 Diamond 0.1180303E+00 Metallicity 0.2457527E+01 Ellipticity 0.1637004E-01 Gb(Abramov) 0.5681620E-01 Vb(Abramov) -0.6084172E-01 Hb(Abramov) -0.4025523E-02 Ex_ueg -0.1478610E-01 Ec_ueg -0.2593803E-02 Delta_ex -0.1771692E-01 Delta_ec 0.6394890E-02 Delta_et -0.6857223E-01 Pxc 0.5700548E+01 Qxc -0.2770481E+01 3,-1 101 3 -1 -1.865919 -0.545713 2.844133 Rho 0.1603888E+00 |GRAD(Rho)| 0.4430694E-15 GRAD(Rho)x -0.3395179E-15 GRAD(Rho)y 0.2141299E-15 GRAD(Rho)z -0.1875805E-15 Laplacian 0.6634134E+00 (-1/4)Del**2(Rho)) -0.1658534E+00 Diamond 0.1446758E+01 Metallicity 0.4917965E+01 Ellipticity 0.1264632E-01 Gb(Abramov) 0.2465124E+00 Vb(Abramov) -0.3271715E+00 Hb(Abramov) -0.8065905E-01 Ex_ueg -0.6436014E-01 Ec_ueg -0.9111827E-02 Delta_ex -0.7233879E-01 Delta_ec 0.1638528E-01 Delta_et -0.2196521E+00 Pxc 0.7063362E+01 Qxc -0.4414865E+01 3,-1 102 3 +1 1.655275 -0.576417 -0.607661 Rho 0.7917086E-02 |GRAD(Rho)| 0.1205820E-16 GRAD(Rho)x 0.4743689E-17 GRAD(Rho)y 0.3529993E-18 GRAD(Rho)z -0.1108030E-16 Laplacian 0.3081866E-01 (-1/4)Del**2(Rho)) -0.7704665E-02 Diamond 0.7606655E-03 Metallicity 0.7031938E+00 Ellipticity -0.1450016E+01 Gb(Abramov) 0.6039422E-02 Vb(Abramov) -0.4374179E-02 Hb(Abramov) 0.1665243E-02 Ex_ueg -0.1165392E-02 Ec_ueg -0.2745290E-03 Delta_ex -0.1390828E-02 Delta_ec 0.4550651E-03 Delta_et -0.3026900E-02 Pxc 0.4245061E+01 Qxc -0.3056327E+01 3,+1 103 3 -1 0.517940 -1.766377 1.725134 Rho 0.4349455E-01 |GRAD(Rho)| 0.7946868E-13 GRAD(Rho)x -0.5848134E-13 GRAD(Rho)y -0.4990103E-13 GRAD(Rho)z -0.2012685E-13 Laplacian 0.1843231E+00 (-1/4)Del**2(Rho)) -0.4608078E-01 Diamond 0.8302801E-01 Metallicity 0.2011059E+01 Ellipticity 0.1600703E-01 Gb(Abramov) 0.4616571E-01 Vb(Abramov) -0.4625065E-01 Hb(Abramov) -0.8493367E-04 Ex_ueg -0.1129704E-01 Ec_ueg -0.2058565E-02 Delta_ex -0.1494831E-01 Delta_ec 0.6027652E-02 Delta_et -0.6135696E-01 Pxc 0.5487826E+01 Qxc -0.2479955E+01 3,-1 104 3 -1 -0.841996 -3.475864 -1.318067 Rho 0.3189734E+00 |GRAD(Rho)| 0.4951750E-15 GRAD(Rho)x -0.3749074E-15 GRAD(Rho)y 0.6212140E-17 GRAD(Rho)z -0.3234257E-15 Laplacian -0.1637952E+01 (-1/4)Del**2(Rho)) 0.4094881E+00 Diamond 0.5634771E+01 Metallicity -0.6264736E+01 Ellipticity 0.3307859E-02 Gb(Abramov) 0.1545637E+00 Vb(Abramov) -0.7186155E+00 Hb(Abramov) -0.5640518E+00 Ex_ueg -0.1609624E+00 Ec_ueg -0.2006953E-01 Delta_ex 0.1631524E+00 Delta_ec 0.5670730E-01 Delta_et -0.1345925E+01 Pxc 0.8020235E+01 Qxc 0.2877097E+01 3,-1 105 3 -1 -0.557376 1.779399 -2.764567 Rho 0.1285321E+00 |GRAD(Rho)| 0.1444031E-13 GRAD(Rho)x 0.9776603E-14 GRAD(Rho)y 0.1054205E-13 GRAD(Rho)z 0.1343794E-14 Laplacian 0.5444201E+00 (-1/4)Del**2(Rho)) -0.1361050E+00 Diamond 0.9130206E+00 Metallicity 0.4143477E+01 Ellipticity 0.1452576E-01 Gb(Abramov) 0.1847280E+00 Vb(Abramov) -0.2333510E+00 Hb(Abramov) -0.4862299E-01 Ex_ueg -0.4790716E-01 Ec_ueg -0.7083773E-02 Delta_ex -0.5626786E-01 Delta_ec 0.1426744E-01 Delta_et -0.1853890E+00 Pxc 0.6762943E+01 Qxc -0.3943795E+01 3,-1 106 3 +1 -1.050755 1.426039 2.226152 Rho 0.2400497E-01 |GRAD(Rho)| 0.3630241E-16 GRAD(Rho)x -0.1544251E-16 GRAD(Rho)y -0.2753552E-16 GRAD(Rho)z 0.1792174E-16 Laplacian 0.8968355E-01 (-1/4)Del**2(Rho)) -0.2242089E-01 Diamond 0.9410534E-02 Metallicity 0.1534861E+01 Ellipticity -0.2269766E+01 Gb(Abramov) 0.2068275E-01 Vb(Abramov) -0.1894461E-01 Hb(Abramov) 0.1738138E-02 Ex_ueg -0.5114306E-02 Ec_ueg -0.1038748E-02 Delta_ex -0.5324964E-02 Delta_ec 0.1177695E-02 Delta_et -0.1038212E-01 Pxc 0.4923530E+01 Qxc -0.4521515E+01 3,+1 107 3 -1 -0.870382 2.005565 3.037321 Rho 0.8999697E-01 |GRAD(Rho)| 0.8509686E-16 GRAD(Rho)x -0.4878910E-17 GRAD(Rho)y 0.8489303E-16 GRAD(Rho)z -0.3293264E-17 Laplacian 0.3785898E+00 (-1/4)Del**2(Rho)) -0.9464745E-01 Diamond 0.4280201E+00 Metallicity 0.3289708E+01 Ellipticity 0.3489442E-02 Gb(Abramov) 0.1149921E+00 Vb(Abramov) -0.1353367E+00 Hb(Abramov) -0.2034460E-01 Ex_ueg -0.2978669E-01 Ec_ueg -0.4723199E-02 Delta_ex -0.3627078E-01 Delta_ec 0.1127323E-01 Delta_et -0.1375249E+00 Pxc 0.6306465E+01 Qxc -0.3217427E+01 3,-1 108 3 +1 2.187530 0.943002 -1.532878 Rho 0.2171589E-01 |GRAD(Rho)| 0.4239505E-14 GRAD(Rho)x -0.1663108E-14 GRAD(Rho)y 0.3296393E-14 GRAD(Rho)z -0.2083570E-14 Laplacian 0.7776069E-01 (-1/4)Del**2(Rho)) -0.1944017E-01 Diamond 0.6944081E-02 Metallicity 0.1497898E+01 Ellipticity -0.2181082E+01 Gb(Abramov) 0.1781335E-01 Vb(Abramov) -0.1618652E-01 Hb(Abramov) 0.1626824E-02 Ex_ueg -0.4474609E-02 Ec_ueg -0.9248297E-03 Delta_ex -0.4470563E-02 Delta_ec 0.9838598E-03 Delta_et -0.8496357E-02 Pxc 0.4838306E+01 Qxc -0.4543903E+01 3,+1 109 3 +3 -0.061591 -2.414096 -0.164301 Rho 0.3720298E-02 |GRAD(Rho)| 0.7325808E-17 GRAD(Rho)x 0.5156669E-17 GRAD(Rho)y -0.3569066E-17 GRAD(Rho)z 0.3786554E-17 Laplacian 0.1484930E-01 (-1/4)Del**2(Rho)) -0.3712325E-02 Diamond 0.9084030E-04 Metallicity 0.4145117E+00 Ellipticity -0.2677363E+00 Gb(Abramov) 0.2731351E-02 Vb(Abramov) -0.1750376E-02 Hb(Abramov) 0.9809747E-03 Ex_ueg -0.4257508E-03 Ec_ueg -0.9226466E-04 Delta_ex -0.5027405E-03 Delta_ec 0.1185106E-03 Delta_et -0.7330422E-03 Pxc 0.4614451E+01 Qxc -0.4242157E+01 3,+3 110 3 +1 0.037070 -0.099752 3.005211 Rho 0.5075887E-02 |GRAD(Rho)| 0.5192613E-17 GRAD(Rho)x -0.5171278E-17 GRAD(Rho)y -0.4321218E-18 GRAD(Rho)z -0.1854239E-18 Laplacian 0.1986989E-01 (-1/4)Del**2(Rho)) -0.4967472E-02 Diamond 0.4900828E-03 Metallicity 0.5199213E+00 Ellipticity -0.6495908E+01 Gb(Abramov) 0.3742097E-02 Vb(Abramov) -0.2516722E-02 Hb(Abramov) 0.1225375E-02 Ex_ueg -0.6442696E-03 Ec_ueg -0.1501800E-03 Delta_ex -0.1006476E-02 Delta_ec 0.6536953E-03 Delta_et -0.3554904E-02 Pxc 0.4289983E+01 Qxc -0.1539672E+01 3,+1 111 3 -1 -0.605736 -1.816993 2.837856 Rho 0.1067520E+00 |GRAD(Rho)| 0.1104574E-13 GRAD(Rho)x 0.1071161E-13 GRAD(Rho)y 0.3497772E-15 GRAD(Rho)z 0.2673483E-14 Laplacian 0.4655430E+00 (-1/4)Del**2(Rho)) -0.1163858E+00 Diamond 0.6507419E+00 Metallicity 0.3555879E+01 Ellipticity 0.1310472E-01 Gb(Abramov) 0.1465661E+00 Vb(Abramov) -0.1767465E+00 Hb(Abramov) -0.3018037E-01 Ex_ueg -0.3740130E-01 Ec_ueg -0.5735851E-02 Delta_ex -0.4644765E-01 Delta_ec 0.1347367E-01 Delta_et -0.1704369E+00 Pxc 0.6520619E+01 Qxc -0.3447290E+01 3,-1 112 3 -1 1.461420 -2.199694 -2.162475 Rho 0.5755379E-02 |GRAD(Rho)| 0.1058588E-16 GRAD(Rho)x -0.2251989E-18 GRAD(Rho)y -0.9017627E-17 GRAD(Rho)z 0.5540091E-17 Laplacian 0.2191220E-01 (-1/4)Del**2(Rho)) -0.5478050E-02 Diamond 0.7075316E-03 Metallicity 0.5812777E+00 Ellipticity 0.2785002E+01 Gb(Abramov) 0.4182745E-02 Vb(Abramov) -0.2887439E-02 Hb(Abramov) 0.1295305E-02 Ex_ueg -0.7617578E-03 Ec_ueg -0.1795633E-03 Delta_ex -0.1189100E-02 Delta_ec 0.8138103E-03 Delta_et -0.4560984E-02 Pxc 0.4242281E+01 Qxc -0.1461152E+01 3,-1 113 3 +1 1.542821 -2.144619 -2.104989 Rho 0.5747662E-02 |GRAD(Rho)| 0.4303643E-15 GRAD(Rho)x 0.3176558E-15 GRAD(Rho)y 0.2040790E-15 GRAD(Rho)z 0.2065429E-15 Laplacian 0.2271271E-01 (-1/4)Del**2(Rho)) -0.5678178E-02 Diamond 0.6393756E-03 Metallicity 0.5595379E+00 Ellipticity -0.4157841E+01 Gb(Abramov) 0.4314978E-02 Vb(Abramov) -0.2951778E-02 Hb(Abramov) 0.1363200E-02 Ex_ueg -0.7603963E-03 Ec_ueg -0.1792283E-03 Delta_ex -0.1160766E-02 Delta_ec 0.7159401E-03 Delta_et -0.4053792E-02 Pxc 0.4242613E+01 Qxc -0.1621317E+01 3,+1 114 3 -1 -0.877098 3.017224 1.999110 Rho 0.1153813E+00 |GRAD(Rho)| 0.1908823E-12 GRAD(Rho)x 0.1475670E-12 GRAD(Rho)y -0.6221009E-13 GRAD(Rho)z 0.1038745E-12 Laplacian 0.4685690E+00 (-1/4)Del**2(Rho)) -0.1171423E+00 Diamond 0.7128569E+00 Metallicity 0.4021596E+01 Ellipticity 0.1260778E-01 Gb(Abramov) 0.1566113E+00 Vb(Abramov) -0.1960804E+00 Hb(Abramov) -0.3946905E-01 Ex_ueg -0.4148573E-01 Ec_ueg -0.6265865E-02 Delta_ex -0.4751438E-01 Delta_ec 0.1316743E-01 Delta_et -0.1688560E+00 Pxc 0.6620911E+01 Qxc -0.3608477E+01 3,-1 115 3 -1 -0.550890 2.759716 -1.802745 Rho 0.1180521E+00 |GRAD(Rho)| 0.3832022E-14 GRAD(Rho)x 0.2575773E-14 GRAD(Rho)y -0.4675791E-15 GRAD(Rho)z -0.2798421E-14 Laplacian 0.4907154E+00 (-1/4)Del**2(Rho)) -0.1226789E+00 Diamond 0.7432572E+00 Metallicity 0.3989386E+01 Ellipticity 0.5917448E-02 Gb(Abramov) 0.1633548E+00 Vb(Abramov) -0.2040307E+00 Hb(Abramov) -0.4067592E-01 Ex_ueg -0.4277104E-01 Ec_ueg -0.6431001E-02 Delta_ex -0.4969810E-01 Delta_ec 0.1312757E-01 Delta_et -0.1681496E+00 Pxc 0.6650759E+01 Qxc -0.3785782E+01 3,-1 116 3 +1 0.172763 3.008759 -0.161227 Rho 0.5387254E-02 |GRAD(Rho)| 0.8865364E-17 GRAD(Rho)x 0.7101989E-17 GRAD(Rho)y 0.1980730E-18 GRAD(Rho)z 0.5302566E-17 Laplacian 0.2133332E-01 (-1/4)Del**2(Rho)) -0.5333329E-02 Diamond 0.4948136E-03 Metallicity 0.5347703E+00 Ellipticity -0.2329354E+01 Gb(Abramov) 0.4030904E-02 Vb(Abramov) -0.2728478E-02 Hb(Abramov) 0.1302425E-02 Ex_ueg -0.6974959E-03 Ec_ueg -0.1636158E-03 Delta_ex -0.1029755E-02 Delta_ec 0.5889643E-03 Delta_et -0.3304158E-02 Pxc 0.4263011E+01 Qxc -0.1748417E+01 3,+1 117 3 +3 0.046894 2.288901 -0.003176 Rho 0.4338657E-02 |GRAD(Rho)| 0.4686969E-14 GRAD(Rho)x -0.2344562E-14 GRAD(Rho)y -0.3386354E-14 GRAD(Rho)z 0.2236808E-14 Laplacian 0.1729064E-01 (-1/4)Del**2(Rho)) -0.4322659E-02 Diamond 0.1278609E-03 Metallicity 0.4599680E+00 Ellipticity -0.3280960E+00 Gb(Abramov) 0.3213153E-02 Vb(Abramov) -0.2103648E-02 Hb(Abramov) 0.1109505E-02 Ex_ueg -0.5226273E-03 Ec_ueg -0.1185645E-03 Delta_ex -0.6062952E-03 Delta_ec 0.1330838E-03 Delta_et -0.8610799E-03 Pxc 0.4407959E+01 Qxc -0.4555741E+01 3,+3 118 3 -1 0.531774 1.686943 -1.761081 Rho 0.5186928E-01 |GRAD(Rho)| 0.6304086E-16 GRAD(Rho)x 0.4645595E-16 GRAD(Rho)y 0.2743031E-16 GRAD(Rho)z -0.3261246E-16 Laplacian 0.2081053E+00 (-1/4)Del**2(Rho)) -0.5202633E-01 Diamond 0.1107277E+00 Metallicity 0.2388803E+01 Ellipticity 0.1519355E-01 Gb(Abramov) 0.5539766E-01 Vb(Abramov) -0.5876899E-01 Hb(Abramov) -0.3371331E-02 Ex_ueg -0.1428670E-01 Ec_ueg -0.2518458E-02 Delta_ex -0.1728219E-01 Delta_ec 0.6186987E-02 Delta_et -0.6586312E-01 Pxc 0.5672797E+01 Qxc -0.2793313E+01 3,-1 119 3 +1 1.692268 0.541363 0.525543 Rho 0.6689935E-02 |GRAD(Rho)| 0.1636219E-14 GRAD(Rho)x 0.4460884E-15 GRAD(Rho)y 0.1465710E-14 GRAD(Rho)z -0.5743808E-15 Laplacian 0.2513725E-01 (-1/4)Del**2(Rho)) -0.6284313E-02 Diamond 0.4955897E-03 Metallicity 0.6511262E+00 Ellipticity -0.1425676E+01 Gb(Abramov) 0.4871522E-02 Vb(Abramov) -0.3458731E-02 Hb(Abramov) 0.1412791E-02 Ex_ueg -0.9309955E-03 Ec_ueg -0.2203471E-03 Delta_ex -0.1089503E-02 Delta_ec 0.3735012E-03 Delta_et -0.2374851E-02 Pxc 0.4225131E+01 Qxc -0.2916999E+01 3,+1 120 3 -1 0.082412 3.249557 3.237974 Rho 0.2017713E+00 |GRAD(Rho)| 0.5026762E-15 GRAD(Rho)x -0.4027811E-16 GRAD(Rho)y -0.4930409E-15 GRAD(Rho)z -0.8928405E-16 Laplacian 0.7635326E+00 (-1/4)Del**2(Rho)) -0.1908832E+00 Diamond 0.2195559E+01 Metallicity 0.6264475E+01 Ellipticity 0.2933302E-02 Gb(Abramov) 0.3265526E+00 Vb(Abramov) -0.4622220E+00 Hb(Abramov) -0.1356694E+00 Ex_ueg -0.8740395E-01 Ec_ueg -0.1183664E-01 Delta_ex -0.8822879E-01 Delta_ec 0.1776861E-01 Delta_et -0.2439010E+00 Pxc 0.7384184E+01 Qxc -0.4965431E+01 3,-1 121 3 -1 0.419975 0.418117 -0.531882 Rho 0.1813369E+00 |GRAD(Rho)| 0.1686522E-15 GRAD(Rho)x 0.1491862E-15 GRAD(Rho)y 0.5898060E-16 GRAD(Rho)z -0.5204170E-16 Laplacian 0.4732833E+00 (-1/4)Del**2(Rho)) -0.1183208E+00 Diamond 0.1226945E+01 Metallicity 0.8458677E+01 Ellipticity 0.3010076E-02 Gb(Abramov) 0.2456868E+00 Vb(Abramov) -0.3730528E+00 Hb(Abramov) -0.1273660E+00 Ex_ueg -0.7580539E-01 Ec_ueg -0.1047888E-01 Delta_ex -0.5345689E-01 Delta_ec 0.1174862E-01 Delta_et -0.1609881E+00 Pxc 0.7234112E+01 Qxc -0.4550055E+01 3,-1 122 3 -1 -0.505619 0.429165 0.446558 Rho 0.1738742E+00 |GRAD(Rho)| 0.1392973E-15 GRAD(Rho)x 0.9020562E-16 GRAD(Rho)y -0.2081668E-16 GRAD(Rho)z 0.1040834E-15 Laplacian 0.4424684E+00 (-1/4)Del**2(Rho)) -0.1106171E+00 Diamond 0.1092180E+01 Metallicity 0.8435734E+01 Ellipticity 0.7404423E-03 Gb(Abramov) 0.2292675E+00 Vb(Abramov) -0.3479179E+00 Hb(Abramov) -0.1186504E+00 Ex_ueg -0.7167461E-01 Ec_ueg -0.9988944E-02 Delta_ex -0.4946699E-01 Delta_ec 0.1112676E-01 Delta_et -0.1517910E+00 Pxc 0.7175395E+01 Qxc -0.4445768E+01 3,-1 123 3 +1 0.539302 0.469377 1.681938 Rho 0.7616369E-02 |GRAD(Rho)| 0.5709086E-15 GRAD(Rho)x -0.5061841E-15 GRAD(Rho)y 0.1353541E-15 GRAD(Rho)z -0.2267015E-15 Laplacian 0.2914707E-01 (-1/4)Del**2(Rho)) -0.7286768E-02 Diamond 0.6529410E-03 Metallicity 0.6970515E+00 Ellipticity -0.1405304E+01 Gb(Abramov) 0.5704387E-02 Vb(Abramov) -0.4122007E-02 Hb(Abramov) 0.1582381E-02 Ex_ueg -0.1106749E-02 Ec_ueg -0.2611870E-03 Delta_ex -0.1287128E-02 Delta_ec 0.4024230E-03 Delta_et -0.2672130E-02 Pxc 0.4237380E+01 Qxc -0.3198445E+01 3,+1 124 3 -1 0.021072 -3.416226 -1.213609 Rho 0.2820966E-01 |GRAD(Rho)| 0.2740036E-16 GRAD(Rho)x -0.2039470E-16 GRAD(Rho)y -0.1793815E-16 GRAD(Rho)z -0.3613638E-17 Laplacian 0.9015518E-01 (-1/4)Del**2(Rho)) -0.2253879E-01 Diamond 0.3231989E-01 Metallicity 0.1998108E+01 Ellipticity 0.7032693E-02 Gb(Abramov) 0.2253169E-01 Vb(Abramov) -0.2252458E-01 Hb(Abramov) 0.7107844E-05 Ex_ueg -0.6342330E-02 Ec_ueg -0.1251635E-02 Delta_ex -0.7492299E-02 Delta_ec 0.4566071E-02 Delta_et -0.4107434E-01 Pxc 0.5067238E+01 Qxc -0.1640863E+01 3,-1 125 3 -1 -0.063145 -3.234390 3.284145 Rho 0.2051009E+00 |GRAD(Rho)| 0.6205278E-15 GRAD(Rho)x -0.1181238E-15 GRAD(Rho)y -0.3466194E-15 GRAD(Rho)z 0.5009556E-15 Laplacian 0.7785360E+00 (-1/4)Del**2(Rho)) -0.1946340E+00 Diamond 0.2280343E+01 Metallicity 0.6313646E+01 Ellipticity 0.2104178E-02 Gb(Abramov) 0.3345644E+00 Vb(Abramov) -0.4744948E+00 Hb(Abramov) -0.1399304E+00 Ex_ueg -0.8933227E-01 Ec_ueg -0.1206009E-01 Delta_ex -0.9032160E-01 Delta_ec 0.1800287E-01 Delta_et -0.2473049E+00 Pxc 0.7407262E+01 Qxc -0.5017066E+01 3,-1 126 3 -1 -0.598258 -2.796809 1.850258 Rho 0.1100619E+00 |GRAD(Rho)| 0.5503170E-15 GRAD(Rho)x 0.2541505E-15 GRAD(Rho)y -0.1687628E-16 GRAD(Rho)z 0.4878232E-15 Laplacian 0.4768620E+00 (-1/4)Del**2(Rho)) -0.1192155E+00 Diamond 0.6890308E+00 Metallicity 0.3652712E+01 Ellipticity 0.4173961E-02 Gb(Abramov) 0.1520536E+00 Vb(Abramov) -0.1848918E+00 Hb(Abramov) -0.3283814E-01 Ex_ueg -0.3895540E-01 Ec_ueg -0.5938496E-02 Delta_ex -0.4787804E-01 Delta_ec 0.1364102E-01 Delta_et -0.1735023E+00 Pxc 0.6559810E+01 Qxc -0.3509857E+01 3,-1 127 3 +1 1.451101 2.157836 -1.026266 Rho 0.2278759E-01 |GRAD(Rho)| 0.1291813E-13 GRAD(Rho)x 0.1259150E-13 GRAD(Rho)y -0.2699643E-14 GRAD(Rho)z -0.1021868E-14 Laplacian 0.8545128E-01 (-1/4)Del**2(Rho)) -0.2136282E-01 Diamond 0.7929855E-02 Metallicity 0.1477039E+01 Ellipticity -0.1999770E+01 Gb(Abramov) 0.1950083E-01 Vb(Abramov) -0.1763885E-01 Hb(Abramov) 0.1861987E-02 Ex_ueg -0.4771442E-02 Ec_ueg -0.9779811E-03 Delta_ex -0.4950578E-02 Delta_ec 0.1031353E-02 Delta_et -0.9021649E-02 Pxc 0.4878869E+01 Qxc -0.4800079E+01 3,+1 128 3 +1 1.495114 0.910256 -2.245459 Rho 0.2293714E-01 |GRAD(Rho)| 0.1472401E-14 GRAD(Rho)x 0.1445466E-14 GRAD(Rho)y 0.1565590E-15 GRAD(Rho)z 0.2325557E-15 Laplacian 0.8820849E-01 (-1/4)Del**2(Rho)) -0.2205212E-01 Diamond 0.7912271E-02 Metallicity 0.1446555E+01 Ellipticity -0.1818916E+01 Gb(Abramov) 0.2001802E-01 Vb(Abramov) -0.1798391E-01 Hb(Abramov) 0.2034107E-02 Ex_ueg -0.4813239E-02 Ec_ueg -0.9854238E-03 Delta_ex -0.5077227E-02 Delta_ec 0.9889447E-03 Delta_et -0.8693705E-02 Pxc 0.4884435E+01 Qxc -0.5133985E+01 3,+1 129 3 -1 0.595708 1.807510 2.805184 Rho 0.1229365E+00 |GRAD(Rho)| 0.1300880E-13 GRAD(Rho)x -0.1019590E-13 GRAD(Rho)y 0.4709056E-14 GRAD(Rho)z -0.6564851E-14 Laplacian 0.5259256E+00 (-1/4)Del**2(Rho)) -0.1314814E+00 Diamond 0.8626685E+00 Metallicity 0.3982508E+01 Ellipticity 0.1540532E-01 Gb(Abramov) 0.1749252E+00 Vb(Abramov) -0.2183690E+00 Hb(Abramov) -0.4344382E-01 Ex_ueg -0.4514670E-01 Ec_ueg -0.6734301E-02 Delta_ex -0.5412378E-01 Delta_ec 0.1454606E-01 Delta_et -0.1886753E+00 Pxc 0.6703992E+01 Qxc -0.3720856E+01 3,-1 130 3 +1 1.120290 -2.231056 1.339131 Rho 0.2636511E-01 |GRAD(Rho)| 0.1109077E-13 GRAD(Rho)x -0.7781657E-14 GRAD(Rho)y 0.2787623E-14 GRAD(Rho)z 0.7394598E-14 Laplacian 0.1020358E+00 (-1/4)Del**2(Rho)) -0.2550894E-01 Diamond 0.1498653E-01 Metallicity 0.1577284E+01 Ellipticity -0.6246115E+01 Gb(Abramov) 0.2371177E-01 Vb(Abramov) -0.2191460E-01 Hb(Abramov) 0.1797173E-02 Ex_ueg -0.5795502E-02 Ec_ueg -0.1157688E-02 Delta_ex -0.6500504E-02 Delta_ec 0.1844874E-02 Delta_et -0.1647535E-01 Pxc 0.5006101E+01 Qxc -0.3523550E+01 3,+1 131 3 -1 0.859391 -1.976174 3.072838 Rho 0.1271792E+00 |GRAD(Rho)| 0.4963093E-15 GRAD(Rho)x 0.4428966E-15 GRAD(Rho)y 0.2223699E-15 GRAD(Rho)z 0.2677979E-16 Laplacian 0.5187810E+00 (-1/4)Del**2(Rho)) -0.1296952E+00 Diamond 0.8834102E+00 Metallicity 0.4272242E+01 Ellipticity 0.2936369E-01 Gb(Abramov) 0.1788117E+00 Vb(Abramov) -0.2279282E+00 Hb(Abramov) -0.4911650E-01 Ex_ueg -0.4723600E-01 Ec_ueg -0.6999085E-02 Delta_ex -0.5378416E-01 Delta_ec 0.1417020E-01 Delta_et -0.1847852E+00 Pxc 0.6748882E+01 Qxc -0.3795583E+01 3,-1 132 3 +1 1.227847 -1.216775 2.182345 Rho 0.2370675E-01 |GRAD(Rho)| 0.2633221E-16 GRAD(Rho)x -0.1114600E-16 GRAD(Rho)y 0.1163930E-17 GRAD(Rho)z -0.2382849E-16 Laplacian 0.8937955E-01 (-1/4)Del**2(Rho)) -0.2234489E-01 Diamond 0.1157675E-01 Metallicity 0.1508326E+01 Ellipticity -0.6860568E+01 Gb(Abramov) 0.2051382E-01 Vb(Abramov) -0.1868275E-01 Hb(Abramov) 0.1831068E-02 Ex_ueg -0.5029767E-02 Ec_ueg -0.1023824E-02 Delta_ex -0.5563637E-02 Delta_ec 0.1664685E-02 Delta_et -0.1446432E-01 Pxc 0.4912725E+01 Qxc -0.3342155E+01 3,+1 133 3 +1 2.022323 -2.056732 2.100997 Rho 0.1193398E-01 |GRAD(Rho)| 0.2528616E-16 GRAD(Rho)x -0.1642836E-16 GRAD(Rho)y -0.2746497E-17 GRAD(Rho)z 0.1902512E-16 Laplacian 0.5327436E-01 (-1/4)Del**2(Rho)) -0.1331859E-01 Diamond 0.1684352E-02 Metallicity 0.8061278E+00 Ellipticity -0.1160964E+01 Gb(Abramov) 0.1066848E-01 Vb(Abramov) -0.8018359E-02 Hb(Abramov) 0.2650116E-02 Ex_ueg -0.2014183E-02 Ec_ueg -0.4565223E-03 Delta_ex -0.2488442E-02 Delta_ec 0.4657871E-03 Delta_et -0.3661879E-02 Pxc 0.4412015E+01 Qxc -0.5342445E+01 3,+1 134 3 -1 0.597021 2.853832 1.810481 Rho 0.1507273E+00 |GRAD(Rho)| 0.5142181E-15 GRAD(Rho)x 0.1482646E-16 GRAD(Rho)y -0.1112391E-15 GRAD(Rho)z 0.5018230E-15 Laplacian 0.6266510E+00 (-1/4)Del**2(Rho)) -0.1566628E+00 Diamond 0.1301241E+01 Metallicity 0.4694331E+01 Ellipticity 0.1344750E-01 Gb(Abramov) 0.2270130E+00 Vb(Abramov) -0.2973632E+00 Hb(Abramov) -0.7035023E-01 Ex_ueg -0.5924351E-01 Ec_ueg -0.8490085E-02 Delta_ex -0.6761337E-01 Delta_ec 0.1630340E-01 Delta_et -0.2181585E+00 Pxc 0.6977964E+01 Qxc -0.4147194E+01 3,-1 135 3 -1 0.839581 3.019667 -2.014878 Rho 0.1610663E+00 |GRAD(Rho)| 0.7023475E-09 GRAD(Rho)x -0.4779464E-09 GRAD(Rho)y -0.3450321E-09 GRAD(Rho)z -0.3818536E-09 Laplacian 0.6237854E+00 (-1/4)Del**2(Rho)) -0.1559464E+00 Diamond 0.1371126E+01 Metallicity 0.5267271E+01 Ellipticity 0.4335954E-01 Gb(Abramov) 0.2408662E+00 Vb(Abramov) -0.3257860E+00 Hb(Abramov) -0.8491984E-01 Ex_ueg -0.6472289E-01 Ec_ueg -0.9155638E-02 Delta_ex -0.6812422E-01 Delta_ec 0.1545280E-01 Delta_et -0.2074224E+00 Pxc 0.7069184E+01 Qxc -0.4408536E+01 3,-1 136 3 -1 1.999967 3.035460 -0.883286 Rho 0.1019236E+00 |GRAD(Rho)| 0.7662752E-14 GRAD(Rho)x 0.4730604E-14 GRAD(Rho)y -0.3146612E-14 GRAD(Rho)z 0.5141788E-14 Laplacian 0.4202719E+00 (-1/4)Del**2(Rho)) -0.1050680E+00 Diamond 0.5542452E+00 Metallicity 0.3646479E+01 Ellipticity 0.4883889E-02 Gb(Abramov) 0.1339000E+00 Vb(Abramov) -0.1627321E+00 Hb(Abramov) -0.2883204E-01 Ex_ueg -0.3516288E-01 Ec_ueg -0.5441721E-02 Delta_ex -0.4146234E-01 Delta_ec 0.1224733E-01 Delta_et -0.1534386E+00 Pxc 0.6461721E+01 Qxc -0.3385419E+01 3,-1 137 3 -1 0.419533 -0.531142 0.410777 Rho 0.1789966E+00 |GRAD(Rho)| 0.1824678E-15 GRAD(Rho)x 0.1734723E-16 GRAD(Rho)y 0.1595946E-15 GRAD(Rho)z 0.8673617E-16 Laplacian 0.4627397E+00 (-1/4)Del**2(Rho)) -0.1156849E+00 Diamond 0.1184866E+01 Metallicity 0.8466117E+01 Ellipticity 0.8146611E-02 Gb(Abramov) 0.2403570E+00 Vb(Abramov) -0.3650290E+00 Hb(Abramov) -0.1246720E+00 Ex_ueg -0.7450373E-01 Ec_ueg -0.1032489E-01 Delta_ex -0.5212633E-01 Delta_ec 0.1157949E-01 Delta_et -0.1585928E+00 Pxc 0.7215936E+01 Qxc -0.4501609E+01 3,-1 138 3 +3 2.371152 0.019026 -0.010252 Rho 0.3670971E-02 |GRAD(Rho)| 0.1127032E-13 GRAD(Rho)x -0.4984239E-14 GRAD(Rho)y -0.3054642E-14 GRAD(Rho)z -0.9635700E-14 Laplacian 0.1477696E-01 (-1/4)Del**2(Rho)) -0.3694240E-02 Diamond 0.1004816E-03 Metallicity 0.4073767E+00 Ellipticity -0.2738685E+00 Gb(Abramov) 0.2713652E-02 Vb(Abramov) -0.1733063E-02 Hb(Abramov) 0.9805889E-03 Ex_ueg -0.4182407E-03 Ec_ueg -0.9017538E-04 Delta_ex -0.5149955E-03 Delta_ec 0.1472296E-03 Delta_et -0.8600365E-03 Pxc 0.4638080E+01 Qxc -0.3497907E+01 3,+3 139 3 +3 1.880843 -1.924301 1.949300 Rho 0.1175929E-01 |GRAD(Rho)| 0.1484427E-12 GRAD(Rho)x -0.5536167E-13 GRAD(Rho)y -0.1296256E-12 GRAD(Rho)z -0.4655648E-13 Laplacian 0.5193528E-01 (-1/4)Del**2(Rho)) -0.1298382E-01 Diamond 0.1119462E-02 Metallicity 0.8068368E+00 Ellipticity -0.7088252E+00 Gb(Abramov) 0.1040185E-01 Vb(Abramov) -0.7819882E-02 Hb(Abramov) 0.2581970E-02 Ex_ueg -0.1974967E-02 Ec_ueg -0.4484683E-03 Delta_ex -0.2270692E-02 Delta_ec 0.1946332E-03 Delta_et -0.1824605E-02 Pxc 0.4403804E+01 Qxc -0.1166652E+02 3,+3 140 3 -1 1.756838 1.708885 -0.570546 Rho 0.3381622E-01 |GRAD(Rho)| 0.7911736E-16 GRAD(Rho)x 0.6087075E-16 GRAD(Rho)y 0.5029343E-16 GRAD(Rho)z 0.4987965E-17 Laplacian 0.1414355E+00 (-1/4)Del**2(Rho)) -0.3535888E-01 Diamond 0.4491635E-01 Metallicity 0.1722912E+01 Ellipticity 0.5952974E-01 Gb(Abramov) 0.3372596E-01 Vb(Abramov) -0.3209304E-01 Hb(Abramov) 0.1632921E-02 Ex_ueg -0.8076411E-02 Ec_ueg -0.1542080E-02 Delta_ex -0.1076747E-01 Delta_ec 0.4586417E-02 Delta_et -0.4354753E-01 Pxc 0.5237348E+01 Qxc -0.2347687E+01 3,-1 141 3 +1 1.785158 1.800407 1.792407 Rho 0.1139553E-01 |GRAD(Rho)| 0.4574978E-14 GRAD(Rho)x 0.1699844E-14 GRAD(Rho)y -0.3935207E-14 GRAD(Rho)z 0.1598468E-14 Laplacian 0.5264137E-01 (-1/4)Del**2(Rho)) -0.1316034E-01 Diamond 0.1853350E-02 Metallicity 0.7553993E+00 Ellipticity -0.1259075E+01 Gb(Abramov) 0.1043045E-01 Vb(Abramov) -0.7700552E-02 Hb(Abramov) 0.2729895E-02 Ex_ueg -0.1893931E-02 Ec_ueg -0.4317367E-03 Delta_ex -0.2518002E-02 Delta_ec 0.6215342E-03 Delta_et -0.4650504E-02 Pxc 0.4386773E+01 Qxc -0.4051268E+01 3,+1 142 3 -1 0.865904 2.013556 -3.045152 Rho 0.1709617E+00 |GRAD(Rho)| 0.3681636E-15 GRAD(Rho)x -0.2350008E-15 GRAD(Rho)y 0.2644369E-15 GRAD(Rho)z 0.1019421E-15 Laplacian 0.6717412E+00 (-1/4)Del**2(Rho)) -0.1679353E+00 Diamond 0.1576759E+01 Metallicity 0.5402267E+01 Ellipticity 0.6439969E-01 Gb(Abramov) 0.2631621E+00 Vb(Abramov) -0.3583888E+00 Hb(Abramov) -0.9522678E-01 Ex_ueg -0.7007831E-01 Ec_ueg -0.9798607E-02 Delta_ex -0.7438195E-01 Delta_ec 0.1624760E-01 Delta_et -0.2192550E+00 Pxc 0.7151864E+01 Qxc -0.4578028E+01 3,-1 143 3 +1 3.008120 0.093276 -0.096360 Rho 0.4288144E-02 |GRAD(Rho)| 0.1786739E-17 GRAD(Rho)x 0.8894007E-18 GRAD(Rho)y -0.1467091E-17 GRAD(Rho)z 0.4990451E-18 Laplacian 0.1647123E-01 (-1/4)Del**2(Rho)) -0.4117807E-02 Diamond 0.3078623E-03 Metallicity 0.4735177E+00 Ellipticity -0.2878220E+01 Gb(Abramov) 0.3070180E-02 Vb(Abramov) -0.2022554E-02 Hb(Abramov) 0.1047627E-02 Ex_ueg -0.5145303E-03 Ec_ueg -0.1164086E-03 Delta_ex -0.7900269E-03 Delta_ec 0.5092522E-03 Delta_et -0.2644669E-02 Pxc 0.4420038E+01 Qxc -0.1551347E+01 3,+1 144 3 +3 1.955026 1.916243 -1.961898 Rho 0.1119552E-01 |GRAD(Rho)| 0.2142682E-14 GRAD(Rho)x -0.1339729E-14 GRAD(Rho)y -0.1186063E-14 GRAD(Rho)z 0.1178756E-14 Laplacian 0.4732017E-01 (-1/4)Del**2(Rho)) -0.1183004E-01 Diamond 0.1050706E-02 Metallicity 0.8159068E+00 Ellipticity -0.7979546E+00 Gb(Abramov) 0.9495397E-02 Vb(Abramov) -0.7160751E-02 Hb(Abramov) 0.2334645E-02 Ex_ueg -0.1849740E-02 Ec_ueg -0.4225598E-03 Delta_ex -0.2070465E-02 Delta_ec 0.2331096E-03 Delta_et -0.2021687E-02 Pxc 0.4377463E+01 Qxc -0.8881939E+01 3,+3 145 3 +1 2.037458 2.016454 -2.050006 Rho 0.1123815E-01 |GRAD(Rho)| 0.1792154E-16 GRAD(Rho)x 0.1656374E-16 GRAD(Rho)y -0.2271658E-17 GRAD(Rho)z 0.6454735E-17 Laplacian 0.4780892E-01 (-1/4)Del**2(Rho)) -0.1195223E-01 Diamond 0.1349586E-02 Metallicity 0.8126972E+00 Ellipticity -0.1135002E+01 Gb(Abramov) 0.9587078E-02 Vb(Abramov) -0.7221925E-02 Hb(Abramov) 0.2365153E-02 Ex_ueg -0.1859137E-02 Ec_ueg -0.4245144E-03 Delta_ex -0.2183215E-02 Delta_ec 0.3945312E-03 Delta_et -0.3090637E-02 Pxc 0.4379443E+01 Qxc -0.5533695E+01 3,+1 146 3 -1 1.678170 -1.825894 0.462477 Rho 0.4397074E-01 |GRAD(Rho)| 0.2714764E-16 GRAD(Rho)x 0.2671627E-16 GRAD(Rho)y -0.8775261E-18 GRAD(Rho)z -0.4739785E-17 Laplacian 0.1717130E+00 (-1/4)Del**2(Rho)) -0.4292824E-01 Diamond 0.7302254E-01 Metallicity 0.2198280E+01 Ellipticity 0.2465108E-01 Gb(Abramov) 0.4434688E-01 Vb(Abramov) -0.4576551E-01 Hb(Abramov) -0.1418637E-02 Ex_ueg -0.1146226E-01 Ec_ueg -0.2084414E-02 Delta_ex -0.1368256E-01 Delta_ec 0.5114639E-02 Delta_et -0.5213486E-01 Pxc 0.5499030E+01 Qxc -0.2675177E+01 3,-1 147 3 +1 2.151544 -1.441607 1.056681 Rho 0.2557947E-01 |GRAD(Rho)| 0.2155158E-14 GRAD(Rho)x 0.9040113E-15 GRAD(Rho)y -0.1628563E-14 GRAD(Rho)z -0.1084091E-14 Laplacian 0.9987982E-01 (-1/4)Del**2(Rho)) -0.2496996E-01 Diamond 0.1334463E-01 Metallicity 0.1532103E+01 Ellipticity -0.3552974E+01 Gb(Abramov) 0.2302273E-01 Vb(Abramov) -0.2107550E-01 Hb(Abramov) 0.1947229E-02 Ex_ueg -0.5566391E-02 Ec_ueg -0.1117934E-02 Delta_ex -0.6235694E-02 Delta_ec 0.1669078E-02 Delta_et -0.1482149E-01 Pxc 0.4979179E+01 Qxc -0.3736010E+01 3,+1 148 3 -1 1.950528 -0.657589 -3.097828 Rho 0.2007386E+00 |GRAD(Rho)| 0.1019038E-13 GRAD(Rho)x -0.9110009E-15 GRAD(Rho)y 0.1003494E-13 GRAD(Rho)z -0.1521136E-14 Laplacian 0.7876391E+00 (-1/4)Del**2(Rho)) -0.1969098E+00 Diamond 0.2234354E+01 Metallicity 0.6021030E+01 Ellipticity 0.1226140E-01 Gb(Abramov) 0.3288731E+00 Vb(Abramov) -0.4608364E+00 Hb(Abramov) -0.1319633E+00 Ex_ueg -0.8680797E-01 Ec_ueg -0.1176746E-01 Delta_ex -0.9078293E-01 Delta_ec 0.1815530E-01 Delta_et -0.2484099E+00 Pxc 0.7376951E+01 Qxc -0.5000354E+01 3,-1 149 3 -1 1.736638 -0.574345 1.715800 Rho 0.3599690E-01 |GRAD(Rho)| 0.5761044E-16 GRAD(Rho)x -0.2792414E-16 GRAD(Rho)y -0.1956932E-16 GRAD(Rho)z -0.4643540E-16 Laplacian 0.1393271E+00 (-1/4)Del**2(Rho)) -0.3483178E-01 Diamond 0.4348947E-01 Metallicity 0.1940972E+01 Ellipticity 0.6429355E-01 Gb(Abramov) 0.3448911E-01 Vb(Abramov) -0.3414643E-01 Hb(Abramov) 0.3426765E-03 Ex_ueg -0.8778193E-02 Ec_ueg -0.1656884E-02 Delta_ex -0.1045521E-01 Delta_ec 0.3958855E-02 Delta_et -0.3822469E-01 Pxc 0.5298012E+01 Qxc -0.2640968E+01 3,-1 150 3 -1 2.004153 -0.832048 3.054901 Rho 0.1355651E+00 |GRAD(Rho)| 0.1782856E-15 GRAD(Rho)x 0.1177173E-15 GRAD(Rho)y 0.1299958E-15 GRAD(Rho)z 0.3208561E-16 Laplacian 0.5295272E+00 (-1/4)Del**2(Rho)) -0.1323818E+00 Diamond 0.9485834E+00 Metallicity 0.4655552E+01 Ellipticity 0.1263557E-01 Gb(Abramov) 0.1909729E+00 Vb(Abramov) -0.2495640E+00 Hb(Abramov) -0.5859112E-01 Ex_ueg -0.5143381E-01 Ec_ueg -0.7525975E-02 Delta_ex -0.5545932E-01 Delta_ec 0.1373798E-01 Delta_et -0.1801008E+00 Pxc 0.6834173E+01 Qxc -0.4036934E+01 3,-1 151 3 -1 1.725869 0.423624 -1.825709 Rho 0.3390808E-01 |GRAD(Rho)| 0.8838048E-16 GRAD(Rho)x -0.5602107E-16 GRAD(Rho)y 0.4419130E-16 GRAD(Rho)z 0.5215245E-16 Laplacian 0.1420634E+00 (-1/4)Del**2(Rho)) -0.3551586E-01 Diamond 0.4634382E-01 Metallicity 0.1723070E+01 Ellipticity 0.2179102E-01 Gb(Abramov) 0.3387662E-01 Vb(Abramov) -0.3223738E-01 Hb(Abramov) 0.1639237E-02 Ex_ueg -0.8105677E-02 Ec_ueg -0.1546897E-02 Delta_ex -0.1089910E-01 Delta_ec 0.4743816E-02 Delta_et -0.4507787E-01 Pxc 0.5239961E+01 Qxc -0.2297539E+01 3,-1 152 3 -1 1.833471 0.539527 2.818348 Rho 0.1402551E+00 |GRAD(Rho)| 0.2365204E-15 GRAD(Rho)x 0.2266796E-15 GRAD(Rho)y 0.6520121E-16 GRAD(Rho)z 0.1752342E-16 Laplacian 0.5724373E+00 (-1/4)Del**2(Rho)) -0.1431093E+00 Diamond 0.1063347E+01 Metallicity 0.4557743E+01 Ellipticity 0.1780107E-01 Gb(Abramov) 0.2041155E+00 Vb(Abramov) -0.2651216E+00 Hb(Abramov) -0.6100615E-01 Ex_ueg -0.5381997E-01 Ec_ueg -0.7822651E-02 Delta_ex -0.6039830E-01 Delta_ec 0.1463429E-01 Delta_et -0.1926505E+00 Pxc 0.6880016E+01 Qxc -0.4127175E+01 3,-1 153 3 -1 2.003410 0.815946 -3.092591 Rho 0.8812278E-01 |GRAD(Rho)| 0.4412919E-15 GRAD(Rho)x 0.3985392E-15 GRAD(Rho)y 0.1812989E-15 GRAD(Rho)z 0.5509780E-16 Laplacian 0.3666989E+00 (-1/4)Del**2(Rho)) -0.9167474E-01 Diamond 0.4069874E+00 Metallicity 0.3279320E+01 Ellipticity 0.1246651E-01 Gb(Abramov) 0.1112216E+00 Vb(Abramov) -0.1307685E+00 Hb(Abramov) -0.1954689E-01 Ex_ueg -0.2896250E-01 Ec_ueg -0.4611377E-02 Delta_ex -0.3502163E-01 Delta_ec 0.1106951E-01 Delta_et -0.1345175E+00 Pxc 0.6280661E+01 Qxc -0.3163794E+01 3,-1 154 3 -1 1.807480 -3.040381 -0.555829 Rho 0.2163930E+00 |GRAD(Rho)| 0.5680634E-11 GRAD(Rho)x -0.3979742E-11 GRAD(Rho)y -0.2136323E-11 GRAD(Rho)z -0.3444907E-11 Laplacian 0.8376134E+00 (-1/4)Del**2(Rho)) -0.2094034E+00 Diamond 0.2593816E+01 Metallicity 0.6416649E+01 Ellipticity 0.1587501E-01 Gb(Abramov) 0.3635469E+00 Vb(Abramov) -0.5176904E+00 Hb(Abramov) -0.1541435E+00 Ex_ueg -0.9594951E-01 Ec_ueg -0.1282252E-01 Delta_ex -0.9838443E-01 Delta_ec 0.1883104E-01 Delta_et -0.2586515E+00 Pxc 0.7482892E+01 Qxc -0.5224588E+01 3,-1 155 3 -1 1.987903 -3.083281 0.864434 Rho 0.1276287E+00 |GRAD(Rho)| 0.1789445E-09 GRAD(Rho)x -0.8384678E-10 GRAD(Rho)y -0.6845039E-10 GRAD(Rho)z 0.1424970E-09 Laplacian 0.4891779E+00 (-1/4)Del**2(Rho)) -0.1222945E+00 Diamond 0.8198354E+00 Metallicity 0.4557505E+01 Ellipticity 0.1160230E-01 Gb(Abramov) 0.1744226E+00 Vb(Abramov) -0.2265507E+00 Hb(Abramov) -0.5212813E-01 Ex_ueg -0.4745876E-01 Ec_ueg -0.7027213E-02 Delta_ex -0.5055141E-01 Delta_ec 0.1298209E-01 Delta_et -0.1687493E+00 Pxc 0.6753567E+01 Qxc -0.3893934E+01 3,-1 156 3 -1 2.759720 -1.927951 -0.594130 Rho 0.1563032E+00 |GRAD(Rho)| 0.1626187E-11 GRAD(Rho)x 0.4456789E-12 GRAD(Rho)y 0.1209244E-11 GRAD(Rho)z -0.9917575E-12 Laplacian 0.6392160E+00 (-1/4)Del**2(Rho)) -0.1598040E+00 Diamond 0.1352880E+01 Metallicity 0.4889284E+01 Ellipticity 0.8403517E-02 Gb(Abramov) 0.2367572E+00 Vb(Abramov) -0.3137104E+00 Hb(Abramov) -0.7695319E-01 Ex_ueg -0.6218355E-01 Ec_ueg -0.8848222E-02 Delta_ex -0.6926904E-01 Delta_ec 0.1591534E-01 Delta_et -0.2127144E+00 Pxc 0.7027802E+01 Qxc -0.4352343E+01 3,-1 157 3 -1 1.860614 2.843196 0.558479 Rho 0.1088422E+00 |GRAD(Rho)| 0.1855352E-13 GRAD(Rho)x -0.1603508E-13 GRAD(Rho)y -0.9010659E-14 GRAD(Rho)z 0.2432570E-14 Laplacian 0.4714162E+00 (-1/4)Del**2(Rho)) -0.1178541E+00 Diamond 0.6675434E+00 Metallicity 0.3626913E+01 Ellipticity 0.2640158E-01 Gb(Abramov) 0.1498104E+00 Vb(Abramov) -0.1817668E+00 Hb(Abramov) -0.3195639E-01 Ex_ueg -0.3838085E-01 Ec_ueg -0.5863722E-02 Delta_ex -0.4713922E-01 Delta_ec 0.1339493E-01 Delta_et -0.1698364E+00 Pxc 0.6545475E+01 Qxc -0.3519184E+01 3,-1 158 3 -1 2.837109 0.570162 1.865375 Rho 0.1518712E+00 |GRAD(Rho)| 0.3108388E-13 GRAD(Rho)x -0.7340103E-14 GRAD(Rho)y 0.3015277E-13 GRAD(Rho)z 0.1772210E-14 Laplacian 0.6297528E+00 (-1/4)Del**2(Rho)) -0.1574382E+00 Diamond 0.1286500E+01 Metallicity 0.4730444E+01 Ellipticity 0.1541840E-01 Gb(Abramov) 0.2290842E+00 Vb(Abramov) -0.3007303E+00 Hb(Abramov) -0.7164602E-01 Ex_ueg -0.5984375E-01 Ec_ueg -0.8563402E-02 Delta_ex -0.6774949E-01 Delta_ec 0.1577444E-01 Delta_et -0.2099854E+00 Pxc 0.6988314E+01 Qxc -0.4294892E+01 3,-1 159 3 -1 3.041813 0.803257 -2.065474 Rho 0.7983206E-01 |GRAD(Rho)| 0.5151533E-13 GRAD(Rho)x -0.2128259E-13 GRAD(Rho)y -0.3733385E-13 GRAD(Rho)z -0.2840887E-13 Laplacian 0.3357625E+00 (-1/4)Del**2(Rho)) -0.8394064E-01 Diamond 0.3227615E+00 Metallicity 0.3037688E+01 Ellipticity 0.4783610E-02 Gb(Abramov) 0.9845800E-01 Vb(Abramov) -0.1129754E+00 Hb(Abramov) -0.1451736E-01 Ex_ueg -0.2538759E-01 Ec_ueg -0.4120528E-02 Delta_ex -0.3118262E-01 Delta_ec 0.1001788E-01 Delta_et -0.1188089E+00 Pxc 0.6161248E+01 Qxc -0.3112696E+01 3,-1 160 3 -1 3.211692 -3.290842 -0.056541 Rho 0.2216629E+00 |GRAD(Rho)| 0.1446004E-15 GRAD(Rho)x 0.1313511E-15 GRAD(Rho)y 0.6044427E-16 GRAD(Rho)z 0.1633080E-17 Laplacian 0.8160568E+00 (-1/4)Del**2(Rho)) -0.2040142E+00 Diamond 0.2630779E+01 Metallicity 0.6855638E+01 Ellipticity 0.9225628E-02 Gb(Abramov) 0.3691174E+00 Vb(Abramov) -0.5342206E+00 Hb(Abramov) -0.1651032E+00 Ex_ueg -0.9907768E-01 Ec_ueg -0.1318074E-01 Delta_ex -0.9662617E-01 Delta_ec 0.1853227E-01 Delta_et -0.2561291E+00 Pxc 0.7516851E+01 Qxc -0.5213942E+01 3,-1 161 3 -1 2.941908 -2.057443 0.842752 Rho 0.8684829E-01 |GRAD(Rho)| 0.1070596E-14 GRAD(Rho)x -0.4570505E-15 GRAD(Rho)y -0.7526633E-15 GRAD(Rho)z -0.6089150E-15 Laplacian 0.3406996E+00 (-1/4)Del**2(Rho)) -0.8517489E-01 Diamond 0.3531004E+00 Metallicity 0.3444903E+01 Ellipticity 0.1101118E-01 Gb(Abramov) 0.1056865E+00 Vb(Abramov) -0.1261981E+00 Hb(Abramov) -0.2051158E-01 Ex_ueg -0.2840535E-01 Ec_ueg -0.4535513E-02 Delta_ex -0.3205147E-01 Delta_ec 0.9636665E-02 Delta_et -0.1161148E+00 Pxc 0.6262874E+01 Qxc -0.3325992E+01 3,-1 162 3 -1 3.073125 2.026401 -0.877017 Rho 0.1586960E+00 |GRAD(Rho)| 0.2029455E-15 GRAD(Rho)x -0.3943785E-16 GRAD(Rho)y -0.4363914E-16 GRAD(Rho)z -0.1942348E-15 Laplacian 0.6337614E+00 (-1/4)Del**2(Rho)) -0.1584404E+00 Diamond 0.1386099E+01 Metallicity 0.5057826E+01 Ellipticity 0.2706602E-01 Gb(Abramov) 0.2391875E+00 Vb(Abramov) -0.3199347E+00 Hb(Abramov) -0.8074716E-01 Ex_ueg -0.6345603E-01 Ec_ueg -0.9002485E-02 Delta_ex -0.6912241E-01 Delta_ec 0.1605000E-01 Delta_et -0.2157678E+00 Pxc 0.7048724E+01 Qxc -0.4306693E+01 3,-1 163 3 -1 2.859196 1.826578 0.599216 Rho 0.1138137E+00 |GRAD(Rho)| 0.2279401E-11 GRAD(Rho)x 0.2765143E-12 GRAD(Rho)y -0.1635695E-11 GRAD(Rho)z 0.1563238E-11 Laplacian 0.4888142E+00 (-1/4)Del**2(Rho)) -0.1222035E+00 Diamond 0.7373422E+00 Metallicity 0.3768140E+01 Ellipticity 0.1380695E-01 Gb(Abramov) 0.1582157E+00 Vb(Abramov) -0.1942279E+00 Hb(Abramov) -0.3601216E-01 Ex_ueg -0.4073595E-01 Ec_ueg -0.6169180E-02 Delta_ex -0.4949219E-01 Delta_ec 0.1392866E-01 Delta_et -0.1783774E+00 Pxc 0.6603138E+01 Qxc -0.3553263E+01 3,-1 164 3 -1 3.291586 3.261914 0.037753 Rho 0.2014597E+00 |GRAD(Rho)| 0.4223239E-08 GRAD(Rho)x -0.2844533E-08 GRAD(Rho)y -0.3027991E-08 GRAD(Rho)z -0.7587201E-09 Laplacian 0.7547894E+00 (-1/4)Del**2(Rho)) -0.1886973E+00 Diamond 0.2173016E+01 Metallicity 0.6320735E+01 Ellipticity 0.1006729E-01 Gb(Abramov) 0.3245826E+00 Vb(Abramov) -0.4604678E+00 Hb(Abramov) -0.1358852E+00 Ex_ueg -0.8722398E-01 Ec_ueg -0.1181576E-01 Delta_ex -0.8722856E-01 Delta_ec 0.1765215E-01 Delta_et -0.2425522E+00 Pxc 0.7382005E+01 Qxc -0.4941526E+01 3,-1 165 3 -1 3.246856 0.045988 3.243141 Rho 0.2272303E+00 |GRAD(Rho)| 0.1952132E-12 GRAD(Rho)x -0.1343899E-12 GRAD(Rho)y -0.3496124E-13 GRAD(Rho)z -0.1372052E-12 Laplacian 0.8246740E+00 (-1/4)Del**2(Rho)) -0.2061685E+00 Diamond 0.2742748E+01 Metallicity 0.7070355E+01 Ellipticity 0.2637545E-02 Gb(Abramov) 0.3803931E+00 Vb(Abramov) -0.5546177E+00 Hb(Abramov) -0.1742246E+00 Ex_ueg -0.1024094E+00 Ec_ueg -0.1356085E-01 Delta_ex -0.9829678E-01 Delta_ec 0.1863259E-01 Delta_et -0.2580101E+00 Pxc 0.7551847E+01 Qxc -0.5275528E+01 3,-1 166 3 -1 2.999603 -0.864447 2.034202 Rho 0.1665053E+00 |GRAD(Rho)| 0.3445639E-15 GRAD(Rho)x 0.3340698E-16 GRAD(Rho)y -0.1301314E-15 GRAD(Rho)z -0.3172918E-15 Laplacian 0.6507235E+00 (-1/4)Del**2(Rho)) -0.1626809E+00 Diamond 0.1484719E+01 Metallicity 0.5336587E+01 Ellipticity 0.5014832E-01 Gb(Abramov) 0.2531474E+00 Vb(Abramov) -0.3436139E+00 Hb(Abramov) -0.9046649E-01 Ex_ueg -0.6765335E-01 Ec_ueg -0.9508334E-02 Delta_ex -0.7162305E-01 Delta_ec 0.1592456E-01 Delta_et -0.2144615E+00 Pxc 0.7115163E+01 Qxc -0.4497646E+01 3,-1 167 3 -1 2.805539 -0.694724 -1.862593 Rho 0.1088596E+00 |GRAD(Rho)| 0.3105465E-15 GRAD(Rho)x -0.7244842E-16 GRAD(Rho)y 0.2442165E-15 GRAD(Rho)z -0.1776194E-15 Laplacian 0.4688446E+00 (-1/4)Del**2(Rho)) -0.1172112E+00 Diamond 0.6706084E+00 Metallicity 0.3647782E+01 Ellipticity 0.3744079E-02 Gb(Abramov) 0.1494009E+00 Vb(Abramov) -0.1815906E+00 Hb(Abramov) -0.3218974E-01 Ex_ueg -0.3838906E-01 Ec_ueg -0.5864792E-02 Delta_ex -0.4698430E-01 Delta_ec 0.1350077E-01 Delta_et -0.1714271E+00 Pxc 0.6545681E+01 Qxc -0.3480120E+01 3,-1 168 3 -1 -3.291960 -3.139441 0.101076 Rho 0.2288449E+00 |GRAD(Rho)| 0.5168371E-08 GRAD(Rho)x 0.3813580E-08 GRAD(Rho)y 0.3364813E-08 GRAD(Rho)z -0.9201609E-09 Laplacian 0.8598322E+00 (-1/4)Del**2(Rho)) -0.2149580E+00 Diamond 0.2862761E+01 Metallicity 0.6861747E+01 Ellipticity 0.2703516E-02 Gb(Abramov) 0.3891367E+00 Vb(Abramov) -0.5633153E+00 Hb(Abramov) -0.1741786E+00 Ex_ueg -0.1033808E+00 Ec_ueg -0.1367140E-01 Delta_ex -0.1025546E+00 Delta_ec 0.1917079E-01 Delta_et -0.2646632E+00 Pxc 0.7561831E+01 Qxc -0.5349522E+01 3,-1 169 3 -1 -2.820276 -1.771281 0.581656 Rho 0.1517957E+00 |GRAD(Rho)| 0.1550079E-14 GRAD(Rho)x 0.3286894E-15 GRAD(Rho)y -0.1061569E-14 GRAD(Rho)z -0.1080638E-14 Laplacian 0.6351059E+00 (-1/4)Del**2(Rho)) -0.1587765E+00 Diamond 0.1296542E+01 Metallicity 0.4686689E+01 Ellipticity 0.2111723E-01 Gb(Abramov) 0.2298736E+00 Vb(Abramov) -0.3009708E+00 Hb(Abramov) -0.7109716E-01 Ex_ueg -0.5980410E-01 Ec_ueg -0.8558563E-02 Delta_ex -0.6831583E-01 Delta_ec 0.1590842E-01 Delta_et -0.2117499E+00 Pxc 0.6987634E+01 Qxc -0.4294320E+01 3,-1 170 3 -1 -2.202062 -0.843927 -3.287127 Rho 0.2239675E+00 |GRAD(Rho)| 0.9128831E-15 GRAD(Rho)x -0.1046255E-16 GRAD(Rho)y 0.6524187E-15 GRAD(Rho)z 0.6384324E-15 Laplacian 0.8744876E+00 (-1/4)Del**2(Rho)) -0.2186219E+00 Diamond 0.2806684E+01 Metallicity 0.6508805E+01 Ellipticity 0.9733968E-02 Gb(Abramov) 0.3829091E+00 Vb(Abramov) -0.5471964E+00 Hb(Abramov) -0.1642872E+00 Ex_ueg -0.1004535E+00 Ec_ueg -0.1333788E-01 Delta_ex -0.1035435E+00 Delta_ec 0.1930286E-01 Delta_et -0.2649293E+00 Pxc 0.7531446E+01 Qxc -0.5364151E+01 3,-1 171 3 -1 -0.564246 -0.521903 -0.520188 Rho 0.1841522E+00 |GRAD(Rho)| 0.1786344E-15 GRAD(Rho)x 0.1700029E-15 GRAD(Rho)y 0.5204170E-16 GRAD(Rho)z -0.1734723E-16 Laplacian 0.4834562E+00 (-1/4)Del**2(Rho)) -0.1208641E+00 Diamond 0.1268141E+01 Metallicity 0.8496056E+01 Ellipticity 0.2861884E-01 Gb(Abramov) 0.2517207E+00 Vb(Abramov) -0.3825773E+00 Hb(Abramov) -0.1308566E+00 Ex_ueg -0.7737859E-01 Ec_ueg -0.1066453E-01 Delta_ex -0.5475237E-01 Delta_ec 0.1183686E-01 Delta_et -0.1621247E+00 Pxc 0.7255694E+01 Qxc -0.4625583E+01 3,-1 172 3 -1 -0.092296 3.175345 -3.210752 Rho 0.2282029E+00 |GRAD(Rho)| 0.8253739E-14 GRAD(Rho)x 0.2048600E-14 GRAD(Rho)y -0.5848783E-14 GRAD(Rho)z 0.5451531E-14 Laplacian 0.8514386E+00 (-1/4)Del**2(Rho)) -0.2128596E+00 Diamond 0.2828503E+01 Metallicity 0.6897022E+01 Ellipticity 0.2687719E-03 Gb(Abramov) 0.3865894E+00 Vb(Abramov) -0.5603191E+00 Hb(Abramov) -0.1737297E+00 Ex_ueg -0.1029943E+00 Ec_ueg -0.1362742E-01 Delta_ex -0.1014978E+00 Delta_ec 0.1903222E-01 Delta_et -0.2628545E+00 Pxc 0.7557870E+01 Qxc -0.5332949E+01 3,-1 173 3 -1 0.888760 -3.040236 2.063431 Rho 0.1322128E+00 |GRAD(Rho)| 0.2994525E-13 GRAD(Rho)x -0.1954077E-13 GRAD(Rho)y 0.1419572E-13 GRAD(Rho)z 0.1770193E-13 Laplacian 0.5406039E+00 (-1/4)Del**2(Rho)) -0.1351510E+00 Diamond 0.9618001E+00 Metallicity 0.4373775E+01 Ellipticity 0.4436697E-01 Gb(Abramov) 0.1886206E+00 Vb(Abramov) -0.2420903E+00 Hb(Abramov) -0.5346966E-01 Ex_ueg -0.4974503E-01 Ec_ueg -0.7314795E-02 Delta_ex -0.5653729E-01 Delta_ec 0.1457477E-01 Delta_et -0.1912105E+00 Pxc 0.6800605E+01 Qxc -0.3879121E+01 3,-1 174 3 -1 3.359824 -0.113047 -3.272067 Rho 0.1925356E+00 |GRAD(Rho)| 0.6318306E-15 GRAD(Rho)x 0.4166589E-15 GRAD(Rho)y -0.3499940E-16 GRAD(Rho)z -0.4736879E-15 Laplacian 0.7217513E+00 (-1/4)Del**2(Rho)) -0.1804378E+00 Diamond 0.1977899E+01 Metallicity 0.6129297E+01 Ellipticity 0.2482388E-01 Gb(Abramov) 0.3046181E+00 Vb(Abramov) -0.4287983E+00 Hb(Abramov) -0.1241802E+00 Ex_ueg -0.8211071E-01 Ec_ueg -0.1122006E-01 Delta_ex -0.8252532E-01 Delta_ec 0.1721775E-01 Delta_et -0.2360994E+00 Pxc 0.7318208E+01 Qxc -0.4793038E+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 75 103 111 126 131 173 125 137 171 121 122 118 105 115 142 135 172 85 129 134 107 114 120 146 156 154 161 155 160 140 163 157 162 136 164 98 82 90 88 91 62 57 169 97 63 80 168 100 72 92 58 170 73 55 71 101 78 94 74 149 158 152 166 150 165 151 167 148 159 153 174 53 112 75 124 104 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 17 21 21 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 19 28 36 52 52 2.417475 2.041627 2.029668 1.983994 1.969208 1.803292 1.716295 1.703084 1.710198 1.728752 2.352173 1.972540 2.009516 1.872598 1.897431 1.762077 2.428536 1.988226 1.912668 2.118946 2.024855 1.809748 2.421285 1.899976 1.781442 2.146455 1.991641 1.773738 2.520374 2.015999 2.038275 1.902125 2.068781 1.810519 2.397674 1.850831 1.912103 2.001471 1.954030 1.767645 2.319027 1.909782 1.902964 1.964401 1.980092 1.760871 2.337710 2.143131 1.933418 1.979751 1.768481 1.773836 2.411972 2.009024 1.889901 1.947428 1.875814 1.761953 2.508693 1.910488 1.944600 1.884730 1.965594 1.764353 2.514862 2.031006 1.812116 2.175747 2.123594 1.828194 3.120563 3.228611 3.351027 1.882585 0.997417 2.419649 2.041814 2.029895 1.984312 1.969565 1.803301 1.716307 1.703139 1.710226 1.728758 2.354148 1.972953 2.009979 1.872996 1.897863 1.762089 2.430570 1.988523 1.912847 2.119252 2.025101 1.809753 2.422859 1.900302 1.781527 2.146886 1.992167 1.773757 2.522369 2.016275 2.038455 1.902355 2.069034 1.810532 2.399218 1.851159 1.912504 2.001962 1.954537 1.767657 2.321044 1.910263 1.903280 1.965029 1.981038 1.760888 2.339824 2.143492 1.933837 1.980303 1.768501 1.773854 2.413623 2.009409 1.890255 1.948019 1.876146 1.761967 2.510102 1.910835 1.944967 1.885211 1.966065 1.764364 2.516953 2.031189 1.812187 2.176061 2.123868 1.828208 3.122966 3.255278 3.351899 1.885241 0.997508 31 29 25 26 25 23 24 22 22 22 27 28 25 27 26 21 30 27 26 29 25 23 28 25 24 25 25 23 29 24 25 24 26 24 30 24 27 26 28 24 30 25 28 28 27 22 30 28 27 28 22 24 31 26 28 28 29 25 29 26 25 24 27 23 29 25 23 27 26 22 35 35 35 25 19 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 Ta As W Ta W Ta W W W W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.1838 2.4532 2.4031 2.1793 2.3247 2.1347 2.3993 2.4190 2.3641 2.4084 2.3806 1.9882 -1.1010 -1.0303 -1.0988 -1.1083 -0.9651 -1.0083 -0.9499 -0.9974 -0.9323 -1.0003 -0.9895 -0.9794 -0.9760 -0.9857 -1.0187 -0.8668 -0.9927 -1.0190 -1.0412 -1.0038 -1.0248 -0.9862 -0.9951 -0.8502 -0.8543 -1.0295 -1.0341 -1.0019 -0.9639 -1.0126 -0.8677 -0.9805 -0.9033 -0.9845 -0.8853 -0.8626 -0.8918 -0.8716 -0.8836 0.3097 2.1101 0.8513 2.1153 2.1124 2.1402 2.1270 2.1066 2.1214 2.1343 2.1092 2.1191 2.1558 1.9381 1.9454 1.9408 1.9326 1.9299 1.9264 1.9355 1.9251 1.9380 1.9245 1.9269 1.9280 1.9281 1.9267 1.9232 1.9562 1.9366 1.9344 1.9282 1.9345 1.9304 1.9365 1.9374 1.9487 1.8715 1.9318 1.9298 1.9342 1.9374 1.9298 1.9527 1.9352 1.9483 1.9350 1.9502 1.9536 1.9473 1.9528 1.9515 0.5515 6.0825 1.1555 6.1017 6.0786 6.1204 6.0928 6.0993 6.1072 6.0959 6.0989 6.1121 6.1163 5.1274 5.0481 5.1226 5.1403 5.0065 5.0555 4.9854 5.0456 4.9685 5.0500 5.0346 5.0242 5.0196 5.0316 5.0710 4.8797 5.0287 5.0556 5.0896 5.0402 5.0669 5.0206 5.0292 4.8709 4.9541 5.0714 5.0771 5.0392 5.0013 5.0601 4.8836 5.0208 4.9252 5.0251 4.9046 4.8775 4.9146 4.8874 4.9009 0.1388 2.5888 10.5401 3.3503 2.5951 3.3859 2.6113 3.3648 3.3228 3.3766 3.3539 3.3588 2.7069 0.0355 0.0368 0.0354 0.0355 0.0287 0.0264 0.0290 0.0267 0.0258 0.0259 0.0280 0.0272 0.0283 0.0274 0.0245 0.0310 0.0274 0.0290 0.0233 0.0291 0.0275 0.0290 0.0286 0.0306 0.0286 0.0263 0.0271 0.0285 0.0252 0.0227 0.0315 0.0245 0.0298 0.0244 0.0306 0.0315 0.0299 0.0315 0.0311 0.0000 14.0347 0.0000 14.0296 14.0346 14.0288 14.0342 14.0300 14.0297 14.0290 14.0297 14.0294 14.0327 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 Ta As W Ta W Ta W W W W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H 2.362744 2.310908 2.500545 2.351375 2.466464 2.344362 2.487338 2.516682 2.493340 2.493183 2.487079 2.303450 -1.088943 -1.030931 -1.085952 -1.096046 -0.992554 -1.034608 -0.989800 -1.031277 -1.036128 -1.038277 -0.998500 -1.011615 -1.003237 -1.011173 -1.062943 -0.868556 -1.012330 -1.001788 -1.092722 -1.009701 -1.038041 -1.006488 -1.011660 -0.911925 -0.671806 -1.043121 -1.044998 -1.017535 -1.057112 -1.134298 -0.921643 -1.080795 -0.967603 -1.087086 -0.945516 -0.913603 -0.951458 -0.925820 -0.941595 0.051714 1.834324 1.739554 1.939166 1.826980 1.910579 1.832339 1.911776 1.949011 1.938513 1.925918 1.921448 1.837868 -0.701517 -0.678303 -0.699147 -0.710143 -0.744809 -0.782894 -0.755569 -0.789296 -0.963501 -0.783453 -0.725831 -0.777901 -0.756148 -0.767840 -0.828254 -0.739255 -0.861226 -0.822370 -0.949029 -0.847499 -0.874193 -0.853591 -0.867882 -0.833330 -0.891540 -0.888688 -0.876955 -0.865922 -1.007897 -1.099482 -0.846999 -1.033545 -0.904262 -1.041204 -0.872741 -0.829591 -0.888352 -0.849637 -0.873008 0.315327 1.955743 1.677305 2.049455 1.949598 2.018765 1.954703 2.024155 2.064437 2.039821 2.038557 2.042591 1.944110 -0.782956 -0.754957 -0.786250 -0.787383 -0.832825 -0.866303 -0.819843 -0.881296 -0.983068 -0.872140 -0.825803 -0.856161 -0.837234 -0.881539 -0.913647 -0.799928 -0.890794 -0.863389 -0.985228 -0.885658 -0.907888 -0.883989 -0.885624 -0.810666 -0.876277 -0.929733 -0.923959 -0.884676 -0.977747 -1.080515 -0.813741 -1.007716 -0.866723 -1.016170 -0.835821 -0.805259 -0.871400 -0.814778 -0.835504 0.375346 -11.95478106 -5.42242656 -0.34057031 13.13146938 -17.65036509 -10.05335512 19.78278482 19.61877476 7.26441906 -1.96840967 -362.0235 414.7898 25.6390 -428.7437 -118.9362 -469.2747 Jun19-2024 22:06:53 Nodes: 1 Procs: 1 Jun19-2024 22:06:56 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:58 Nodes: 1 Procs: 1 Jun19-2024 22:07:00 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:07:03 Nodes: 1 Procs: 1 Jun19-2024 22:07:06 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:07:10 Nodes: 1 Procs: 1 Jun19-2024 22:07:11 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:07:14 Nodes: 1 Procs: 1 Jun19-2024 22:07:16 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 22:07:21 Nodes: 1 Procs: 5 *** (NO TITLE) *** -10 -16.75455170 -17.07668213 -17.09500331 -16.94365044 -17.09410565 -17.18659554 -17.20776768 -17.21511419 -17.22476346 -17.23296845 -17.23831922 -17.24138441 -17.24207164 -17.24341719 -17.24397005 -17.24450832 -17.24472861 -17.24511694 -17.24530397 -17.24542563 -17.24546612 -17.24549621 -17.24550495 -17.24552736 GEOMETRY CONVERGED