ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:49:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 5.95 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 Jun20-2024 21:49:02 Nodes: 1 Procs: 1 Jun20-2024 21:49:08 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:49:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 1.87 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 Jun20-2024 21:49:02 Nodes: 1 Procs: 1 Jun20-2024 21:49:08 Nodes: 1 Procs: 1 0 Jun20-2024 21:49:14 Nodes: 1 Procs: 1 Jun20-2024 21:49:18 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:49:21 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 3.83 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 Jun20-2024 21:49:02 Nodes: 1 Procs: 1 Jun20-2024 21:49:08 Nodes: 1 Procs: 1 0 Jun20-2024 21:49:14 Nodes: 1 Procs: 1 Jun20-2024 21:49:18 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 21:49:21 Nodes: 1 Procs: 1 Jun20-2024 21:49:27 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:49:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 3.08 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 Jun20-2024 21:49:02 Nodes: 1 Procs: 1 Jun20-2024 21:49:08 Nodes: 1 Procs: 1 0 Jun20-2024 21:49:14 Nodes: 1 Procs: 1 Jun20-2024 21:49:18 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 21:49:21 Nodes: 1 Procs: 1 Jun20-2024 21:49:27 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 21:49:32 Nodes: 1 Procs: 1 Jun20-2024 21:49:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:49:39 Hydrogen (TZP) c11-15 c11-15 c11-15 c11-15 c11-15 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 4.29 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 Jun20-2024 21:49:02 Nodes: 1 Procs: 1 Jun20-2024 21:49:08 Nodes: 1 Procs: 1 0 Jun20-2024 21:49:14 Nodes: 1 Procs: 1 Jun20-2024 21:49:18 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 21:49:21 Nodes: 1 Procs: 1 Jun20-2024 21:49:27 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 21:49:32 Nodes: 1 Procs: 1 Jun20-2024 21:49:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 21:49:39 Nodes: 1 Procs: 1 Jun20-2024 21:49:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 21:49:48 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2903.625000000006 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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 Jun20-2024 21:49:27 1 1 Tantalum TZP 4d t21.W ADF 2019.304 Jun20-2024 21:49:43 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun20-2024 21:49:34 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun20-2024 21:49:18 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun20-2024 21:49:08 1 1 Hydrogen TZP 1 1 -17.44115808 0.24228272 0.00100000 F 0.09314432 0.00066667 F 0.24228272 0.09314432 0.11925798 0.01000000 F 0.03519767 0.00666667 F Cartesian 2903.625000000006 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288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 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 -5.607 -5.574 -5.569 -5.565 -5.526 -5.497 -5.464 -5.389 -5.226 -5.196 -2.242 -2.180 -2.118 -1.917 -1.820 -1.721 -1.486 -1.438 -1.400 -1.370 A A A A A A A A A A A A A A A A A A A A 0.00000000063143 0.00044220986157 0.00031422183234 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 73 73 73 73 73 73 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 8 33 1 0.126129 -2.582645 2.596559 -0.120904 -2.581491 -2.601625 0.141528 2.562921 -2.625628 -0.066440 2.587091 2.611831 -2.567776 -0.127130 -2.651460 2.589152 -0.110841 2.618616 2.566866 -2.586672 0.120952 2.577736 2.579269 -0.089362 -2.497822 2.526610 0.101928 -2.572254 -2.566442 -0.127237 -2.559412 0.097436 2.579945 2.581857 0.093264 -2.565257 0.959620 -0.966074 1.001814 -0.990632 -0.977628 -1.010386 0.986521 0.977006 -0.998305 -0.991905 1.011289 0.938358 -3.018784 -1.115074 1.148921 3.024551 -1.147558 -1.151417 -3.028493 1.219250 -1.116711 3.037950 1.197512 1.131414 1.224069 -1.147309 -3.068757 1.217919 1.228755 3.131249 -1.196970 1.211066 -3.103890 -1.233404 -1.147643 3.083801 -1.177790 3.051531 -1.119048 -1.208407 -2.993791 1.138151 1.209561 3.096090 1.148657 1.190516 -3.006821 -1.137323 3.457063 -1.560485 1.470646 -3.467576 -1.531698 -1.477228 3.440596 1.506679 -1.515382 -3.418247 1.529449 1.495424 1.545390 -1.551604 3.503848 1.610931 1.497589 -3.480712 -1.580292 1.509906 3.437504 -1.557732 -1.565063 -3.532548 -1.580622 -3.471055 -1.495236 -1.583943 3.447824 1.477427 1.562431 -3.482624 1.488540 1.585397 3.441063 -1.501560 -0.234031 -3.862669 3.796616 0.239972 -3.866224 -3.795627 -0.154353 3.858270 -3.825865 0.170227 3.876044 3.828855 3.790816 -3.782003 -0.258907 3.834395 3.766185 0.203460 -3.843754 3.852006 -0.212779 -3.809117 -3.748677 0.254873 -3.887597 0.221592 -3.813109 -3.839478 -0.200014 3.735152 3.904546 0.191572 3.799251 3.850380 -0.238063 -3.726116 0.001657 -0.012311 -0.024406 -4.389943 3.706343 -1.011611 1 3 -3 0.126129 -2.582645 2.596559 Rho 0.3882646E+07 3,-3 2 3 -3 -0.120904 -2.581491 -2.601625 Rho 0.3882646E+07 3,-3 3 3 -3 0.141528 2.562921 -2.625628 Rho 0.3882646E+07 3,-3 4 3 -3 -0.066440 2.587091 2.611831 Rho 0.3882646E+07 3,-3 5 3 -3 -2.567776 -0.127130 -2.651460 Rho 0.3882647E+07 3,-3 6 3 -3 2.589152 -0.110841 2.618616 Rho 0.3882647E+07 3,-3 7 3 -3 2.566866 -2.586672 0.120952 Rho 0.4361415E+07 3,-3 8 3 -3 2.577736 2.579269 -0.089362 Rho 0.4361415E+07 3,-3 9 3 -3 -2.497822 2.526610 0.101928 Rho 0.4361413E+07 3,-3 10 3 -3 -2.572254 -2.566442 -0.127237 Rho 0.4361415E+07 3,-3 11 3 -3 -2.559412 0.097436 2.579945 Rho 0.4361415E+07 3,-3 12 3 -3 2.581857 0.093264 -2.565257 Rho 0.4361414E+07 3,-3 13 3 -3 0.959620 -0.966074 1.001814 Rho 0.3190238E+03 3,-3 14 3 -3 -0.990632 -0.977628 -1.010386 Rho 0.3190139E+03 3,-3 15 3 -3 0.986521 0.977006 -0.998305 Rho 0.3190295E+03 3,-3 16 3 -3 -0.991905 1.011289 0.938358 Rho 0.3190060E+03 3,-3 17 3 -3 -3.018784 -1.115074 1.148921 Rho 0.3188577E+03 3,-3 18 3 -3 3.024551 -1.147558 -1.151417 Rho 0.3188560E+03 3,-3 19 3 -3 -3.028493 1.219250 -1.116711 Rho 0.3189555E+03 3,-3 20 3 -3 3.037950 1.197512 1.131414 Rho 0.3188584E+03 3,-3 21 3 -3 1.224069 -1.147309 -3.068757 Rho 0.3188497E+03 3,-3 22 3 -3 1.217919 1.228755 3.131249 Rho 0.3188194E+03 3,-3 23 3 -3 -1.196970 1.211066 -3.103890 Rho 0.3188147E+03 3,-3 24 3 -3 -1.233404 -1.147643 3.083801 Rho 0.3188604E+03 3,-3 25 3 -3 -1.177790 3.051531 -1.119048 Rho 0.3189115E+03 3,-3 26 3 -3 -1.208407 -2.993791 1.138151 Rho 0.3188561E+03 3,-3 27 3 -3 1.209561 3.096090 1.148657 Rho 0.3188375E+03 3,-3 28 3 -3 1.190516 -3.006821 -1.137323 Rho 0.3188537E+03 3,-3 29 3 -3 3.457063 -1.560485 1.470646 Rho 0.3189095E+03 3,-3 30 3 -3 -3.467576 -1.531698 -1.477228 Rho 0.3189088E+03 3,-3 31 3 -3 3.440596 1.506679 -1.515382 Rho 0.3189192E+03 3,-3 32 3 -3 -3.418247 1.529449 1.495424 Rho 0.3189437E+03 3,-3 33 3 -3 1.545390 -1.551604 3.503848 Rho 0.3188624E+03 3,-3 34 3 -3 1.610931 1.497589 -3.480712 Rho 0.3188974E+03 3,-3 35 3 -3 -1.580292 1.509906 3.437504 Rho 0.3189004E+03 3,-3 36 3 -3 -1.557732 -1.565063 -3.532548 Rho 0.3188636E+03 3,-3 37 3 -3 -1.580622 -3.471055 -1.495236 Rho 0.3189006E+03 3,-3 38 3 -3 -1.583943 3.447824 1.477427 Rho 0.3189697E+03 3,-3 39 3 -3 1.562431 -3.482624 1.488540 Rho 0.3188970E+03 3,-3 40 3 -3 1.585397 3.441063 -1.501560 Rho 0.3189096E+03 3,-3 41 3 -3 -0.234031 -3.862669 3.796616 Rho 0.3191200E+03 3,-3 42 3 -3 0.239972 -3.866224 -3.795627 Rho 0.3191211E+03 3,-3 43 3 -3 -0.154353 3.858270 -3.825865 Rho 0.3191256E+03 3,-3 44 3 -3 0.170227 3.876044 3.828855 Rho 0.3191290E+03 3,-3 45 3 -3 3.790816 -3.782003 -0.258907 Rho 0.3192401E+03 3,-3 46 3 -3 3.834395 3.766185 0.203460 Rho 0.3192370E+03 3,-3 47 3 -3 -3.843754 3.852006 -0.212779 Rho 0.3187001E+03 3,-3 48 3 -3 -3.809117 -3.748677 0.254873 Rho 0.3192382E+03 3,-3 49 3 -3 -3.887597 0.221592 -3.813109 Rho 0.3191181E+03 3,-3 50 3 -3 -3.839478 -0.200014 3.735152 Rho 0.3192562E+03 3,-3 51 3 -3 3.904546 0.191572 3.799251 Rho 0.3191090E+03 3,-3 52 3 -3 3.850380 -0.238063 -3.726116 Rho 0.3192494E+03 3,-3 53 3 -3 0.001657 -0.012311 -0.024406 Rho 0.4276085E+05 3,-3 54 3 -3 -4.389943 3.706343 -1.011611 Rho 0.4606859E+00 3,-3 55 3 +3 -1.103530 1.110480 -1.182857 Rho 0.4925085E-02 |GRAD(Rho)| 0.1618680E-12 GRAD(Rho)x -0.1417238E-12 GRAD(Rho)y -0.3105275E-13 GRAD(Rho)z 0.7177296E-13 Laplacian 0.1863640E-01 (-1/4)Del**2(Rho)) -0.4659101E-02 Diamond 0.1262423E-03 Metallicity 0.5271577E+00 Ellipticity -0.2172276E+00 Gb(Abramov) 0.3515414E-02 Vb(Abramov) -0.2371727E-02 Hb(Abramov) 0.1143687E-02 Ex_ueg -0.6188755E-03 Ec_ueg -0.1436903E-03 Delta_ex -0.6400097E-03 Delta_ec 0.7999993E-04 Delta_et -0.6377549E-03 Pxc 0.4307010E+01 Qxc -0.8000129E+01 3,+3 56 3 -1 -3.219116 3.214794 -0.085513 Rho 0.1540813E+00 |GRAD(Rho)| 0.2322963E-14 GRAD(Rho)x 0.1683387E-14 GRAD(Rho)y -0.1536287E-14 GRAD(Rho)z 0.4496525E-15 Laplacian 0.5820816E+00 (-1/4)Del**2(Rho)) -0.1455204E+00 Diamond 0.1247976E+01 Metallicity 0.5242589E+01 Ellipticity 0.1121882E+00 Gb(Abramov) 0.2241642E+00 Vb(Abramov) -0.3028080E+00 Hb(Abramov) -0.7864381E-01 Ex_ueg -0.6100774E-01 Ec_ueg -0.8705285E-02 Delta_ex -0.6321047E-01 Delta_ec 0.1518046E-01 Delta_et -0.2040489E+00 Pxc 0.7008126E+01 Qxc -0.4163937E+01 3,-1 57 3 -1 -1.743288 0.546643 1.725312 Rho 0.4159161E-01 |GRAD(Rho)| 0.1563412E-14 GRAD(Rho)x -0.1363808E-14 GRAD(Rho)y 0.7489011E-15 GRAD(Rho)z -0.1530769E-15 Laplacian 0.1652844E+00 (-1/4)Del**2(Rho)) -0.4132110E-01 Diamond 0.6414602E-01 Metallicity 0.2081570E+01 Ellipticity 0.2356052E-01 Gb(Abramov) 0.4188286E-01 Vb(Abramov) -0.4244461E-01 Hb(Abramov) -0.5617571E-03 Ex_ueg -0.1064289E-01 Ec_ueg -0.1955653E-02 Delta_ex -0.1293282E-01 Delta_ec 0.4824427E-02 Delta_et -0.4843708E-01 Pxc 0.5442114E+01 Qxc -0.2680694E+01 3,-1 58 3 +1 -0.584455 -0.523007 1.693711 Rho 0.7650385E-02 |GRAD(Rho)| 0.1215985E-16 GRAD(Rho)x 0.6093949E-17 GRAD(Rho)y 0.9931872E-17 GRAD(Rho)z -0.3476167E-17 Laplacian 0.2892232E-01 (-1/4)Del**2(Rho)) -0.7230579E-02 Diamond 0.6592878E-03 Metallicity 0.7077050E+00 Ellipticity -0.1431072E+01 Gb(Abramov) 0.5673239E-02 Vb(Abramov) -0.4115899E-02 Hb(Abramov) 0.1557340E-02 Ex_ueg -0.1113344E-02 Ec_ueg -0.2626941E-03 Delta_ex -0.1282552E-02 Delta_ec 0.4063160E-03 Delta_et -0.2695096E-02 Pxc 0.4238177E+01 Qxc -0.3156538E+01 3,+1 59 3 +1 0.541529 -1.657649 -0.552794 Rho 0.8700893E-02 |GRAD(Rho)| 0.9261528E-13 GRAD(Rho)x -0.6505422E-13 GRAD(Rho)y 0.6402966E-13 GRAD(Rho)z 0.1567613E-13 Laplacian 0.3286334E-01 (-1/4)Del**2(Rho)) -0.8215835E-02 Diamond 0.9140219E-03 Metallicity 0.7718055E+00 Ellipticity -0.1517964E+01 Gb(Abramov) 0.6534061E-02 Vb(Abramov) -0.4852287E-02 Hb(Abramov) 0.1681774E-02 Ex_ueg -0.1321712E-02 Ec_ueg -0.3094966E-03 Delta_ex -0.1514846E-02 Delta_ec 0.4786494E-03 Delta_et -0.3268249E-02 Pxc 0.4270522E+01 Qxc -0.3164833E+01 3,+1 60 3 +1 -2.982999 -0.171892 -0.219028 Rho 0.5370909E-02 |GRAD(Rho)| 0.4320411E-17 GRAD(Rho)x 0.3880132E-18 GRAD(Rho)y -0.2516505E-18 GRAD(Rho)z 0.4295587E-17 Laplacian 0.2198969E-01 (-1/4)Del**2(Rho)) -0.5497423E-02 Diamond 0.4831603E-03 Metallicity 0.5161870E+00 Ellipticity -0.1879305E+01 Gb(Abramov) 0.4137898E-02 Vb(Abramov) -0.2778374E-02 Hb(Abramov) 0.1359525E-02 Ex_ueg -0.6946758E-03 Ec_ueg -0.1629093E-03 Delta_ex -0.1039852E-02 Delta_ec 0.5697187E-03 Delta_et -0.3210403E-02 Pxc 0.4264187E+01 Qxc -0.1825203E+01 3,+1 61 3 +1 -1.672814 -0.522051 0.508908 Rho 0.8662591E-02 |GRAD(Rho)| 0.8125573E-16 GRAD(Rho)x 0.5405016E-16 GRAD(Rho)y 0.3750327E-16 GRAD(Rho)z -0.4769254E-16 Laplacian 0.3346677E-01 (-1/4)Del**2(Rho)) -0.8366692E-02 Diamond 0.9129702E-03 Metallicity 0.7523370E+00 Ellipticity -0.1470330E+01 Gb(Abramov) 0.6626890E-02 Vb(Abramov) -0.4887088E-02 Hb(Abramov) 0.1739802E-02 Ex_ueg -0.1313960E-02 Ec_ueg -0.3077815E-03 Delta_ex -0.1535478E-02 Delta_ec 0.4776728E-03 Delta_et -0.3265500E-02 Pxc 0.4269133E+01 Qxc -0.3214498E+01 3,+1 62 3 -1 -3.277030 0.059415 -3.275757 Rho 0.2112602E+00 |GRAD(Rho)| 0.1442496E-14 GRAD(Rho)x -0.2498002E-15 GRAD(Rho)y -0.8790711E-15 GRAD(Rho)z 0.1116078E-14 Laplacian 0.7942545E+00 (-1/4)Del**2(Rho)) -0.1985636E+00 Diamond 0.2407017E+01 Metallicity 0.6501542E+01 Ellipticity 0.2935655E-02 Gb(Abramov) 0.3475374E+00 Vb(Abramov) -0.4965111E+00 Hb(Abramov) -0.1489737E+00 Ex_ueg -0.9292702E-01 Ec_ueg -0.1247508E-01 Delta_ex -0.9282524E-01 Delta_ec 0.1817487E-01 Delta_et -0.2500333E+00 Pxc 0.7449010E+01 Qxc -0.5107340E+01 3,-1 63 3 -1 -3.251026 -0.062470 3.203971 Rho 0.2361141E+00 |GRAD(Rho)| 0.1282195E-14 GRAD(Rho)x 0.7577489E-15 GRAD(Rho)y 0.2329137E-15 GRAD(Rho)z -0.1007766E-14 Laplacian 0.8598932E+00 (-1/4)Del**2(Rho)) -0.2149733E+00 Diamond 0.2985115E+01 Metallicity 0.7228340E+01 Ellipticity 0.2140274E-02 Gb(Abramov) 0.4022989E+00 Vb(Abramov) -0.5896245E+00 Hb(Abramov) -0.1873256E+00 Ex_ueg -0.1077824E+00 Ec_ueg -0.1417091E-01 Delta_ex -0.1034678E+00 Delta_ec 0.1911752E-01 Delta_et -0.2647840E+00 Pxc 0.7605890E+01 Qxc -0.5412196E+01 3,-1 64 3 -1 -2.787141 -0.549234 1.814690 Rho 0.1437646E+00 |GRAD(Rho)| 0.2383808E-14 GRAD(Rho)x 0.3714477E-15 GRAD(Rho)y 0.1388687E-14 GRAD(Rho)z 0.1901609E-14 Laplacian 0.6001869E+00 (-1/4)Del**2(Rho)) -0.1500467E+00 Diamond 0.1146084E+01 Metallicity 0.4529808E+01 Ellipticity 0.1179743E-01 Gb(Abramov) 0.2133116E+00 Vb(Abramov) -0.2765765E+00 Hb(Abramov) -0.6326490E-01 Ex_ueg -0.5562298E-01 Ec_ueg -0.8045559E-02 Delta_ex -0.6368460E-01 Delta_ec 0.1520562E-01 Delta_et -0.2007972E+00 Pxc 0.6913500E+01 Qxc -0.4188229E+01 3,-1 65 3 +1 -0.553569 -1.654938 0.535692 Rho 0.8680725E-02 |GRAD(Rho)| 0.1376007E-13 GRAD(Rho)x -0.1330456E-13 GRAD(Rho)y -0.3498939E-14 GRAD(Rho)z 0.2925613E-15 Laplacian 0.3317700E-01 (-1/4)Del**2(Rho)) -0.8294249E-02 Diamond 0.9147852E-03 Metallicity 0.7615577E+00 Ellipticity -0.1494817E+01 Gb(Abramov) 0.6582257E-02 Vb(Abramov) -0.4870266E-02 Hb(Abramov) 0.1711991E-02 Ex_ueg -0.1317629E-02 Ec_ueg -0.3085934E-03 Delta_ex -0.1526164E-02 Delta_ec 0.4792073E-03 Delta_et -0.3273230E-02 Pxc 0.4269789E+01 Qxc -0.3184768E+01 3,+1 66 3 -1 -3.240148 -3.204766 0.078303 Rho 0.2339824E+00 |GRAD(Rho)| 0.1241327E-14 GRAD(Rho)x -0.8688796E-15 GRAD(Rho)y -0.8376004E-15 GRAD(Rho)z 0.2904578E-15 Laplacian 0.8567942E+00 (-1/4)Del**2(Rho)) -0.2141986E+00 Diamond 0.2936995E+01 Metallicity 0.7145651E+01 Ellipticity 0.4215910E-02 Gb(Abramov) 0.3978971E+00 Vb(Abramov) -0.5815956E+00 Hb(Abramov) -0.1836985E+00 Ex_ueg -0.1064868E+00 Ec_ueg -0.1402412E-01 Delta_ex -0.1028236E+00 Delta_ec 0.1904947E-01 Delta_et -0.2635322E+00 Pxc 0.7593118E+01 Qxc -0.5397716E+01 3,-1 67 3 +1 -1.684952 0.515242 -0.597068 Rho 0.8481323E-02 |GRAD(Rho)| 0.4172837E-17 GRAD(Rho)x -0.1047171E-17 GRAD(Rho)y 0.3702090E-17 GRAD(Rho)z -0.1615715E-17 Laplacian 0.3340825E-01 (-1/4)Del**2(Rho)) -0.8352062E-02 Diamond 0.8950555E-03 Metallicity 0.7275544E+00 Ellipticity -0.1450841E+01 Gb(Abramov) 0.6580804E-02 Vb(Abramov) -0.4809547E-02 Hb(Abramov) 0.1771257E-02 Ex_ueg -0.1277428E-02 Ec_ueg -0.2996733E-03 Delta_ex -0.1529024E-02 Delta_ec 0.4846782E-03 Delta_et -0.3289047E-02 Pxc 0.4262736E+01 Qxc -0.3154719E+01 3,+1 68 3 -1 -2.802320 0.582269 -1.842615 Rho 0.9418989E-01 |GRAD(Rho)| 0.1244303E-13 GRAD(Rho)x 0.2984465E-14 GRAD(Rho)y -0.7035761E-14 GRAD(Rho)z 0.9819368E-14 Laplacian 0.4055993E+00 (-1/4)Del**2(Rho)) -0.1013998E+00 Diamond 0.4919860E+00 Metallicity 0.3312758E+01 Ellipticity 0.1249727E-02 Gb(Abramov) 0.1235854E+00 Vb(Abramov) -0.1457710E+00 Hb(Abramov) -0.2218558E-01 Ex_ueg -0.3165124E-01 Ec_ueg -0.4974461E-02 Delta_ex -0.3940224E-01 Delta_ec 0.1220965E-01 Delta_et -0.1506714E+00 Pxc 0.6362748E+01 Qxc -0.3227138E+01 3,-1 69 3 -1 -3.000470 0.855890 1.997010 Rho 0.1266974E+00 |GRAD(Rho)| 0.3800186E-13 GRAD(Rho)x 0.1427163E-13 GRAD(Rho)y -0.2273011E-13 GRAD(Rho)z 0.2690360E-13 Laplacian 0.5006897E+00 (-1/4)Del**2(Rho)) -0.1251724E+00 Diamond 0.8276819E+00 Metallicity 0.4398696E+01 Ellipticity 0.4228705E-01 Gb(Abramov) 0.1752142E+00 Vb(Abramov) -0.2252559E+00 Hb(Abramov) -0.5004176E-01 Ex_ueg -0.4699755E-01 Ec_ueg -0.6968955E-02 Delta_ex -0.5159908E-01 Delta_ec 0.1321949E-01 Delta_et -0.1714629E+00 Pxc 0.6743845E+01 Qxc -0.3903257E+01 3,-1 70 3 +1 0.544852 1.714675 0.532846 Rho 0.7735024E-02 |GRAD(Rho)| 0.5502450E-17 GRAD(Rho)x 0.9815168E-18 GRAD(Rho)y -0.5310966E-17 GRAD(Rho)z -0.1052245E-17 Laplacian 0.2925978E-01 (-1/4)Del**2(Rho)) -0.7314944E-02 Diamond 0.6749536E-03 Metallicity 0.7124892E+00 Ellipticity -0.1432106E+01 Gb(Abramov) 0.5745266E-02 Vb(Abramov) -0.4175588E-02 Hb(Abramov) 0.1569678E-02 Ex_ueg -0.1129798E-02 Ec_ueg -0.2664465E-03 Delta_ex -0.1300016E-02 Delta_ec 0.4091223E-03 Delta_et -0.2723073E-02 Pxc 0.4240242E+01 Qxc -0.3177572E+01 3,+1 71 3 -1 -2.968684 1.983782 0.844467 Rho 0.1433321E+00 |GRAD(Rho)| 0.4004698E-15 GRAD(Rho)x -0.1724424E-15 GRAD(Rho)y -0.1992764E-15 GRAD(Rho)z 0.3015437E-15 Laplacian 0.5603440E+00 (-1/4)Del**2(Rho)) -0.1400860E+00 Diamond 0.1069553E+01 Metallicity 0.4827593E+01 Ellipticity 0.3059449E-01 Gb(Abramov) 0.2061037E+00 Vb(Abramov) -0.2721214E+00 Hb(Abramov) -0.6601771E-01 Ex_ueg -0.5539997E-01 Ec_ueg -0.8018046E-02 Delta_ex -0.5944925E-01 Delta_ec 0.1427131E-01 Delta_et -0.1885187E+00 Pxc 0.6909411E+01 Qxc -0.4165647E+01 3,-1 72 3 +1 -1.988024 2.015652 2.011031 Rho 0.1215870E-01 |GRAD(Rho)| 0.1170116E-16 GRAD(Rho)x 0.4407726E-17 GRAD(Rho)y -0.9377927E-17 GRAD(Rho)z 0.5435403E-17 Laplacian 0.5613421E-01 (-1/4)Del**2(Rho)) -0.1403355E-01 Diamond 0.1684332E-02 Metallicity 0.7892185E+00 Ellipticity -0.1054715E+01 Gb(Abramov) 0.1120162E-01 Vb(Abramov) -0.8369697E-02 Hb(Abramov) 0.2831928E-02 Ex_ueg -0.2064910E-02 Ec_ueg -0.4668999E-03 Delta_ex -0.2596784E-02 Delta_ec 0.4214536E-03 Delta_et -0.3404751E-02 Pxc 0.4422596E+01 Qxc -0.6161495E+01 3,+1 73 3 +3 -2.328253 -0.014489 -0.062767 Rho 0.4586361E-02 |GRAD(Rho)| 0.4270094E-17 GRAD(Rho)x -0.5579077E-18 GRAD(Rho)y 0.1695226E-17 GRAD(Rho)z 0.3879259E-17 Laplacian 0.1902592E-01 (-1/4)Del**2(Rho)) -0.4756481E-02 Diamond 0.1652865E-03 Metallicity 0.4585442E+00 Ellipticity -0.4273407E+00 Gb(Abramov) 0.3534497E-02 Vb(Abramov) -0.2312513E-02 Hb(Abramov) 0.1221984E-02 Ex_ueg -0.5627853E-03 Ec_ueg -0.1291559E-03 Delta_ex -0.6910164E-03 Delta_ec 0.1716712E-03 Delta_et -0.1082731E-02 Pxc 0.4357411E+01 Qxc -0.4025232E+01 3,+3 74 3 -1 -3.030641 -0.867871 -2.022462 Rho 0.1105713E+00 |GRAD(Rho)| 0.3809619E-15 GRAD(Rho)x 0.2846098E-15 GRAD(Rho)y 0.1200889E-15 GRAD(Rho)z -0.2229526E-15 Laplacian 0.4543431E+00 (-1/4)Del**2(Rho)) -0.1135858E+00 Diamond 0.6568397E+00 Metallicity 0.3863372E+01 Ellipticity 0.8168975E-02 Gb(Abramov) 0.1488612E+00 Vb(Abramov) -0.1841367E+00 Hb(Abramov) -0.3527544E-01 Ex_ueg -0.3919599E-01 Ec_ueg -0.5969757E-02 Delta_ex -0.4561668E-01 Delta_ec 0.1289498E-01 Delta_et -0.1640382E+00 Pxc 0.6565760E+01 Qxc -0.3537554E+01 3,-1 75 3 +1 -0.497054 1.691545 -0.589786 Rho 0.8520459E-02 |GRAD(Rho)| 0.4627035E-14 GRAD(Rho)x 0.2057388E-15 GRAD(Rho)y -0.8398005E-15 GRAD(Rho)z 0.4545532E-14 Laplacian 0.3338715E-01 (-1/4)Del**2(Rho)) -0.8346786E-02 Diamond 0.8803517E-03 Metallicity 0.7336217E+00 Ellipticity -0.1433837E+01 Gb(Abramov) 0.6585088E-02 Vb(Abramov) -0.4823390E-02 Hb(Abramov) 0.1761698E-02 Ex_ueg -0.1285294E-02 Ec_ueg -0.3014226E-03 Delta_ex -0.1520811E-02 Delta_ec 0.4682734E-03 Delta_et -0.3194241E-02 Pxc 0.4264091E+01 Qxc -0.3247700E+01 3,+1 76 3 +1 -2.170030 1.048686 1.403589 Rho 0.2852149E-01 |GRAD(Rho)| 0.1446030E-16 GRAD(Rho)x -0.9928245E-17 GRAD(Rho)y 0.3917570E-17 GRAD(Rho)z 0.9756172E-17 Laplacian 0.1113575E+00 (-1/4)Del**2(Rho)) -0.2783936E-01 Diamond 0.1557526E-01 Metallicity 0.1647584E+01 Ellipticity -0.2721217E+01 Gb(Abramov) 0.2620419E-01 Vb(Abramov) -0.2456902E-01 Hb(Abramov) 0.1635172E-02 Ex_ueg -0.6435980E-02 Ec_ueg -0.1267599E-02 Delta_ex -0.7003032E-02 Delta_ec 0.1582593E-02 Delta_et -0.1446281E-01 Pxc 0.5077299E+01 Qxc -0.4425036E+01 3,+1 77 3 +1 -1.763251 1.785905 -1.789339 Rho 0.1152708E-01 |GRAD(Rho)| 0.6331154E-17 GRAD(Rho)x 0.8239738E-18 GRAD(Rho)y 0.5999950E-17 GRAD(Rho)z -0.1845313E-17 Laplacian 0.5455263E-01 (-1/4)Del**2(Rho)) -0.1363816E-01 Diamond 0.1999985E-02 Metallicity 0.7430133E+00 Ellipticity -0.1267378E+01 Gb(Abramov) 0.1078099E-01 Vb(Abramov) -0.7923830E-02 Hb(Abramov) 0.2857164E-02 Ex_ueg -0.1923141E-02 Ec_ueg -0.4377818E-03 Delta_ex -0.2632308E-02 Delta_ec 0.6706884E-03 Delta_et -0.5009083E-02 Pxc 0.4392920E+01 Qxc -0.3924785E+01 3,+1 78 3 -1 -2.765600 1.820065 -0.549599 Rho 0.1711605E+00 |GRAD(Rho)| 0.8329755E-16 GRAD(Rho)x -0.1710329E-16 GRAD(Rho)y -0.1629014E-16 GRAD(Rho)z -0.7987860E-16 Laplacian 0.7287874E+00 (-1/4)Del**2(Rho)) -0.1821968E+00 Diamond 0.1694200E+01 Metallicity 0.4989053E+01 Ellipticity 0.3052713E-01 Gb(Abramov) 0.2729628E+00 Vb(Abramov) -0.3637288E+00 Hb(Abramov) -0.9076599E-01 Ex_ueg -0.7018694E-01 Ec_ueg -0.9811579E-02 Delta_ex -0.8056471E-01 Delta_ec 0.1734089E-01 Delta_et -0.2332444E+00 Pxc 0.7153481E+01 Qxc -0.4645940E+01 3,-1 79 3 -1 -2.793125 -1.793769 0.549745 Rho 0.1258969E+00 |GRAD(Rho)| 0.7322607E-16 GRAD(Rho)x -0.4865357E-16 GRAD(Rho)y 0.5330209E-16 GRAD(Rho)z -0.1240056E-16 Laplacian 0.5204001E+00 (-1/4)Del**2(Rho)) -0.1301000E+00 Diamond 0.8544671E+00 Metallicity 0.4187621E+01 Ellipticity 0.1248233E-01 Gb(Abramov) 0.1775349E+00 Vb(Abramov) -0.2249699E+00 Hb(Abramov) -0.4743492E-01 Ex_ueg -0.4660204E-01 Ec_ueg -0.6918929E-02 Delta_ex -0.5355796E-01 Delta_ec 0.1377697E-01 Delta_et -0.1785344E+00 Pxc 0.6735442E+01 Qxc -0.3887499E+01 3,-1 80 3 +1 -1.776823 -1.741670 1.783263 Rho 0.1197097E-01 |GRAD(Rho)| 0.3031815E-15 GRAD(Rho)x 0.9164562E-17 GRAD(Rho)y -0.2132646E-15 GRAD(Rho)z -0.2152980E-15 Laplacian 0.5853320E-01 (-1/4)Del**2(Rho)) -0.1463330E-01 Diamond 0.2281988E-02 Metallicity 0.7374959E+00 Ellipticity -0.1256035E+01 Gb(Abramov) 0.1155420E-01 Vb(Abramov) -0.8475100E-02 Hb(Abramov) 0.3079100E-02 Ex_ueg -0.2022510E-02 Ec_ueg -0.4582289E-03 Delta_ex -0.2859188E-02 Delta_ec 0.7309457E-03 Delta_et -0.5499800E-02 Pxc 0.4413755E+01 Qxc -0.3911629E+01 3,+1 81 3 +1 1.677622 0.535075 0.545658 Rho 0.8263350E-02 |GRAD(Rho)| 0.1387808E-16 GRAD(Rho)x 0.1231582E-16 GRAD(Rho)y 0.2601251E-18 GRAD(Rho)z 0.6391707E-17 Laplacian 0.3162936E-01 (-1/4)Del**2(Rho)) -0.7907340E-02 Diamond 0.8147932E-03 Metallicity 0.7358394E+00 Ellipticity -0.1469884E+01 Gb(Abramov) 0.6241315E-02 Vb(Abramov) -0.4575291E-02 Hb(Abramov) 0.1666024E-02 Ex_ueg -0.1233843E-02 Ec_ueg -0.2899427E-03 Delta_ex -0.1436706E-02 Delta_ec 0.4562532E-03 Delta_et -0.3077385E-02 Pxc 0.4255472E+01 Qxc -0.3148922E+01 3,+1 82 3 +3 -1.104525 -1.084487 1.156991 Rho 0.4970453E-02 |GRAD(Rho)| 0.3099080E-17 GRAD(Rho)x -0.1224376E-18 GRAD(Rho)y 0.2897787E-17 GRAD(Rho)z -0.1091852E-17 Laplacian 0.1895933E-01 (-1/4)Del**2(Rho)) -0.4739832E-02 Diamond 0.1317401E-03 Metallicity 0.5261588E+00 Ellipticity -0.1672514E+00 Gb(Abramov) 0.3575539E-02 Vb(Abramov) -0.2411246E-02 Hb(Abramov) 0.1164293E-02 Ex_ueg -0.6264884E-03 Ec_ueg -0.1456415E-03 Delta_ex -0.6543399E-03 Delta_ec 0.8420493E-04 Delta_et -0.6639544E-03 Pxc 0.4301579E+01 Qxc -0.7770802E+01 3,+3 83 3 -1 -2.023946 -0.890371 -3.107720 Rho 0.1339725E+00 |GRAD(Rho)| 0.3885031E-15 GRAD(Rho)x 0.2977626E-15 GRAD(Rho)y -0.2067574E-15 GRAD(Rho)z -0.1397266E-15 Laplacian 0.5372193E+00 (-1/4)Del**2(Rho)) -0.1343048E+00 Diamond 0.9721685E+00 Metallicity 0.4499396E+01 Ellipticity 0.8491453E-02 Gb(Abramov) 0.1902516E+00 Vb(Abramov) -0.2461984E+00 Hb(Abramov) -0.5594682E-01 Ex_ueg -0.5062975E-01 Ec_ueg -0.7425557E-02 Delta_ex -0.5637467E-01 Delta_ec 0.1446063E-01 Delta_et -0.1901701E+00 Pxc 0.6818311E+01 Qxc -0.3898493E+01 3,-1 84 3 +1 -0.114752 -0.110167 -2.992342 Rho 0.4795085E-02 |GRAD(Rho)| 0.6636279E-17 GRAD(Rho)x -0.4156612E-17 GRAD(Rho)y 0.4404592E-17 GRAD(Rho)z 0.2713367E-17 Laplacian 0.1823094E-01 (-1/4)Del**2(Rho)) -0.4557736E-02 Diamond 0.3904434E-03 Metallicity 0.5153844E+00 Ellipticity -0.3771061E+01 Gb(Abramov) 0.3429988E-02 Vb(Abramov) -0.2302241E-02 Hb(Abramov) 0.1127748E-02 Ex_ueg -0.5971914E-03 Ec_ueg -0.1381052E-03 Delta_ex -0.8879161E-03 Delta_ec 0.5540049E-03 Delta_et -0.2979273E-02 Pxc 0.4324178E+01 Qxc -0.1602722E+01 3,+1 85 3 +1 -2.196826 -1.034277 -1.450403 Rho 0.2626575E-01 |GRAD(Rho)| 0.1965483E-16 GRAD(Rho)x -0.9195213E-17 GRAD(Rho)y 0.6828816E-17 GRAD(Rho)z -0.1597272E-16 Laplacian 0.1011952E+00 (-1/4)Del**2(Rho)) -0.2529879E-01 Diamond 0.1273890E-01 Metallicity 0.1580410E+01 Ellipticity -0.2644096E+01 Gb(Abramov) 0.2352961E-01 Vb(Abramov) -0.2176042E-01 Hb(Abramov) 0.1769187E-02 Ex_ueg -0.5766401E-02 Ec_ueg -0.1152652E-02 Delta_ex -0.6232330E-02 Delta_ec 0.1458013E-02 Delta_et -0.1307677E-01 Pxc 0.5002727E+01 Qxc -0.4274537E+01 3,+1 86 3 +1 -1.082790 -2.198995 -1.421600 Rho 0.2577151E-01 |GRAD(Rho)| 0.2517196E-16 GRAD(Rho)x -0.9297149E-17 GRAD(Rho)y -0.2261361E-16 GRAD(Rho)z -0.5984599E-17 Laplacian 0.9867446E-01 (-1/4)Del**2(Rho)) -0.2466861E-01 Diamond 0.1236487E-01 Metallicity 0.1570272E+01 Ellipticity -0.2826461E+01 Gb(Abramov) 0.2290181E-01 Vb(Abramov) -0.2113501E-01 Hb(Abramov) 0.1766800E-02 Ex_ueg -0.5622181E-02 Ec_ueg -0.1127636E-02 Delta_ex -0.6073185E-02 Delta_ec 0.1471065E-02 Delta_et -0.1312475E-01 Pxc 0.4985810E+01 Qxc -0.4128428E+01 3,+1 87 3 -1 -1.841052 -2.780150 0.547119 Rho 0.1528740E+00 |GRAD(Rho)| 0.1487445E-14 GRAD(Rho)x -0.1209238E-14 GRAD(Rho)y 0.1011696E-15 GRAD(Rho)z -0.8602331E-15 Laplacian 0.6333721E+00 (-1/4)Del**2(Rho)) -0.1583430E+00 Diamond 0.1304435E+01 Metallicity 0.4755288E+01 Ellipticity 0.1241319E-01 Gb(Abramov) 0.2310564E+00 Vb(Abramov) -0.3037699E+00 Hb(Abramov) -0.7271342E-01 Ex_ueg -0.6037119E-01 Ec_ueg -0.8627742E-02 Delta_ex -0.6825229E-01 Delta_ec 0.1584369E-01 Delta_et -0.2111046E+00 Pxc 0.6997334E+01 Qxc -0.4307853E+01 3,-1 88 3 -1 -1.746299 -1.736255 -0.558992 Rho 0.4490960E-01 |GRAD(Rho)| 0.1593777E-16 GRAD(Rho)x 0.4634541E-17 GRAD(Rho)y -0.9347432E-17 GRAD(Rho)z 0.1204820E-16 Laplacian 0.1823313E+00 (-1/4)Del**2(Rho)) -0.4558283E-01 Diamond 0.7900479E-01 Metallicity 0.2144456E+01 Ellipticity 0.2035393E-01 Gb(Abramov) 0.4668028E-01 Vb(Abramov) -0.4777774E-01 Hb(Abramov) -0.1097455E-02 Ex_ueg -0.1178973E-01 Ec_ueg -0.2135490E-02 Delta_ex -0.1456608E-01 Delta_ec 0.5359711E-02 Delta_et -0.5492655E-01 Pxc 0.5520857E+01 Qxc -0.2717699E+01 3,-1 89 3 -1 -0.541785 -1.738576 -1.767406 Rho 0.4293293E-01 |GRAD(Rho)| 0.5794362E-16 GRAD(Rho)x 0.2036987E-16 GRAD(Rho)y 0.4865315E-16 GRAD(Rho)z 0.2398755E-16 Laplacian 0.1845376E+00 (-1/4)Del**2(Rho)) -0.4613439E-01 Diamond 0.8165905E-01 Metallicity 0.1965679E+01 Ellipticity 0.1699238E-01 Gb(Abramov) 0.4587050E-01 Vb(Abramov) -0.4560660E-01 Hb(Abramov) 0.2638955E-03 Ex_ueg -0.1110297E-01 Ec_ueg -0.2028127E-02 Delta_ex -0.1491768E-01 Delta_ec 0.6034066E-02 Delta_et -0.6120472E-01 Pxc 0.5474493E+01 Qxc -0.2472243E+01 3,-1 90 3 -1 -1.786269 2.791102 -0.551087 Rho 0.1677182E+00 |GRAD(Rho)| 0.1346719E-15 GRAD(Rho)x 0.1067939E-15 GRAD(Rho)y -0.7082551E-16 GRAD(Rho)z -0.4141652E-16 Laplacian 0.6929665E+00 (-1/4)Del**2(Rho)) -0.1732416E+00 Diamond 0.1581724E+01 Metallicity 0.5072255E+01 Ellipticity 0.2779198E-01 Gb(Abramov) 0.2619487E+00 Vb(Abramov) -0.3506558E+00 Hb(Abramov) -0.8870709E-01 Ex_ueg -0.6831120E-01 Ec_ueg -0.9587218E-02 Delta_ex -0.7629753E-01 Delta_ec 0.1672403E-01 Delta_et -0.2248658E+00 Pxc 0.7125236E+01 Qxc -0.4562150E+01 3,-1 91 3 -1 -1.997662 3.001424 0.838214 Rho 0.1638793E+00 |GRAD(Rho)| 0.3506051E-12 GRAD(Rho)x -0.1794699E-12 GRAD(Rho)y -0.1443957E-12 GRAD(Rho)z -0.2643187E-12 Laplacian 0.6567044E+00 (-1/4)Del**2(Rho)) -0.1641761E+00 Diamond 0.1458073E+01 Metallicity 0.5149717E+01 Ellipticity 0.1142207E-01 Gb(Abramov) 0.2503608E+00 Vb(Abramov) -0.3365455E+00 Hb(Abramov) -0.8618471E-01 Ex_ueg -0.6623443E-01 Ec_ueg -0.9337829E-02 Delta_ex -0.7188947E-01 Delta_ec 0.1594775E-01 Delta_et -0.2138679E+00 Pxc 0.7093130E+01 Qxc -0.4507812E+01 3,-1 92 3 -1 -1.712683 1.737419 0.509385 Rho 0.5889826E-01 |GRAD(Rho)| 0.5035500E-16 GRAD(Rho)x -0.2405574E-16 GRAD(Rho)y -0.4019341E-16 GRAD(Rho)z -0.1847802E-16 Laplacian 0.2361826E+00 (-1/4)Del**2(Rho)) -0.5904564E-01 Diamond 0.1459094E+00 Metallicity 0.2601374E+01 Ellipticity 0.1826827E-01 Gb(Abramov) 0.6496372E-01 Vb(Abramov) -0.7088180E-01 Hb(Abramov) -0.5918082E-02 Ex_ueg -0.1692473E-01 Ec_ueg -0.2912338E-02 Delta_ex -0.2013681E-01 Delta_ec 0.6800989E-02 Delta_et -0.7470579E-01 Pxc 0.5811388E+01 Qxc -0.2960865E+01 3,-1 93 3 -1 -1.738720 -0.537368 -1.791817 Rho 0.4181571E-01 |GRAD(Rho)| 0.1263202E-15 GRAD(Rho)x -0.1170074E-15 GRAD(Rho)y 0.4351928E-16 GRAD(Rho)z -0.1929075E-16 Laplacian 0.1802615E+00 (-1/4)Del**2(Rho)) -0.4506537E-01 Diamond 0.7701622E-01 Metallicity 0.1925792E+01 Ellipticity 0.1615349E-01 Gb(Abramov) 0.4450800E-01 Vb(Abramov) -0.4395063E-01 Hb(Abramov) 0.5573713E-03 Ex_ueg -0.1071941E-01 Ec_ueg -0.1967739E-02 Delta_ex -0.1448162E-01 Delta_ec 0.5900542E-02 Delta_et -0.5942116E-01 Pxc 0.5447577E+01 Qxc -0.2454287E+01 3,-1 94 3 +1 -0.553589 0.557566 -1.723948 Rho 0.7924303E-02 |GRAD(Rho)| 0.6440458E-14 GRAD(Rho)x -0.3843700E-14 GRAD(Rho)y -0.5069554E-14 GRAD(Rho)z 0.1002543E-14 Laplacian 0.2933760E-01 (-1/4)Del**2(Rho)) -0.7334399E-02 Diamond 0.6906238E-03 Metallicity 0.7398161E+00 Ellipticity -0.1452610E+01 Gb(Abramov) 0.5793950E-02 Vb(Abramov) -0.4253502E-02 Hb(Abramov) 0.1540449E-02 Ex_ueg -0.1166809E-02 Ec_ueg -0.2748497E-03 Delta_ex -0.1307010E-02 Delta_ec 0.4023458E-03 Delta_et -0.2701327E-02 Pxc 0.4245262E+01 Qxc -0.3248473E+01 3,+1 95 3 -1 -1.847234 -0.567710 2.834953 Rho 0.1612959E+00 |GRAD(Rho)| 0.1242243E-13 GRAD(Rho)x -0.1084365E-13 GRAD(Rho)y 0.9402201E-15 GRAD(Rho)z 0.5987324E-14 Laplacian 0.6648388E+00 (-1/4)Del**2(Rho)) -0.1662097E+00 Diamond 0.1458544E+01 Metallicity 0.4953770E+01 Ellipticity 0.1134669E-01 Gb(Abramov) 0.2480339E+00 Vb(Abramov) -0.3298581E+00 Hb(Abramov) -0.8182421E-01 Ex_ueg -0.6484597E-01 Ec_ueg -0.9170495E-02 Delta_ex -0.7258528E-01 Delta_ec 0.1637788E-01 Delta_et -0.2196574E+00 Pxc 0.7071153E+01 Qxc -0.4431909E+01 3,-1 96 3 +1 -1.252689 -1.246117 -2.241185 Rho 0.2510606E-01 |GRAD(Rho)| 0.4807819E-16 GRAD(Rho)x -0.1889261E-16 GRAD(Rho)y -0.4425066E-18 GRAD(Rho)z -0.4420844E-16 Laplacian 0.9406275E-01 (-1/4)Del**2(Rho)) -0.2351569E-01 Diamond 0.1348288E-01 Metallicity 0.1576981E+01 Ellipticity -0.2540724E+02 Gb(Abramov) 0.2185776E-01 Vb(Abramov) -0.2019983E-01 Hb(Abramov) 0.1657929E-02 Ex_ueg -0.5429459E-02 Ec_ueg -0.1094056E-02 Delta_ex -0.5976536E-02 Delta_ec 0.1809928E-02 Delta_et -0.1594419E-01 Pxc 0.4962689E+01 Qxc -0.3302085E+01 3,+1 97 3 -1 -1.837030 0.583266 -2.881743 Rho 0.1299996E+00 |GRAD(Rho)| 0.2665926E-13 GRAD(Rho)x -0.2035102E-14 GRAD(Rho)y 0.2555017E-13 GRAD(Rho)z 0.7332351E-14 Laplacian 0.5498098E+00 (-1/4)Del**2(Rho)) -0.1374524E+00 Diamond 0.9620094E+00 Metallicity 0.4181229E+01 Ellipticity 0.2097815E-01 Gb(Abramov) 0.1874217E+00 Vb(Abramov) -0.2373909E+00 Hb(Abramov) -0.4996922E-01 Ex_ueg -0.4863785E-01 Ec_ueg -0.7175775E-02 Delta_ex -0.5730964E-01 Delta_ec 0.1495692E-01 Delta_et -0.1958061E+00 Pxc 0.6778062E+01 Qxc -0.3831647E+01 3,-1 98 3 +1 -1.038626 1.451754 2.164794 Rho 0.2471494E-01 |GRAD(Rho)| 0.1009552E-15 GRAD(Rho)x 0.2579258E-17 GRAD(Rho)y 0.7524836E-16 GRAD(Rho)z 0.6725314E-16 Laplacian 0.9348211E-01 (-1/4)Del**2(Rho)) -0.2337053E-01 Diamond 0.1085665E-01 Metallicity 0.1545791E+01 Ellipticity -0.2623043E+01 Gb(Abramov) 0.2160134E-01 Vb(Abramov) -0.1983216E-01 Hb(Abramov) 0.1769185E-02 Ex_ueg -0.5316975E-02 Ec_ueg -0.1074373E-02 Delta_ex -0.5666367E-02 Delta_ec 0.1354325E-02 Delta_et -0.1197704E-01 Pxc 0.4948910E+01 Qxc -0.4183904E+01 3,+1 99 3 +1 -0.162218 -2.916541 -0.161570 Rho 0.5227974E-02 |GRAD(Rho)| 0.9222703E-17 GRAD(Rho)x 0.6592853E-17 GRAD(Rho)y -0.6897538E-18 GRAD(Rho)z -0.6412237E-17 Laplacian 0.2076203E-01 (-1/4)Del**2(Rho)) -0.5190507E-02 Diamond 0.4925893E-03 Metallicity 0.5226758E+00 Ellipticity -0.3146707E+01 Gb(Abramov) 0.3912497E-02 Vb(Abramov) -0.2634487E-02 Hb(Abramov) 0.1278010E-02 Ex_ueg -0.6701360E-03 Ec_ueg -0.1567366E-03 Delta_ex -0.1022409E-02 Delta_ec 0.6202034E-03 Delta_et -0.3427112E-02 Pxc 0.4275555E+01 Qxc -0.1648506E+01 3,+1 100 3 -1 0.574031 -2.795617 -1.823470 Rho 0.1154489E+00 |GRAD(Rho)| 0.1294438E-15 GRAD(Rho)x -0.8288726E-16 GRAD(Rho)y 0.4338503E-16 GRAD(Rho)z -0.8946023E-16 Laplacian 0.5014386E+00 (-1/4)Del**2(Rho)) -0.1253596E+00 Diamond 0.7661542E+00 Metallicity 0.3761652E+01 Ellipticity 0.1540306E-01 Gb(Abramov) 0.1621663E+00 Vb(Abramov) -0.1989730E+00 Hb(Abramov) -0.3680668E-01 Ex_ueg -0.4151818E-01 Ec_ueg -0.6270043E-02 Delta_ex -0.5089334E-01 Delta_ec 0.1415865E-01 Delta_et -0.1816904E+00 Pxc 0.6621674E+01 Qxc -0.3594504E+01 3,-1 101 3 +1 0.083885 -0.063927 3.010266 Rho 0.4488298E-02 |GRAD(Rho)| 0.2675506E-17 GRAD(Rho)x 0.2340448E-17 GRAD(Rho)y 0.5170729E-18 GRAD(Rho)z 0.1188812E-17 Laplacian 0.1714326E-01 (-1/4)Del**2(Rho)) -0.4285815E-02 Diamond 0.3469319E-03 Metallicity 0.4908958E+00 Ellipticity -0.3923510E+01 Gb(Abramov) 0.3207858E-02 Vb(Abramov) -0.2129901E-02 Hb(Abramov) 0.1077957E-02 Ex_ueg -0.5467985E-03 Ec_ueg -0.1249591E-03 Delta_ex -0.8361421E-03 Delta_ec 0.5420118E-03 Delta_et -0.2848675E-02 Pxc 0.4375821E+01 Qxc -0.1542664E+01 3,+1 102 3 -1 -0.882132 -2.033520 -3.083070 Rho 0.1253717E+00 |GRAD(Rho)| 0.6741218E-14 GRAD(Rho)x -0.6430837E-14 GRAD(Rho)y -0.2013580E-14 GRAD(Rho)z -0.1839756E-15 Laplacian 0.5108093E+00 (-1/4)Del**2(Rho)) -0.1277023E+00 Diamond 0.8508840E+00 Metallicity 0.4236625E+01 Ellipticity 0.9137724E-02 Gb(Abramov) 0.1753060E+00 Vb(Abramov) -0.2229097E+00 Hb(Abramov) -0.4760370E-01 Ex_ueg -0.4634301E-01 Ec_ueg -0.6886131E-02 Delta_ex -0.5272529E-01 Delta_ec 0.1390619E-01 Delta_et -0.1807345E+00 Pxc 0.6729906E+01 Qxc -0.3791497E+01 3,-1 103 3 +1 -0.976293 2.200393 1.483813 Rho 0.2522231E-01 |GRAD(Rho)| 0.6328520E-14 GRAD(Rho)x 0.2718219E-14 GRAD(Rho)y 0.3545448E-14 GRAD(Rho)z 0.4482327E-14 Laplacian 0.9852356E-01 (-1/4)Del**2(Rho)) -0.2463089E-01 Diamond 0.9999812E-02 Metallicity 0.1517217E+01 Ellipticity -0.1846474E+01 Gb(Abramov) 0.2264900E-01 Vb(Abramov) -0.2066710E-01 Hb(Abramov) 0.1981895E-02 Ex_ueg -0.5463004E-02 Ec_ueg -0.1099914E-02 Delta_ex -0.5815428E-02 Delta_ec 0.1088551E-02 Delta_et -0.9761283E-02 Pxc 0.4966757E+01 Qxc -0.5342358E+01 3,+1 104 3 +1 1.785492 1.804720 1.799320 Rho 0.1140039E-01 |GRAD(Rho)| 0.2541660E-13 GRAD(Rho)x -0.1561884E-13 GRAD(Rho)y -0.9993784E-15 GRAD(Rho)z 0.2002640E-13 Laplacian 0.5340411E-01 (-1/4)Del**2(Rho)) -0.1335103E-01 Diamond 0.1899571E-02 Metallicity 0.7451406E+00 Ellipticity -0.1252770E+01 Gb(Abramov) 0.1055875E-01 Vb(Abramov) -0.7766473E-02 Hb(Abramov) 0.2792277E-02 Ex_ueg -0.1895010E-02 Ec_ueg -0.4319603E-03 Delta_ex -0.2560428E-02 Delta_ec 0.6406297E-03 Delta_et -0.4785120E-02 Pxc 0.4387000E+01 Qxc -0.3996736E+01 3,+1 105 3 +3 0.053219 2.351805 -0.020675 Rho 0.4358962E-02 |GRAD(Rho)| 0.1155280E-15 GRAD(Rho)x 0.7703675E-16 GRAD(Rho)y -0.7789218E-16 GRAD(Rho)z -0.3667229E-16 Laplacian 0.1777080E-01 (-1/4)Del**2(Rho)) -0.4442701E-02 Diamond 0.1410734E-03 Metallicity 0.4510360E+00 Ellipticity -0.3089421E+00 Gb(Abramov) 0.3295770E-02 Vb(Abramov) -0.2148840E-02 Hb(Abramov) 0.1146931E-02 Ex_ueg -0.5258911E-03 Ec_ueg -0.1194315E-03 Delta_ex -0.6337307E-03 Delta_ec 0.1543480E-03 Delta_et -0.9702935E-03 Pxc 0.4403287E+01 Qxc -0.4105857E+01 3,+3 106 3 -1 -0.865772 3.034935 2.010697 Rho 0.9871099E-01 |GRAD(Rho)| 0.2916850E-15 GRAD(Rho)x 0.2059713E-15 GRAD(Rho)y -0.2053513E-15 GRAD(Rho)z 0.2206351E-16 Laplacian 0.4150448E+00 (-1/4)Del**2(Rho)) -0.1037612E+00 Diamond 0.5247355E+00 Metallicity 0.3500478E+01 Ellipticity 0.1303471E-01 Gb(Abramov) 0.1297098E+00 Vb(Abramov) -0.1556583E+00 Hb(Abramov) -0.2594857E-01 Ex_ueg -0.3369295E-01 Ec_ueg -0.5247035E-02 Delta_ex -0.4061337E-01 Delta_ec 0.1212089E-01 Delta_et -0.1507919E+00 Pxc 0.6421332E+01 Qxc -0.3350693E+01 3,-1 107 3 -1 -0.593303 -1.821991 2.842890 Rho 0.1080601E+00 |GRAD(Rho)| 0.2705576E-15 GRAD(Rho)x -0.1217152E-15 GRAD(Rho)y 0.2369117E-15 GRAD(Rho)z -0.4753549E-16 Laplacian 0.4677765E+00 (-1/4)Del**2(Rho)) -0.1169441E+00 Diamond 0.6639937E+00 Metallicity 0.3611466E+01 Ellipticity 0.1618838E-01 Gb(Abramov) 0.1483527E+00 Vb(Abramov) -0.1797613E+00 Hb(Abramov) -0.3140859E-01 Ex_ueg -0.3801358E-01 Ec_ueg -0.5815837E-02 Delta_ex -0.4680977E-01 Delta_ec 0.1351481E-01 Delta_et -0.1713869E+00 Pxc 0.6536218E+01 Qxc -0.3463591E+01 3,-1 108 3 +3 -0.011268 0.002461 -2.401393 Rho 0.4204013E-02 |GRAD(Rho)| 0.4134481E-16 GRAD(Rho)x -0.2286317E-16 GRAD(Rho)y -0.2338044E-16 GRAD(Rho)z 0.2529870E-16 Laplacian 0.1646512E-01 (-1/4)Del**2(Rho)) -0.4116281E-02 Diamond 0.1274471E-03 Metallicity 0.4583053E+00 Ellipticity -0.2333506E+00 Gb(Abramov) 0.3058606E-02 Vb(Abramov) -0.2000931E-02 Hb(Abramov) 0.1057675E-02 Ex_ueg -0.5011147E-03 Ec_ueg -0.1128207E-03 Delta_ex -0.5852643E-03 Delta_ec 0.1492815E-03 Delta_et -0.9210858E-03 Pxc 0.4441690E+01 Qxc -0.3920542E+01 3,+3 109 3 +3 2.316293 -0.011887 0.028220 Rho 0.4500923E-02 |GRAD(Rho)| 0.6083924E-17 GRAD(Rho)x 0.2382670E-17 GRAD(Rho)y 0.3317117E-17 GRAD(Rho)z 0.4509295E-17 Laplacian 0.1832500E-01 (-1/4)Del**2(Rho)) -0.4581249E-02 Diamond 0.1523338E-03 Metallicity 0.4613939E+00 Ellipticity -0.3593364E+00 Gb(Abramov) 0.3406460E-02 Vb(Abramov) -0.2231670E-02 Hb(Abramov) 0.1174790E-02 Ex_ueg -0.5488502E-03 Ec_ueg -0.1254991E-03 Delta_ex -0.6593154E-03 Delta_ec 0.1599091E-03 Delta_et -0.1011786E-02 Pxc 0.4373340E+01 Qxc -0.4123063E+01 3,+3 110 3 +1 1.666791 -0.558615 -0.527771 Rho 0.8600640E-02 |GRAD(Rho)| 0.1123306E-10 GRAD(Rho)x -0.6196907E-11 GRAD(Rho)y -0.1759207E-11 GRAD(Rho)z 0.9202455E-11 Laplacian 0.3306775E-01 (-1/4)Del**2(Rho)) -0.8266938E-02 Diamond 0.9022537E-03 Metallicity 0.7523613E+00 Ellipticity -0.1484840E+01 Gb(Abramov) 0.6547913E-02 Vb(Abramov) -0.4828888E-02 Hb(Abramov) 0.1719025E-02 Ex_ueg -0.1301446E-02 Ec_ueg -0.3050088E-03 Delta_ex -0.1518454E-02 Delta_ec 0.4791755E-03 Delta_et -0.3263948E-02 Pxc 0.4266913E+01 Qxc -0.3168890E+01 3,+1 111 3 -1 0.616911 1.861023 2.878082 Rho 0.1396180E+00 |GRAD(Rho)| 0.5567677E-15 GRAD(Rho)x -0.3126297E-15 GRAD(Rho)y 0.4597288E-15 GRAD(Rho)z -0.3003918E-16 Laplacian 0.5906810E+00 (-1/4)Del**2(Rho)) -0.1476702E+00 Diamond 0.1119948E+01 Metallicity 0.4383581E+01 Ellipticity 0.1400553E-01 Gb(Abramov) 0.2063342E+00 Vb(Abramov) -0.2649982E+00 Hb(Abramov) -0.5866400E-01 Ex_ueg -0.5349421E-01 Ec_ueg -0.7782263E-02 Delta_ex -0.6256855E-01 Delta_ec 0.1567912E-01 Delta_et -0.2074414E+00 Pxc 0.6873863E+01 Qxc -0.3990564E+01 3,-1 112 3 +1 2.186808 1.323153 -1.137012 Rho 0.2770271E-01 |GRAD(Rho)| 0.6230990E-16 GRAD(Rho)x 0.5125352E-16 GRAD(Rho)y 0.2987813E-16 GRAD(Rho)z -0.1904987E-16 Laplacian 0.1119864E+00 (-1/4)Del**2(Rho)) -0.2799660E-01 Diamond 0.1800262E-01 Metallicity 0.1560696E+01 Ellipticity -0.6317141E+01 Gb(Abramov) 0.2594677E-01 Vb(Abramov) -0.2389693E-01 Hb(Abramov) 0.2049835E-02 Ex_ueg -0.6190819E-02 Ec_ueg -0.1225731E-02 Delta_ex -0.7266407E-02 Delta_ec 0.2091723E-02 Delta_et -0.1889975E-01 Pxc 0.5050716E+01 Qxc -0.3473886E+01 3,+1 113 3 -1 -0.478063 0.480780 0.435545 Rho 0.1769053E+00 |GRAD(Rho)| 0.4622172E-14 GRAD(Rho)x 0.2737394E-14 GRAD(Rho)y -0.2432082E-14 GRAD(Rho)z -0.2820660E-14 Laplacian 0.4613830E+00 (-1/4)Del**2(Rho)) -0.1153458E+00 Diamond 0.1168006E+01 Metallicity 0.8326317E+01 Ellipticity 0.1340746E-01 Gb(Abramov) 0.2369647E+00 Vb(Abramov) -0.3585837E+00 Hb(Abramov) -0.1216190E+00 Ex_ueg -0.7334539E-01 Ec_ueg -0.1018755E-01 Delta_ex -0.5184648E-01 Delta_ec 0.1162589E-01 Delta_et -0.1591379E+00 Pxc 0.7199512E+01 Qxc -0.4459571E+01 3,-1 114 3 +3 -0.017095 0.050576 2.388584 Rho 0.3875546E-02 |GRAD(Rho)| 0.2630338E-17 GRAD(Rho)x -0.2245577E-18 GRAD(Rho)y -0.1742490E-17 GRAD(Rho)z -0.1957545E-17 Laplacian 0.1509786E-01 (-1/4)Del**2(Rho)) -0.3774465E-02 Diamond 0.1032266E-03 Metallicity 0.4364348E+00 Ellipticity -0.2197394E+00 Gb(Abramov) 0.2790861E-02 Vb(Abramov) -0.1807257E-02 Hb(Abramov) 0.9836036E-03 Ex_ueg -0.4496027E-03 Ec_ueg -0.9884861E-04 Delta_ex -0.5238463E-03 Delta_ec 0.1335386E-03 Delta_et -0.8127068E-03 Pxc 0.4548397E+01 Qxc -0.3922808E+01 3,+3 115 3 +1 0.145231 -2.918048 0.161224 Rho 0.5227096E-02 |GRAD(Rho)| 0.6790117E-17 GRAD(Rho)x -0.4661126E-17 GRAD(Rho)y -0.1033335E-17 GRAD(Rho)z 0.4828231E-17 Laplacian 0.2075308E-01 (-1/4)Del**2(Rho)) -0.5188269E-02 Diamond 0.4911859E-03 Metallicity 0.5227550E+00 Ellipticity -0.3109471E+01 Gb(Abramov) 0.3910878E-02 Vb(Abramov) -0.2633488E-02 Hb(Abramov) 0.1277391E-02 Ex_ueg -0.6699860E-03 Ec_ueg -0.1566987E-03 Delta_ex -0.1020989E-02 Delta_ec 0.6182486E-03 Delta_et -0.3416855E-02 Pxc 0.4275631E+01 Qxc -0.1651421E+01 3,+1 116 3 -1 -0.891407 -3.038210 -2.008520 Rho 0.1112242E+00 |GRAD(Rho)| 0.2533504E-15 GRAD(Rho)x -0.1774974E-15 GRAD(Rho)y 0.1518561E-16 GRAD(Rho)z 0.1801402E-15 Laplacian 0.4558831E+00 (-1/4)Del**2(Rho)) -0.1139708E+00 Diamond 0.6642027E+00 Metallicity 0.3888285E+01 Ellipticity 0.1344417E-01 Gb(Abramov) 0.1498390E+00 Vb(Abramov) -0.1857072E+00 Hb(Abramov) -0.3586823E-01 Ex_ueg -0.3950486E-01 Ec_ueg -0.6009848E-02 Delta_ex -0.4584099E-01 Delta_ec 0.1293353E-01 Delta_et -0.1647313E+00 Pxc 0.6573354E+01 Qxc -0.3544354E+01 3,-1 117 3 -1 -0.009560 -2.918222 -0.001146 Rho 0.5252383E-02 |GRAD(Rho)| 0.6413223E-13 GRAD(Rho)x 0.6216730E-13 GRAD(Rho)y -0.1095653E-13 GRAD(Rho)z -0.1131921E-13 Laplacian 0.2046128E-01 (-1/4)Del**2(Rho)) -0.5115320E-02 Diamond 0.5683484E-03 Metallicity 0.5344917E+00 Ellipticity 0.3749964E+01 Gb(Abramov) 0.3865896E-02 Vb(Abramov) -0.2616472E-02 Hb(Abramov) 0.1249424E-02 Ex_ueg -0.6743110E-03 Ec_ueg -0.1577900E-03 Delta_ex -0.1077956E-02 Delta_ec 0.7351767E-03 Delta_et -0.4015553E-02 Pxc 0.4273471E+01 Qxc -0.1466254E+01 3,-1 118 3 -1 -0.580655 -2.789206 1.821973 Rho 0.1131722E+00 |GRAD(Rho)| 0.1017691E-14 GRAD(Rho)x 0.6848227E-15 GRAD(Rho)y 0.2390937E-15 GRAD(Rho)z 0.7138252E-15 Laplacian 0.4919149E+00 (-1/4)Del**2(Rho)) -0.1229787E+00 Diamond 0.7335372E+00 Metallicity 0.3709277E+01 Ellipticity 0.1550832E-01 Gb(Abramov) 0.1580128E+00 Vb(Abramov) -0.1930469E+00 Hb(Abramov) -0.3503411E-01 Ex_ueg -0.4043008E-01 Ec_ueg -0.6129661E-02 Delta_ex -0.4969027E-01 Delta_ec 0.1394546E-01 Delta_et -0.1782725E+00 Pxc 0.6595809E+01 Qxc -0.3563187E+01 3,-1 119 3 -1 -0.569608 1.841574 -2.869752 Rho 0.1321403E+00 |GRAD(Rho)| 0.1727996E-13 GRAD(Rho)x 0.1666985E-13 GRAD(Rho)y -0.1569789E-14 GRAD(Rho)z -0.4271865E-14 Laplacian 0.5630079E+00 (-1/4)Del**2(Rho)) -0.1407520E+00 Diamond 0.1000824E+01 Metallicity 0.4195889E+01 Ellipticity 0.1513457E-01 Gb(Abramov) 0.1922646E+00 Vb(Abramov) -0.2437772E+00 Hb(Abramov) -0.5151261E-01 Ex_ueg -0.4970865E-01 Ec_ueg -0.7310234E-02 Delta_ex -0.5887052E-01 Delta_ec 0.1517707E-01 Delta_et -0.1990873E+00 Pxc 0.6799871E+01 Qxc -0.3878912E+01 3,-1 120 3 -1 -0.514670 1.761575 1.737770 Rho 0.3771617E-01 |GRAD(Rho)| 0.1558091E-15 GRAD(Rho)x -0.1105878E-15 GRAD(Rho)y -0.9342731E-16 GRAD(Rho)z 0.5760332E-16 Laplacian 0.1590577E+00 (-1/4)Del**2(Rho)) -0.3976442E-01 Diamond 0.5908875E-01 Metallicity 0.1837686E+01 Ellipticity 0.1676768E-01 Gb(Abramov) 0.3868870E-01 Vb(Abramov) -0.3761297E-01 Hb(Abramov) 0.1075723E-02 Ex_ueg -0.9341613E-02 Ec_ueg -0.1748068E-02 Delta_ex -0.1246345E-01 Delta_ec 0.5211430E-02 Delta_et -0.5101065E-01 Pxc 0.5343964E+01 Qxc -0.2391561E+01 3,-1 121 3 -1 -0.866300 2.010227 3.034694 Rho 0.1120736E+00 |GRAD(Rho)| 0.1158296E-13 GRAD(Rho)x 0.8359334E-14 GRAD(Rho)y 0.7236385E-14 GRAD(Rho)z -0.3452710E-14 Laplacian 0.4601834E+00 (-1/4)Del**2(Rho)) -0.1150459E+00 Diamond 0.6763445E+00 Metallicity 0.3901107E+01 Ellipticity 0.1083865E-01 Gb(Abramov) 0.1514983E+00 Vb(Abramov) -0.1879507E+00 Hb(Abramov) -0.3645242E-01 Ex_ueg -0.3990766E-01 Ec_ueg -0.6062061E-02 Delta_ex -0.4635154E-01 Delta_ec 0.1302558E-01 Delta_et -0.1661345E+00 Pxc 0.6583184E+01 Qxc -0.3558502E+01 3,-1 122 3 +1 0.535942 0.598443 1.715166 Rho 0.7166645E-02 |GRAD(Rho)| 0.1262875E-16 GRAD(Rho)x -0.9709764E-17 GRAD(Rho)y -0.2577836E-17 GRAD(Rho)z -0.7652493E-17 Laplacian 0.2635088E-01 (-1/4)Del**2(Rho)) -0.6587721E-02 Diamond 0.5414215E-03 Metallicity 0.6966443E+00 Ellipticity -0.1420000E+01 Gb(Abramov) 0.5156697E-02 Vb(Abramov) -0.3725673E-02 Hb(Abramov) 0.1431024E-02 Ex_ueg -0.1020484E-02 Ec_ueg -0.2413117E-03 Delta_ex -0.1144911E-02 Delta_ec 0.3617890E-03 Delta_et -0.2366592E-02 Pxc 0.4228904E+01 Qxc -0.3164582E+01 3,+1 123 3 -1 -0.555912 2.809862 -1.829955 Rho 0.1016876E+00 |GRAD(Rho)| 0.3549945E-12 GRAD(Rho)x -0.2277426E-12 GRAD(Rho)y 0.7977959E-13 GRAD(Rho)z 0.2603644E-12 Laplacian 0.4378021E+00 (-1/4)Del**2(Rho)) -0.1094505E+00 Diamond 0.5804862E+00 Metallicity 0.3486972E+01 Ellipticity 0.3728203E-02 Gb(Abramov) 0.1365755E+00 Vb(Abramov) -0.1637005E+00 Hb(Abramov) -0.2712497E-01 Ex_ueg -0.3505437E-01 Ec_ueg -0.5427392E-02 Delta_ex -0.4324790E-01 Delta_ec 0.1290600E-01 Delta_et -0.1617837E+00 Pxc 0.6458788E+01 Qxc -0.3350992E+01 3,-1 124 3 +1 1.364161 -1.105264 2.216599 Rho 0.2511119E-01 |GRAD(Rho)| 0.5518687E-16 GRAD(Rho)x 0.2944250E-16 GRAD(Rho)y 0.5977373E-17 GRAD(Rho)z 0.4629255E-16 Laplacian 0.9419627E-01 (-1/4)Del**2(Rho)) -0.2354907E-01 Diamond 0.1252752E-01 Metallicity 0.1575282E+01 Ellipticity -0.5043789E+01 Gb(Abramov) 0.2188212E-01 Vb(Abramov) -0.2021517E-01 Hb(Abramov) 0.1666951E-02 Ex_ueg -0.5430939E-02 Ec_ueg -0.1094314E-02 Delta_ex -0.5879720E-02 Delta_ec 0.1623921E-02 Delta_et -0.1434439E-01 Pxc 0.4962869E+01 Qxc -0.3620692E+01 3,+1 125 3 +3 1.115711 -1.113013 -1.149804 Rho 0.5118188E-02 |GRAD(Rho)| 0.3858394E-17 GRAD(Rho)x -0.3192795E-17 GRAD(Rho)y 0.5008364E-18 GRAD(Rho)z 0.2107707E-17 Laplacian 0.1949395E-01 (-1/4)Del**2(Rho)) -0.4873489E-02 Diamond 0.1390432E-03 Metallicity 0.5373290E+00 Ellipticity -0.1707312E+00 Gb(Abramov) 0.3685437E-02 Vb(Abramov) -0.2497385E-02 Hb(Abramov) 0.1188052E-02 Ex_ueg -0.6514384E-03 Ec_ueg -0.1520025E-03 Delta_ex -0.6765224E-03 Delta_ec 0.8343337E-04 Delta_et -0.6701835E-03 Pxc 0.4285710E+01 Qxc -0.8108535E+01 3,+3 126 3 +3 1.088323 1.131887 1.159072 Rho 0.4634056E-02 |GRAD(Rho)| 0.4487089E-17 GRAD(Rho)x 0.3418249E-17 GRAD(Rho)y -0.2716845E-17 GRAD(Rho)z -0.1033582E-17 Laplacian 0.1707031E-01 (-1/4)Del**2(Rho)) -0.4267579E-02 Diamond 0.1070748E-03 Metallicity 0.5199646E+00 Ellipticity -0.1038853E+00 Gb(Abramov) 0.3214884E-02 Vb(Abramov) -0.2162189E-02 Hb(Abramov) 0.1052695E-02 Ex_ueg -0.5706021E-03 Ec_ueg -0.1311989E-03 Delta_ex -0.5771204E-03 Delta_ec 0.7454657E-04 Delta_et -0.5843261E-03 Pxc 0.4349139E+01 Qxc -0.7741744E+01 3,+3 127 3 +3 -0.008030 -2.323078 -0.003022 Rho 0.4540934E-02 |GRAD(Rho)| 0.2636814E-16 GRAD(Rho)x -0.1263618E-16 GRAD(Rho)y 0.1875483E-16 GRAD(Rho)z -0.1355959E-16 Laplacian 0.1826529E-01 (-1/4)Del**2(Rho)) -0.4566323E-02 Diamond 0.1586229E-03 Metallicity 0.4697808E+00 Ellipticity -0.3032439E+00 Gb(Abramov) 0.3401744E-02 Vb(Abramov) -0.2237164E-02 Hb(Abramov) 0.1164579E-02 Ex_ueg -0.5553652E-03 Ec_ueg -0.1272111E-03 Delta_ex -0.6638906E-03 Delta_ec 0.1687182E-03 Delta_et -0.1056016E-02 Pxc 0.4365697E+01 Qxc -0.3934907E+01 3,+3 128 3 -1 0.060182 3.280109 3.266279 Rho 0.2136563E+00 |GRAD(Rho)| 0.2965307E-13 GRAD(Rho)x -0.4021428E-14 GRAD(Rho)y -0.2151209E-13 GRAD(Rho)z -0.2000906E-13 Laplacian 0.7959398E+00 (-1/4)Del**2(Rho)) -0.1989850E+00 Diamond 0.2449404E+01 Metallicity 0.6610879E+01 Ellipticity 0.2631663E-02 Gb(Abramov) 0.3519009E+00 Vb(Abramov) -0.5048168E+00 Hb(Abramov) -0.1529159E+00 Ex_ueg -0.9433497E-01 Ec_ueg -0.1263709E-01 Delta_ex -0.9331980E-01 Delta_ec 0.1820398E-01 Delta_et -0.2507992E+00 Pxc 0.7464927E+01 Qxc -0.5126342E+01 3,-1 129 3 -1 0.610622 2.844413 1.834453 Rho 0.1167527E+00 |GRAD(Rho)| 0.7971880E-16 GRAD(Rho)x 0.5705614E-17 GRAD(Rho)y -0.5938040E-16 GRAD(Rho)z 0.5288196E-16 Laplacian 0.5021883E+00 (-1/4)Del**2(Rho)) -0.1255471E+00 Diamond 0.7750552E+00 Metallicity 0.3826999E+01 Ellipticity 0.1515051E-01 Gb(Abramov) 0.1637761E+00 Vb(Abramov) -0.2020052E+00 Hb(Abramov) -0.3822906E-01 Ex_ueg -0.4214452E-01 Ec_ueg -0.6350601E-02 Delta_ex -0.5106680E-01 Delta_ec 0.1407716E-01 Delta_et -0.1809237E+00 Pxc 0.6636305E+01 Qxc -0.3627636E+01 3,-1 130 3 -1 0.903580 3.015083 -2.022399 Rho 0.1134838E+00 |GRAD(Rho)| 0.6213141E-13 GRAD(Rho)x -0.4241904E-13 GRAD(Rho)y -0.2572449E-13 GRAD(Rho)z -0.3740572E-13 Laplacian 0.4685882E+00 (-1/4)Del**2(Rho)) -0.1171470E+00 Diamond 0.6977304E+00 Metallicity 0.3911814E+01 Ellipticity 0.1309142E-01 Gb(Abramov) 0.1544743E+00 Vb(Abramov) -0.1918015E+00 Hb(Abramov) -0.3732723E-01 Ex_ueg -0.4057858E-01 Ec_ueg -0.6148853E-02 Delta_ex -0.4731620E-01 Delta_ec 0.1318981E-01 Delta_et -0.1685766E+00 Pxc 0.6599373E+01 Qxc -0.3587330E+01 3,-1 131 3 -1 -0.016609 3.259129 -3.270693 Rho 0.2123261E+00 |GRAD(Rho)| 0.1454176E-13 GRAD(Rho)x 0.2373088E-14 GRAD(Rho)y -0.1047296E-13 GRAD(Rho)z 0.9805524E-14 Laplacian 0.7984540E+00 (-1/4)Del**2(Rho)) -0.1996135E+00 Diamond 0.2433833E+01 Metallicity 0.6521822E+01 Ellipticity 0.5573508E-02 Gb(Abramov) 0.3500496E+00 Vb(Abramov) -0.5004857E+00 Hb(Abramov) -0.1504361E+00 Ex_ueg -0.9355269E-01 Ec_ueg -0.1254711E-01 Delta_ex -0.9343328E-01 Delta_ec 0.1823846E-01 Delta_et -0.2509651E+00 Pxc 0.7456112E+01 Qxc -0.5122871E+01 3,-1 132 3 +1 0.191382 3.008845 -0.177317 Rho 0.5206491E-02 |GRAD(Rho)| 0.3378744E-15 GRAD(Rho)x 0.2475469E-15 GRAD(Rho)y 0.2318534E-16 GRAD(Rho)z -0.2287840E-15 Laplacian 0.2096628E-01 (-1/4)Del**2(Rho)) -0.5241569E-02 Diamond 0.4786731E-03 Metallicity 0.5140441E+00 Ellipticity -0.2369043E+01 Gb(Abramov) 0.3943446E-02 Vb(Abramov) -0.2645322E-02 Hb(Abramov) 0.1298123E-02 Ex_ueg -0.6664669E-03 Ec_ueg -0.1558098E-03 Delta_ex -0.1017537E-02 Delta_ec 0.6011494E-03 Delta_et -0.3328416E-02 Pxc 0.4277440E+01 Qxc -0.1692653E+01 3,+1 133 3 +1 0.542950 -0.566055 -1.706756 Rho 0.8255070E-02 |GRAD(Rho)| 0.3871307E-15 GRAD(Rho)x -0.1002460E-15 GRAD(Rho)y -0.3413870E-15 GRAD(Rho)z -0.1525643E-15 Laplacian 0.3125037E-01 (-1/4)Del**2(Rho)) -0.7812593E-02 Diamond 0.7900701E-03 Metallicity 0.7435198E+00 Ellipticity -0.1461087E+01 Gb(Abramov) 0.6176532E-02 Vb(Abramov) -0.4540470E-02 Hb(Abramov) 0.1636062E-02 Ex_ueg -0.1232195E-02 Ec_ueg -0.2895735E-03 Delta_ex -0.1412537E-02 Delta_ec 0.4390093E-03 Delta_et -0.2969754E-02 Pxc 0.4255206E+01 Qxc -0.3217557E+01 3,+1 134 3 -1 0.462916 -0.472791 0.470594 Rho 0.1864204E+00 |GRAD(Rho)| 0.1662271E-14 GRAD(Rho)x -0.7355228E-15 GRAD(Rho)y 0.7459311E-15 GRAD(Rho)z -0.1290634E-14 Laplacian 0.5040906E+00 (-1/4)Del**2(Rho)) -0.1260227E+00 Diamond 0.1346920E+01 Metallicity 0.8316241E+01 Ellipticity 0.1478545E-02 Gb(Abramov) 0.2586876E+00 Vb(Abramov) -0.3913525E+00 Hb(Abramov) -0.1326649E+00 Ex_ueg -0.7865200E-01 Ec_ueg -0.1081445E-01 Delta_ex -0.5730330E-01 Delta_ec 0.1236974E-01 Delta_et -0.1698480E+00 Pxc 0.7272864E+01 Qxc -0.4632540E+01 3,-1 135 3 -1 0.476356 0.463650 -0.493956 Rho 0.1845087E+00 |GRAD(Rho)| 0.9495135E-16 GRAD(Rho)x 0.7632783E-16 GRAD(Rho)y 0.1040834E-16 GRAD(Rho)z -0.5551115E-16 Laplacian 0.4972441E+00 (-1/4)Del**2(Rho)) -0.1243110E+00 Diamond 0.1317220E+01 Metallicity 0.8287146E+01 Ellipticity 0.3833228E-02 Gb(Abramov) 0.2545713E+00 Vb(Abramov) -0.3848315E+00 Hb(Abramov) -0.1302602E+00 Ex_ueg -0.7757841E-01 Ec_ueg -0.1068808E-01 Delta_ex -0.5641595E-01 Delta_ec 0.1230155E-01 Delta_et -0.1689284E+00 Pxc 0.7258406E+01 Qxc -0.4586086E+01 3,-1 136 3 +1 2.180816 -1.044191 1.429489 Rho 0.2498455E-01 |GRAD(Rho)| 0.2146953E-14 GRAD(Rho)x 0.1971242E-14 GRAD(Rho)y -0.1366870E-15 GRAD(Rho)z 0.8395998E-15 Laplacian 0.9553317E-01 (-1/4)Del**2(Rho)) -0.2388329E-01 Diamond 0.1141269E-01 Metallicity 0.1540203E+01 Ellipticity -0.2709414E+01 Gb(Abramov) 0.2205305E-01 Vb(Abramov) -0.2022281E-01 Hb(Abramov) 0.1830243E-02 Ex_ueg -0.5394448E-02 Ec_ueg -0.1087936E-02 Delta_ex -0.5824213E-02 Delta_ec 0.1413211E-02 Delta_et -0.1252111E-01 Pxc 0.4958423E+01 Qxc -0.4121261E+01 3,+1 137 3 -1 0.527690 -1.733814 1.759050 Rho 0.4291076E-01 |GRAD(Rho)| 0.7217105E-16 GRAD(Rho)x 0.1683224E-16 GRAD(Rho)y -0.6987429E-16 GRAD(Rho)z -0.6551376E-17 Laplacian 0.1851325E+00 (-1/4)Del**2(Rho)) -0.4628311E-01 Diamond 0.8209165E-01 Metallicity 0.1957677E+01 Ellipticity 0.2186035E-01 Gb(Abramov) 0.4595664E-01 Vb(Abramov) -0.4563016E-01 Hb(Abramov) 0.3264748E-03 Ex_ueg -0.1109533E-01 Ec_ueg -0.2026927E-02 Delta_ex -0.1497586E-01 Delta_ec 0.6074936E-02 Delta_et -0.6161379E-01 Pxc 0.5473964E+01 Qxc -0.2465189E+01 3,-1 138 3 -1 0.072149 -3.272079 -3.243383 Rho 0.2123382E+00 |GRAD(Rho)| 0.3204863E-12 GRAD(Rho)x -0.6450829E-13 GRAD(Rho)y 0.2301270E-12 GRAD(Rho)z 0.2135222E-12 Laplacian 0.7974025E+00 (-1/4)Del**2(Rho)) -0.1993506E+00 Diamond 0.2430953E+01 Metallicity 0.6531043E+01 Ellipticity 0.3757181E-02 Gb(Abramov) 0.3498950E+00 Vb(Abramov) -0.5004394E+00 Hb(Abramov) -0.1505444E+00 Ex_ueg -0.9355980E-01 Ec_ueg -0.1254793E-01 Delta_ex -0.9331261E-01 Delta_ec 0.1821593E-01 Delta_et -0.2506627E+00 Pxc 0.7456193E+01 Qxc -0.5122583E+01 3,-1 139 3 -1 1.729325 -1.741545 0.551825 Rho 0.4135894E-01 |GRAD(Rho)| 0.3476599E-12 GRAD(Rho)x -0.3298842E-12 GRAD(Rho)y 0.5167763E-13 GRAD(Rho)z -0.9681550E-13 Laplacian 0.1652695E+00 (-1/4)Del**2(Rho)) -0.4131738E-01 Diamond 0.6356014E-01 Metallicity 0.2062384E+01 Ellipticity 0.2221343E-01 Gb(Abramov) 0.4174696E-01 Vb(Abramov) -0.4217655E-01 Hb(Abramov) -0.4295873E-03 Ex_ueg -0.1056357E-01 Ec_ueg -0.1943113E-02 Delta_ex -0.1290842E-01 Delta_ec 0.4815003E-02 Delta_et -0.4826886E-01 Pxc 0.5436418E+01 Qxc -0.2680875E+01 3,-1 140 3 +1 1.773187 -1.755534 -1.777458 Rho 0.1199032E-01 |GRAD(Rho)| 0.2176401E-16 GRAD(Rho)x 0.1208411E-16 GRAD(Rho)y -0.1808952E-16 GRAD(Rho)z 0.6449612E-18 Laplacian 0.5863833E-01 (-1/4)Del**2(Rho)) -0.1465958E-01 Diamond 0.2284698E-02 Metallicity 0.7381583E+00 Ellipticity -0.1250962E+01 Gb(Abramov) 0.1157657E-01 Vb(Abramov) -0.8493559E-02 Hb(Abramov) 0.3083012E-02 Ex_ueg -0.2026871E-02 Ec_ueg -0.4591222E-03 Delta_ex -0.2863682E-02 Delta_ec 0.7289208E-03 Delta_et -0.5489371E-02 Pxc 0.4414666E+01 Qxc -0.3928660E+01 3,+1 141 3 -1 -0.066530 -3.270610 3.241533 Rho 0.2120064E+00 |GRAD(Rho)| 0.1062674E-14 GRAD(Rho)x 0.2144823E-15 GRAD(Rho)y 0.8274631E-15 GRAD(Rho)z -0.6313309E-15 Laplacian 0.7969842E+00 (-1/4)Del**2(Rho)) -0.1992460E+00 Diamond 0.2424650E+01 Metallicity 0.6517462E+01 Ellipticity 0.4294517E-02 Gb(Abramov) 0.3492605E+00 Vb(Abramov) -0.4992749E+00 Hb(Abramov) -0.1500144E+00 Ex_ueg -0.9336493E-01 Ec_ueg -0.1252550E-01 Delta_ex -0.9322319E-01 Delta_ec 0.1820918E-01 Delta_et -0.2505250E+00 Pxc 0.7453986E+01 Qxc -0.5119571E+01 3,-1 142 3 -1 0.547473 1.729729 -1.772477 Rho 0.4249352E-01 |GRAD(Rho)| 0.2664382E-15 GRAD(Rho)x 0.8217914E-17 GRAD(Rho)y 0.9927904E-16 GRAD(Rho)z -0.2471142E-15 Laplacian 0.1826941E+00 (-1/4)Del**2(Rho)) -0.4567351E-01 Diamond 0.7983571E-01 Metallicity 0.1951761E+01 Ellipticity 0.1514886E-01 Gb(Abramov) 0.4530631E-01 Vb(Abramov) -0.4493910E-01 Hb(Abramov) 0.3672081E-03 Ex_ueg -0.1095171E-01 Ec_ueg -0.2004351E-02 Delta_ex -0.1473773E-01 Delta_ec 0.5985050E-02 Delta_et -0.6053875E-01 Pxc 0.5463970E+01 Qxc -0.2462423E+01 3,-1 143 3 +1 1.106948 1.384228 -2.215347 Rho 0.2583844E-01 |GRAD(Rho)| 0.4727594E-14 GRAD(Rho)x 0.3698214E-14 GRAD(Rho)y -0.2852515E-14 GRAD(Rho)z -0.7324722E-15 Laplacian 0.9923495E-01 (-1/4)Del**2(Rho)) -0.2480874E-01 Diamond 0.1277995E-01 Metallicity 0.1568167E+01 Ellipticity -0.3061066E+01 Gb(Abramov) 0.2302320E-01 Vb(Abramov) -0.2123766E-01 Hb(Abramov) 0.1785538E-02 Ex_ueg -0.5641659E-02 Ec_ueg -0.1131020E-02 Delta_ex -0.6143207E-02 Delta_ec 0.1535133E-02 Delta_et -0.1369138E-01 Pxc 0.4988114E+01 Qxc -0.4001743E+01 3,+1 144 3 +1 1.096760 -2.197937 1.377800 Rho 0.2503854E-01 |GRAD(Rho)| 0.3004380E-16 GRAD(Rho)x 0.5226678E-17 GRAD(Rho)y -0.1533189E-16 GRAD(Rho)z 0.2530307E-16 Laplacian 0.9555493E-01 (-1/4)Del**2(Rho)) -0.2388873E-01 Diamond 0.1211755E-01 Metallicity 0.1545403E+01 Ellipticity -0.3401971E+01 Gb(Abramov) 0.2207878E-01 Vb(Abramov) -0.2026882E-01 Hb(Abramov) 0.1809957E-02 Ex_ueg -0.5409998E-02 Ec_ueg -0.1090655E-02 Delta_ex -0.5901386E-02 Delta_ec 0.1542832E-02 Delta_et -0.1364216E-01 Pxc 0.4960321E+01 Qxc -0.3825034E+01 3,+1 145 3 -1 0.878648 -2.026486 3.066221 Rho 0.1307891E+00 |GRAD(Rho)| 0.2415585E-16 GRAD(Rho)x 0.1745565E-16 GRAD(Rho)y 0.1580225E-16 GRAD(Rho)z -0.5393906E-17 Laplacian 0.5301967E+00 (-1/4)Del**2(Rho)) -0.1325492E+00 Diamond 0.9282160E+00 Metallicity 0.4379879E+01 Ellipticity 0.1310396E-01 Gb(Abramov) 0.1851244E+00 Vb(Abramov) -0.2376995E+00 Hb(Abramov) -0.5257517E-01 Ex_ueg -0.4903210E-01 Ec_ueg -0.7225331E-02 Delta_ex -0.5527067E-01 Delta_ec 0.1426939E-01 Delta_et -0.1867542E+00 Pxc 0.6786139E+01 Qxc -0.3873374E+01 3,-1 146 3 -1 0.591149 -1.820094 -2.837028 Rho 0.1126013E+00 |GRAD(Rho)| 0.1537448E-15 GRAD(Rho)x -0.8452711E-16 GRAD(Rho)y 0.3642919E-16 GRAD(Rho)z 0.1231484E-15 Laplacian 0.4844194E+00 (-1/4)Del**2(Rho)) -0.1211049E+00 Diamond 0.7188971E+00 Metallicity 0.3735059E+01 Ellipticity 0.1721117E-01 Gb(Abramov) 0.1561255E+00 Vb(Abramov) -0.1911462E+00 Hb(Abramov) -0.3502068E-01 Ex_ueg -0.4015840E-01 Ec_ueg -0.6094523E-02 Delta_ex -0.4888866E-01 Delta_ec 0.1377258E-01 Delta_et -0.1759272E+00 Pxc 0.6589261E+01 Qxc -0.3549711E+01 3,-1 147 3 +1 1.078206 2.182180 -1.425774 Rho 0.2628608E-01 |GRAD(Rho)| 0.2350331E-16 GRAD(Rho)x 0.6552653E-17 GRAD(Rho)y 0.2256704E-16 GRAD(Rho)z 0.4437526E-18 Laplacian 0.1012868E+00 (-1/4)Del**2(Rho)) -0.2532170E-01 Diamond 0.1334027E-01 Metallicity 0.1581018E+01 Ellipticity -0.3066124E+01 Gb(Abramov) 0.2355347E-01 Vb(Abramov) -0.2178525E-01 Hb(Abramov) 0.1768223E-02 Ex_ueg -0.5772353E-02 Ec_ueg -0.1153682E-02 Delta_ex -0.6297825E-02 Delta_ec 0.1563831E-02 Delta_et -0.1400424E-01 Pxc 0.5003418E+01 Qxc -0.4027178E+01 3,+1 148 3 -1 1.748312 0.524837 -1.746820 Rho 0.4558767E-01 |GRAD(Rho)| 0.1204507E-14 GRAD(Rho)x 0.7273946E-15 GRAD(Rho)y -0.2643503E-15 GRAD(Rho)z -0.9229589E-15 Laplacian 0.1839448E+00 (-1/4)Del**2(Rho)) -0.4598620E-01 Diamond 0.8152257E-01 Metallicity 0.2179405E+01 Ellipticity 0.1209519E-01 Gb(Abramov) 0.4736122E-01 Vb(Abramov) -0.4873625E-01 Hb(Abramov) -0.1375026E-02 Ex_ueg -0.1202767E-01 Ec_ueg -0.2172468E-02 Delta_ex -0.1475895E-01 Delta_ec 0.5422031E-02 Delta_et -0.5578883E-01 Pxc 0.5536408E+01 Qxc -0.2722035E+01 3,-1 149 3 -1 1.747289 1.744221 -0.535338 Rho 0.4240317E-01 |GRAD(Rho)| 0.1296075E-15 GRAD(Rho)x 0.9680740E-16 GRAD(Rho)y 0.6981224E-16 GRAD(Rho)z 0.5052403E-16 Laplacian 0.1704842E+00 (-1/4)Del**2(Rho)) -0.4262106E-01 Diamond 0.6805550E-01 Metallicity 0.2084137E+01 Ellipticity 0.2428806E-01 Gb(Abramov) 0.4321872E-01 Vb(Abramov) -0.4381639E-01 Hb(Abramov) -0.5976655E-03 Ex_ueg -0.1092068E-01 Ec_ueg -0.1999466E-02 Delta_ex -0.1341116E-01 Delta_ec 0.4987947E-02 Delta_et -0.5033926E-01 Pxc 0.5461797E+01 Qxc -0.2688714E+01 3,-1 150 3 -1 0.918810 1.991094 -3.065529 Rho 0.1201203E+00 |GRAD(Rho)| 0.1605137E-15 GRAD(Rho)x 0.2648164E-16 GRAD(Rho)y -0.6783040E-16 GRAD(Rho)z 0.1430469E-15 Laplacian 0.4892323E+00 (-1/4)Del**2(Rho)) -0.1223081E+00 Diamond 0.7818593E+00 Metallicity 0.4118999E+01 Ellipticity 0.1792255E-01 Gb(Abramov) 0.1655032E+00 Vb(Abramov) -0.2086983E+00 Hb(Abramov) -0.4319513E-01 Ex_ueg -0.4377304E-01 Ec_ueg -0.6559224E-02 Delta_ex -0.5009123E-01 Delta_ec 0.1363783E-01 Delta_et -0.1762140E+00 Pxc 0.6673509E+01 Qxc -0.3672962E+01 3,-1 151 3 -1 1.829341 -2.796558 -0.549528 Rho 0.1517395E+00 |GRAD(Rho)| 0.1490513E-15 GRAD(Rho)x 0.6629896E-16 GRAD(Rho)y 0.1242699E-15 GRAD(Rho)z -0.4876199E-16 Laplacian 0.6296033E+00 (-1/4)Del**2(Rho)) -0.1574008E+00 Diamond 0.1285471E+01 Metallicity 0.4724732E+01 Ellipticity 0.1177449E-01 Gb(Abramov) 0.2288800E+00 Vb(Abramov) -0.3003592E+00 Hb(Abramov) -0.7147917E-01 Ex_ueg -0.5977458E-01 Ec_ueg -0.8554959E-02 Delta_ex -0.6772496E-01 Delta_ec 0.1578490E-01 Delta_et -0.2101258E+00 Pxc 0.6987126E+01 Qxc -0.4290489E+01 3,-1 152 3 +1 2.972656 -0.177342 0.193053 Rho 0.5346084E-02 |GRAD(Rho)| 0.1646533E-16 GRAD(Rho)x 0.3045248E-17 GRAD(Rho)y 0.1041099E-17 GRAD(Rho)z 0.1614775E-16 Laplacian 0.2156002E-01 (-1/4)Del**2(Rho)) -0.5390006E-02 Diamond 0.4937136E-03 Metallicity 0.5224245E+00 Ellipticity -0.2188698E+01 Gb(Abramov) 0.4062649E-02 Vb(Abramov) -0.2735292E-02 Hb(Abramov) 0.1327357E-02 Ex_ueg -0.6903978E-03 Ec_ueg -0.1618365E-03 Delta_ex -0.1038036E-02 Delta_ec 0.5933726E-03 Delta_et -0.3322197E-02 Pxc 0.4266021E+01 Qxc -0.1749383E+01 3,+1 153 3 +3 1.977416 1.964516 -1.983222 Rho 0.1195252E-01 |GRAD(Rho)| 0.1349392E-16 GRAD(Rho)x 0.3033077E-18 GRAD(Rho)y -0.1071967E-16 GRAD(Rho)z -0.8190400E-17 Laplacian 0.5401768E-01 (-1/4)Del**2(Rho)) -0.1350442E-01 Diamond 0.1386861E-02 Metallicity 0.7970948E+00 Ellipticity -0.9404118E+00 Gb(Abramov) 0.1079700E-01 Vb(Abramov) -0.8089575E-02 Hb(Abramov) 0.2707423E-02 Ex_ueg -0.2018357E-02 Ec_ueg -0.4573778E-03 Delta_ex -0.2429932E-02 Delta_ec 0.3038934E-03 Delta_et -0.2582409E-02 Pxc 0.4412887E+01 Qxc -0.7996000E+01 3,+3 154 3 -1 1.844812 2.840788 0.570264 Rho 0.1501489E+00 |GRAD(Rho)| 0.2898155E-15 GRAD(Rho)x -0.2896446E-15 GRAD(Rho)y 0.6844026E-17 GRAD(Rho)z 0.7223497E-17 Laplacian 0.6133241E+00 (-1/4)Del**2(Rho)) -0.1533310E+00 Diamond 0.1238863E+01 Metallicity 0.4765698E+01 Ellipticity 0.1319047E-01 Gb(Abramov) 0.2240089E+00 Vb(Abramov) -0.2946868E+00 Hb(Abramov) -0.7067789E-01 Ex_ueg -0.5894058E-01 Ec_ueg -0.8453044E-02 Delta_ex -0.6582637E-01 Delta_ec 0.1545956E-01 Delta_et -0.2055992E+00 Pxc 0.6972705E+01 Qxc -0.4257972E+01 3,-1 155 3 -1 2.027784 -0.874393 3.076026 Rho 0.1268120E+00 |GRAD(Rho)| 0.4823503E-12 GRAD(Rho)x -0.2571309E-12 GRAD(Rho)y -0.3499011E-12 GRAD(Rho)z 0.2100350E-12 Laplacian 0.5121800E+00 (-1/4)Del**2(Rho)) -0.1280450E+00 Diamond 0.8680681E+00 Metallicity 0.4306499E+01 Ellipticity 0.3870652E-02 Gb(Abramov) 0.1772676E+00 Vb(Abramov) -0.2264902E+00 Hb(Abramov) -0.4922262E-01 Ex_ueg -0.4705424E-01 Ec_ueg -0.6976121E-02 Delta_ex -0.5304979E-01 Delta_ec 0.1397541E-01 Delta_et -0.1821127E+00 Pxc 0.6745044E+01 Qxc -0.3795938E+01 3,-1 156 3 -1 1.853552 -0.568047 -2.819677 Rho 0.1536639E+00 |GRAD(Rho)| 0.4802472E-15 GRAD(Rho)x 0.4484802E-15 GRAD(Rho)y 0.1183678E-15 GRAD(Rho)z 0.1244664E-15 Laplacian 0.6329058E+00 (-1/4)Del**2(Rho)) -0.1582265E+00 Diamond 0.1309567E+01 Metallicity 0.4799847E+01 Ellipticity 0.9473498E-02 Gb(Abramov) 0.2320614E+00 Vb(Abramov) -0.3058964E+00 Hb(Abramov) -0.7383498E-01 Ex_ueg -0.6078751E-01 Ec_ueg -0.8678471E-02 Delta_ex -0.6826960E-01 Delta_ec 0.1577706E-01 Delta_et -0.2102778E+00 Pxc 0.7004404E+01 Qxc -0.4327144E+01 3,-1 157 3 -1 1.734272 -0.523267 1.771583 Rho 0.3977295E-01 |GRAD(Rho)| 0.7336529E-16 GRAD(Rho)x -0.1019404E-17 GRAD(Rho)y -0.3525415E-16 GRAD(Rho)z -0.6433173E-16 Laplacian 0.1708621E+00 (-1/4)Del**2(Rho)) -0.4271553E-01 Diamond 0.6831806E-01 Metallicity 0.1869019E+01 Ellipticity 0.1836793E-01 Gb(Abramov) 0.4178304E-01 Vb(Abramov) -0.4085056E-01 Hb(Abramov) 0.9324848E-03 Ex_ueg -0.1002695E-01 Ec_ueg -0.1857895E-02 Delta_ex -0.1356731E-01 Delta_ec 0.5606783E-02 Delta_et -0.5569260E-01 Pxc 0.5396942E+01 Qxc -0.2419804E+01 3,-1 158 3 -1 2.021421 -3.048391 0.850010 Rho 0.1525149E+00 |GRAD(Rho)| 0.1770135E-15 GRAD(Rho)x -0.3179423E-16 GRAD(Rho)y -0.1663031E-15 GRAD(Rho)z 0.5163513E-16 Laplacian 0.5908300E+00 (-1/4)Del**2(Rho)) -0.1477075E+00 Diamond 0.1221229E+01 Metallicity 0.5077748E+01 Ellipticity 0.2727351E-01 Gb(Abramov) 0.2234752E+00 Vb(Abramov) -0.2992430E+00 Hb(Abramov) -0.7576774E-01 Ex_ueg -0.6018221E-01 Ec_ueg -0.8604699E-02 Delta_ex -0.6370739E-01 Delta_ec 0.1492462E-01 Delta_et -0.1991217E+00 Pxc 0.6994110E+01 Qxc -0.4268610E+01 3,-1 159 3 +1 2.017968 2.002612 -2.021033 Rho 0.1195630E-01 |GRAD(Rho)| 0.1766713E-13 GRAD(Rho)x -0.1033998E-13 GRAD(Rho)y -0.1037571E-13 GRAD(Rho)z 0.9877101E-14 Laplacian 0.5424605E-01 (-1/4)Del**2(Rho)) -0.1356151E-01 Diamond 0.1550435E-02 Metallicity 0.7941572E+00 Ellipticity -0.1050538E+01 Gb(Abramov) 0.1083600E-01 Vb(Abramov) -0.8110495E-02 Hb(Abramov) 0.2725509E-02 Ex_ueg -0.2019207E-02 Ec_ueg -0.4575521E-03 Delta_ex -0.2486046E-02 Delta_ec 0.3866268E-03 Delta_et -0.3140923E-02 Pxc 0.4413065E+01 Qxc -0.6430092E+01 3,+1 160 3 -1 2.793760 -1.819929 -0.554513 Rho 0.1286317E+00 |GRAD(Rho)| 0.2292348E-15 GRAD(Rho)x -0.5993605E-16 GRAD(Rho)y 0.1961728E-15 GRAD(Rho)z -0.1023351E-15 Laplacian 0.5336317E+00 (-1/4)Del**2(Rho)) -0.1334079E+00 Diamond 0.8993632E+00 Metallicity 0.4232710E+01 Ellipticity 0.1192708E-01 Gb(Abramov) 0.1830515E+00 Vb(Abramov) -0.2326950E+00 Hb(Abramov) -0.4964353E-01 Ex_ueg -0.4795670E-01 Ec_ueg -0.7090018E-02 Delta_ex -0.5520718E-01 Delta_ec 0.1406074E-01 Delta_et -0.1828710E+00 Pxc 0.6763974E+01 Qxc -0.3926335E+01 3,-1 161 3 -1 2.038920 3.021822 -0.841972 Rho 0.1488499E+00 |GRAD(Rho)| 0.7547446E-15 GRAD(Rho)x -0.5891013E-15 GRAD(Rho)y -0.4452141E-15 GRAD(Rho)z 0.1561522E-15 Laplacian 0.5839670E+00 (-1/4)Del**2(Rho)) -0.1459917E+00 Diamond 0.1168530E+01 Metallicity 0.4933319E+01 Ellipticity 0.2492309E-01 Gb(Abramov) 0.2173651E+00 Vb(Abramov) -0.2887385E+00 Hb(Abramov) -0.7137339E-01 Ex_ueg -0.5826170E-01 Ec_ueg -0.8369932E-02 Delta_ex -0.6255392E-01 Delta_ec 0.1477323E-01 Delta_et -0.1962859E+00 Pxc 0.6960833E+01 Qxc -0.4234275E+01 3,-1 162 3 -1 3.035056 -0.875509 2.004171 Rho 0.1094745E+00 |GRAD(Rho)| 0.3154783E-15 GRAD(Rho)x -0.1339667E-15 GRAD(Rho)y 0.1893017E-15 GRAD(Rho)z 0.2138792E-15 Laplacian 0.4517810E+00 (-1/4)Del**2(Rho)) -0.1129453E+00 Diamond 0.6473074E+00 Metallicity 0.3821260E+01 Ellipticity 0.5392024E-02 Gb(Abramov) 0.1472290E+00 Vb(Abramov) -0.1815128E+00 Hb(Abramov) -0.3428378E-01 Ex_ueg -0.3867843E-01 Ec_ueg -0.5902471E-02 Delta_ex -0.4528376E-01 Delta_ec 0.1290405E-01 Delta_et -0.1639106E+00 Pxc 0.6552922E+01 Qxc -0.3509267E+01 3,-1 163 3 -1 2.800671 -0.568510 -1.809703 Rho 0.1430121E+00 |GRAD(Rho)| 0.4204428E-09 GRAD(Rho)x 0.8913432E-10 GRAD(Rho)y -0.2705819E-09 GRAD(Rho)z 0.3092129E-09 Laplacian 0.5987652E+00 (-1/4)Del**2(Rho)) -0.1496913E+00 Diamond 0.1139111E+01 Metallicity 0.4501023E+01 Ellipticity 0.1314847E-01 Gb(Abramov) 0.2120882E+00 Vb(Abramov) -0.2744851E+00 Hb(Abramov) -0.6239689E-01 Ex_ueg -0.5523513E-01 Ec_ueg -0.7997698E-02 Delta_ex -0.6348321E-01 Delta_ec 0.1524472E-01 Delta_et -0.2012825E+00 Pxc 0.6906378E+01 Qxc -0.4164274E+01 3,-1 164 3 -1 3.266945 -0.084775 -3.192151 Rho 0.2351631E+00 |GRAD(Rho)| 0.2061493E-10 GRAD(Rho)x 0.1494009E-10 GRAD(Rho)y -0.3887645E-11 GRAD(Rho)z -0.1366218E-10 Laplacian 0.8620537E+00 (-1/4)Del**2(Rho)) -0.2155134E+00 Diamond 0.2973019E+01 Metallicity 0.7161889E+01 Ellipticity 0.1347046E-02 Gb(Abramov) 0.4009228E+00 Vb(Abramov) -0.5863322E+00 Hb(Abramov) -0.1854094E+00 Ex_ueg -0.1072039E+00 Ec_ueg -0.1410540E-01 Delta_ex -0.1035908E+00 Delta_ec 0.1913851E-01 Delta_et -0.2648185E+00 Pxc 0.7600207E+01 Qxc -0.5412691E+01 3,-1 165 3 -1 2.815845 0.581293 1.829362 Rho 0.1097681E+00 |GRAD(Rho)| 0.1712917E-09 GRAD(Rho)x 0.3599317E-10 GRAD(Rho)y 0.1103507E-09 GRAD(Rho)z -0.1259685E-09 Laplacian 0.4750171E+00 (-1/4)Del**2(Rho)) -0.1187543E+00 Diamond 0.6847641E+00 Metallicity 0.3650599E+01 Ellipticity 0.2171818E-01 Gb(Abramov) 0.1514236E+00 Vb(Abramov) -0.1840929E+00 Hb(Abramov) -0.3266929E-01 Ex_ueg -0.3881682E-01 Ec_ueg -0.5920476E-02 Delta_ex -0.4767224E-01 Delta_ec 0.1361264E-01 Delta_et -0.1730737E+00 Pxc 0.6556368E+01 Qxc -0.3502056E+01 3,-1 166 3 -1 3.020063 0.844284 -1.996500 Rho 0.1376468E+00 |GRAD(Rho)| 0.2824323E-15 GRAD(Rho)x 0.5323433E-16 GRAD(Rho)y 0.2303659E-15 GRAD(Rho)z 0.1544853E-15 Laplacian 0.5421711E+00 (-1/4)Del**2(Rho)) -0.1355428E+00 Diamond 0.9879772E+00 Metallicity 0.4663946E+01 Ellipticity 0.4332352E-01 Gb(Abramov) 0.1957226E+00 Vb(Abramov) -0.2559023E+00 Hb(Abramov) -0.6017978E-01 Ex_ueg -0.5248958E-01 Ec_ueg -0.7657482E-02 Delta_ex -0.5698070E-01 Delta_ec 0.1399022E-01 Delta_et -0.1837898E+00 Pxc 0.6854679E+01 Qxc -0.4072895E+01 3,-1 167 3 -1 3.227901 -3.232255 -0.083487 Rho 0.2344505E+00 |GRAD(Rho)| 0.6903073E-12 GRAD(Rho)x -0.4837330E-12 GRAD(Rho)y 0.4664682E-12 GRAD(Rho)z 0.1579047E-12 Laplacian 0.8539771E+00 (-1/4)Del**2(Rho)) -0.2134943E+00 Diamond 0.2937995E+01 Metallicity 0.7193148E+01 Ellipticity 0.4073335E-02 Gb(Abramov) 0.3982788E+00 Vb(Abramov) -0.5830634E+00 Hb(Abramov) -0.1847845E+00 Ex_ueg -0.1067710E+00 Ec_ueg -0.1405634E-01 Delta_ex -0.1025587E+00 Delta_ec 0.1901108E-01 Delta_et -0.2631738E+00 Pxc 0.7595934E+01 Qxc -0.5394684E+01 3,-1 168 3 -1 2.809552 1.837666 0.561442 Rho 0.1561868E+00 |GRAD(Rho)| 0.3382976E-15 GRAD(Rho)x -0.7548758E-16 GRAD(Rho)y 0.2782605E-15 GRAD(Rho)z -0.1769689E-15 Laplacian 0.6483805E+00 (-1/4)Del**2(Rho)) -0.1620951E+00 Diamond 0.1366871E+01 Metallicity 0.4814195E+01 Ellipticity 0.1000860E-01 Gb(Abramov) 0.2381230E+00 Vb(Abramov) -0.3141509E+00 Hb(Abramov) -0.7602787E-01 Ex_ueg -0.6212180E-01 Ec_ueg -0.8840725E-02 Delta_ex -0.7020975E-01 Delta_ec 0.1607614E-01 Delta_et -0.2146691E+00 Pxc 0.7026777E+01 Qxc -0.4367325E+01 3,-1 169 3 -1 3.017764 2.000270 -0.845378 Rho 0.1300666E+00 |GRAD(Rho)| 0.1023884E-15 GRAD(Rho)x 0.5400682E-17 GRAD(Rho)y -0.5975309E-16 GRAD(Rho)z 0.8296857E-16 Laplacian 0.5070562E+00 (-1/4)Del**2(Rho)) -0.1267640E+00 Diamond 0.8676612E+00 Metallicity 0.4537674E+01 Ellipticity 0.2889100E-01 Gb(Abramov) 0.1803783E+00 Vb(Abramov) -0.2339927E+00 Hb(Abramov) -0.5361431E-01 Ex_ueg -0.4867127E-01 Ec_ueg -0.7179979E-02 Delta_ex -0.5261768E-01 Delta_ec 0.1336005E-01 Delta_et -0.1741378E+00 Pxc 0.6778749E+01 Qxc -0.3938435E+01 3,-1 170 3 -1 3.025679 -2.028084 0.840086 Rho 0.1540247E+00 |GRAD(Rho)| 0.1296848E-13 GRAD(Rho)x -0.7636510E-14 GRAD(Rho)y 0.9398732E-14 GRAD(Rho)z 0.4639925E-14 Laplacian 0.6054902E+00 (-1/4)Del**2(Rho)) -0.1513725E+00 Diamond 0.1260473E+01 Metallicity 0.5036825E+01 Ellipticity 0.3044921E-01 Gb(Abramov) 0.2279879E+00 Vb(Abramov) -0.3046032E+00 Hb(Abramov) -0.7661532E-01 Ex_ueg -0.6097789E-01 Ec_ueg -0.8701651E-02 Delta_ex -0.6538966E-01 Delta_ec 0.1515511E-01 Delta_et -0.2022215E+00 Pxc 0.7007622E+01 Qxc -0.4314693E+01 3,-1 171 3 -1 3.256457 3.220199 0.067945 Rho 0.2339907E+00 |GRAD(Rho)| 0.8370430E-14 GRAD(Rho)x -0.6646701E-15 GRAD(Rho)y 0.6202450E-14 GRAD(Rho)z 0.5581391E-14 Laplacian 0.8532570E+00 (-1/4)Del**2(Rho)) -0.2133142E+00 Diamond 0.2928441E+01 Metallicity 0.7175698E+01 Ellipticity 0.4260825E-02 Gb(Abramov) 0.3973226E+00 Vb(Abramov) -0.5813310E+00 Hb(Abramov) -0.1840084E+00 Ex_ueg -0.1064919E+00 Ec_ueg -0.1402469E-01 Delta_ex -0.1024191E+00 Delta_ec 0.1900451E-01 Delta_et -0.2630556E+00 Pxc 0.7593168E+01 Qxc -0.5389198E+01 3,-1 172 3 -1 3.296071 0.050859 3.253152 Rho 0.2109524E+00 |GRAD(Rho)| 0.5503856E-15 GRAD(Rho)x -0.4913604E-15 GRAD(Rho)y -0.2133574E-15 GRAD(Rho)z -0.1263638E-15 Laplacian 0.7891525E+00 (-1/4)Del**2(Rho)) -0.1972881E+00 Diamond 0.2390105E+01 Metallicity 0.6527690E+01 Ellipticity 0.1801585E-02 Gb(Abramov) 0.3461647E+00 Vb(Abramov) -0.4950413E+00 Hb(Abramov) -0.1488766E+00 Ex_ueg -0.9274650E-01 Ec_ueg -0.1245429E-01 Delta_ex -0.9221168E-01 Delta_ec 0.1809643E-01 Delta_et -0.2490461E+00 Pxc 0.7446951E+01 Qxc -0.5095572E+01 3,-1 173 3 -1 -4.265024 3.736066 -0.832257 Rho 0.3348235E+00 |GRAD(Rho)| 0.1457583E-14 GRAD(Rho)x 0.6186703E-15 GRAD(Rho)y 0.1110932E-14 GRAD(Rho)z 0.7124792E-15 Laplacian -0.1755408E+01 (-1/4)Del**2(Rho)) 0.4388521E+00 Diamond 0.6344058E+01 Metallicity -0.6337650E+01 Ellipticity 0.1953353E-02 Gb(Abramov) 0.1709804E+00 Vb(Abramov) -0.7808129E+00 Hb(Abramov) -0.6098325E+00 Ex_ueg -0.1717142E+00 Ec_ueg -0.2124127E-01 Delta_ex 0.1783951E+00 Delta_ec 0.6043642E-01 Delta_et -0.1464557E+01 Pxc 0.8083992E+01 Qxc 0.2951781E+01 3,-1 174 3 -1 -3.033448 -2.003662 -0.846095 Rho 0.1514744E+00 |GRAD(Rho)| 0.2390522E-14 GRAD(Rho)x 0.8626184E-15 GRAD(Rho)y -0.1281635E-14 GRAD(Rho)z 0.1824251E-14 Laplacian 0.5935955E+00 (-1/4)Del**2(Rho)) -0.1483989E+00 Diamond 0.1211603E+01 Metallicity 0.4996752E+01 Ellipticity 0.3062235E-01 Gb(Abramov) 0.2225180E+00 Vb(Abramov) -0.2966371E+00 Hb(Abramov) -0.7411910E-01 Ex_ueg -0.5963537E-01 Ec_ueg -0.8537962E-02 Delta_ex -0.6384572E-01 Delta_ec 0.1492715E-01 Delta_et -0.1987516E+00 Pxc 0.6984732E+01 Qxc -0.4277152E+01 3,-1 175 3 -1 -2.027387 0.850935 3.020325 Rho 0.1517844E+00 |GRAD(Rho)| 0.5754827E-15 GRAD(Rho)x 0.2472794E-15 GRAD(Rho)y 0.5184113E-15 GRAD(Rho)z 0.3581933E-16 Laplacian 0.5924501E+00 (-1/4)Del**2(Rho)) -0.1481125E+00 Diamond 0.1212099E+01 Metallicity 0.5023502E+01 Ellipticity 0.2989634E-01 Gb(Abramov) 0.2227489E+00 Vb(Abramov) -0.2973853E+00 Hb(Abramov) -0.7463641E-01 Ex_ueg -0.5979816E-01 Ec_ueg -0.8557838E-02 Delta_ex -0.6375327E-01 Delta_ec 0.1488830E-01 Delta_et -0.1982834E+00 Pxc 0.6987532E+01 Qxc -0.4282105E+01 3,-1 176 3 -1 -2.033464 -3.033110 -0.856664 Rho 0.1535947E+00 |GRAD(Rho)| 0.2961509E-15 GRAD(Rho)x -0.2662801E-15 GRAD(Rho)y 0.3102173E-16 GRAD(Rho)z 0.1258488E-15 Laplacian 0.5926067E+00 (-1/4)Del**2(Rho)) -0.1481517E+00 Diamond 0.1235474E+01 Metallicity 0.5122401E+01 Ellipticity 0.3012265E-01 Gb(Abramov) 0.2252498E+00 Vb(Abramov) -0.3023480E+00 Hb(Abramov) -0.7709816E-01 Ex_ueg -0.6075098E-01 Ec_ueg -0.8674021E-02 Delta_ex -0.6401163E-01 Delta_ec 0.1494571E-01 Delta_et -0.1995999E+00 Pxc 0.7003785E+01 Qxc -0.4282944E+01 3,-1 177 3 +3 -1.945734 1.976868 1.974421 Rho 0.1215474E-01 |GRAD(Rho)| 0.5496320E-14 GRAD(Rho)x 0.2977347E-14 GRAD(Rho)y -0.3096408E-14 GRAD(Rho)z -0.3428877E-14 Laplacian 0.5590670E-01 (-1/4)Del**2(Rho)) -0.1397668E-01 Diamond 0.1512417E-02 Metallicity 0.7920001E+00 Ellipticity -0.9350652E+00 Gb(Abramov) 0.1116270E-01 Vb(Abramov) -0.8348735E-02 Hb(Abramov) 0.2813970E-02 Ex_ueg -0.2064013E-02 Ec_ueg -0.4667169E-03 Delta_ex -0.2539339E-02 Delta_ec 0.3363958E-03 Delta_et -0.2827409E-02 Pxc 0.4422409E+01 Qxc -0.7548663E+01 3,+3 178 3 -1 0.884886 -3.045315 2.002164 Rho 0.1142204E+00 |GRAD(Rho)| 0.4386260E-15 GRAD(Rho)x -0.4124576E-15 GRAD(Rho)y 0.1377072E-15 GRAD(Rho)z 0.5751693E-16 Laplacian 0.4694050E+00 (-1/4)Del**2(Rho)) -0.1173513E+00 Diamond 0.7065187E+00 Metallicity 0.3947345E+01 Ellipticity 0.1555321E-01 Gb(Abramov) 0.1554385E+00 Vb(Abramov) -0.1935257E+00 Hb(Abramov) -0.3808723E-01 Ex_ueg -0.4093016E-01 Ec_ueg -0.6194249E-02 Delta_ex -0.4750093E-01 Delta_ec 0.1324742E-01 Delta_et -0.1695983E+00 Pxc 0.6607768E+01 Qxc -0.3585675E+01 3,-1 179 3 -1 1.858820 0.599434 2.881349 Rho 0.1245017E+00 |GRAD(Rho)| 0.2765609E-13 GRAD(Rho)x -0.4463809E-14 GRAD(Rho)y -0.2722657E-13 GRAD(Rho)z -0.1909978E-14 Laplacian 0.5288689E+00 (-1/4)Del**2(Rho)) -0.1322172E+00 Diamond 0.8821514E+00 Metallicity 0.4044739E+01 Ellipticity 0.2276774E-01 Gb(Abramov) 0.1772755E+00 Vb(Abramov) -0.2223338E+00 Hb(Abramov) -0.4505829E-01 Ex_ueg -0.4591473E-01 Ec_ueg -0.6831843E-02 Delta_ex -0.5460776E-01 Delta_ec 0.1461569E-01 Delta_et -0.1900560E+00 Pxc 0.6720695E+01 Qxc -0.3736243E+01 3,-1 180 3 -1 2.054237 0.840990 -3.036291 Rho 0.1456261E+00 |GRAD(Rho)| 0.3987674E-09 GRAD(Rho)x 0.2045379E-09 GRAD(Rho)y -0.2896793E-09 GRAD(Rho)z 0.1823887E-09 Laplacian 0.5681095E+00 (-1/4)Del**2(Rho)) -0.1420274E+00 Diamond 0.1107309E+01 Metallicity 0.4889298E+01 Ellipticity 0.2770416E-01 Gb(Abramov) 0.2104206E+00 Vb(Abramov) -0.2788139E+00 Hb(Abramov) -0.6839324E-01 Ex_ueg -0.5658536E-01 Ec_ueg -0.8164113E-02 Delta_ex -0.6052929E-01 Delta_ec 0.1445053E-01 Delta_et -0.1914067E+00 Pxc 0.6930987E+01 Qxc -0.4188724E+01 3,-1 181 3 -1 -0.476569 -0.478055 -0.499159 Rho 0.1853194E+00 |GRAD(Rho)| 0.2882832E-11 GRAD(Rho)x 0.1732503E-11 GRAD(Rho)y 0.1613272E-11 GRAD(Rho)z 0.1645146E-11 Laplacian 0.5029445E+00 (-1/4)Del**2(Rho)) -0.1257361E+00 Diamond 0.1335480E+01 Metallicity 0.8253309E+01 Ellipticity 0.5305433E-02 Gb(Abramov) 0.2567806E+00 Vb(Abramov) -0.3878251E+00 Hb(Abramov) -0.1310445E+00 Ex_ueg -0.7803325E-01 Ec_ueg -0.1074164E-01 Delta_ex -0.5709648E-01 Delta_ec 0.1237629E-01 Delta_et -0.1698785E+00 Pxc 0.7264554E+01 Qxc -0.4613377E+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 78 137 107 118 145 178 141 89 146 100 102 116 138 142 119 123 150 130 131 120 111 129 121 106 128 139 160 151 170 158 167 149 168 154 169 161 171 92 78 90 71 91 56 88 79 87 174 176 66 93 68 97 74 83 62 57 64 95 69 175 63 157 165 179 162 155 172 148 163 156 166 180 164 134 181 135 113 117 173 1 1 1 1 1 1 2 2 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 13 14 15 16 26 47 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 53 53 28 54 2.418930 2.035919 2.019153 1.974974 2.025001 1.791177 2.420918 2.020902 2.011196 1.991034 2.036221 1.790645 2.424318 1.961588 2.061340 2.006302 2.029635 1.790543 2.477932 1.940218 2.007022 2.033178 2.080998 1.788452 2.446528 1.974702 1.911575 1.914990 1.918832 1.752473 2.434212 1.900353 1.916167 1.982047 1.929179 1.753199 2.294254 1.864372 1.873181 1.945083 1.890981 1.915006 2.409524 1.983542 1.908903 1.922179 1.916528 1.753145 2.429785 2.092953 1.968393 2.039919 1.965746 1.792473 2.446837 1.931070 1.887429 1.991091 1.920717 1.749729 2.449662 2.031004 1.984335 2.042688 1.987178 1.793213 2.404462 1.932501 1.906862 1.958931 1.937236 1.751149 1.697199 1.699598 1.702112 1.720999 3.306476 0.978607 2.421244 2.036109 2.019445 1.975300 2.025310 1.791184 2.422993 2.021186 2.011473 1.991364 2.036539 1.790653 2.426403 1.961784 2.061516 2.006655 2.029940 1.790552 2.479836 1.940419 2.007318 2.033486 2.081207 1.788456 2.448042 1.975088 1.911931 1.915522 1.919314 1.752481 2.435736 1.900687 1.916491 1.982596 1.929713 1.753209 2.295717 1.864886 1.873644 1.945767 1.891631 1.916016 2.411331 1.983928 1.909256 1.922714 1.916998 1.753156 2.431820 2.093100 1.968585 2.040234 1.966031 1.792484 2.448192 1.931549 1.887733 1.991461 1.921246 1.749737 2.451744 2.031212 1.984498 2.042986 1.987483 1.793217 2.406260 1.932962 1.907199 1.959536 1.937758 1.751157 1.697204 1.699597 1.702114 1.721033 3.311579 0.978809 27 29 29 26 24 24 30 25 26 25 28 24 28 26 26 25 25 24 29 29 26 25 26 25 29 26 26 25 25 21 28 25 26 24 26 23 29 23 25 24 27 25 27 25 25 24 24 21 30 26 27 25 25 24 27 25 28 26 25 23 29 25 24 24 26 25 28 25 27 25 24 23 22 21 25 24 35 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 Ta Ta Ta Ta W W W 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 O As H 2.2215 2.2191 2.2287 2.2185 2.4307 2.4387 2.5775 2.4373 2.2215 2.4405 2.2165 2.4396 -1.1076 -1.1177 -1.1176 -1.1209 -0.9714 -0.9711 -0.9465 -0.9824 -0.9809 -1.0166 -1.0185 -0.9760 -0.9523 -0.9833 -0.9889 -0.9838 -1.0040 -1.0058 -0.9929 -0.9846 -1.0364 -1.0064 -1.0030 -1.0360 -1.0012 -0.9814 -1.0027 -1.0085 -0.9366 -0.9358 -0.9340 -0.9315 -0.8448 -0.8470 -0.7717 -0.8453 -0.9399 -0.8341 -0.9452 -0.8376 2.5244 0.2875 2.1059 2.1077 2.1028 2.1070 2.1067 2.1045 2.0885 2.1061 2.1077 2.0986 2.1098 2.1021 1.9389 1.9377 1.9377 1.9351 1.9289 1.9289 1.9377 1.9286 1.9283 1.9238 1.9231 1.9296 1.9348 1.9282 1.9274 1.9279 1.9360 1.9357 1.9371 1.9388 1.9302 1.9356 1.9356 1.9309 1.9362 1.9414 1.9359 1.9355 1.9420 1.9422 1.9427 1.9437 1.9583 1.9580 1.8788 1.9577 1.9421 1.9601 1.9412 1.9589 0.8306 0.6053 6.0761 6.0775 6.0752 6.0788 6.1023 6.1008 6.0849 6.0990 6.0759 6.0991 6.0791 6.0989 5.1317 5.1425 5.1417 5.1479 5.0141 5.0135 4.9803 5.0270 5.0258 5.0681 5.0712 5.0187 4.9892 5.0284 5.0346 5.0291 5.0400 5.0424 5.0265 5.0160 5.0805 5.0424 5.0393 5.0790 5.0365 5.0116 5.0381 5.0455 4.9679 4.9668 4.9644 4.9607 4.8535 4.8560 4.8604 4.8547 4.9712 4.8405 4.9775 4.8454 1.1044 0.1072 2.5623 2.5617 2.5593 2.5618 3.3307 3.3266 3.2178 3.3281 2.5610 3.3324 2.5604 3.3300 0.0370 0.0375 0.0381 0.0379 0.0284 0.0287 0.0284 0.0269 0.0269 0.0248 0.0242 0.0277 0.0283 0.0267 0.0269 0.0268 0.0280 0.0276 0.0294 0.0298 0.0257 0.0284 0.0281 0.0261 0.0285 0.0283 0.0288 0.0276 0.0268 0.0268 0.0269 0.0272 0.0330 0.0329 0.0325 0.0329 0.0266 0.0335 0.0265 0.0332 10.5406 0.0000 14.0342 14.0341 14.0341 14.0339 14.0295 14.0295 14.0312 14.0295 14.0339 14.0294 14.0342 14.0294 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 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 54 Ta Ta Ta Ta W W W 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 O As H 2.366053 2.364855 2.363826 2.358867 2.498225 2.497845 2.535721 2.499494 2.358690 2.497093 2.362596 2.501343 -1.094518 -1.096948 -1.094973 -1.089163 -0.990957 -0.989761 -0.963335 -1.009142 -1.006503 -1.044346 -1.047530 -0.999088 -0.977403 -1.008179 -1.012289 -1.009065 -1.007175 -1.008971 -0.987167 -0.977771 -1.045293 -1.004302 -1.003072 -1.043242 -1.003337 -0.975410 -1.003961 -1.009203 -1.019594 -1.018616 -1.015001 -1.011416 -0.891171 -0.894155 -0.577572 -0.892886 -1.022189 -0.877983 -1.030407 -0.882996 2.318835 0.112648 1.847482 1.846135 1.843616 1.843392 1.930070 1.927614 1.832332 1.929869 1.838929 1.927102 1.842675 1.929381 -0.727818 -0.729843 -0.725022 -0.706889 -0.739119 -0.735825 -0.709222 -0.767832 -0.775217 -0.810627 -0.804057 -0.773301 -0.728324 -0.763653 -0.776456 -0.762620 -0.848683 -0.851640 -0.817799 -0.787174 -0.887090 -0.849102 -0.845018 -0.889314 -0.848942 -0.796645 -0.847042 -0.850455 -0.956628 -0.954982 -0.950501 -0.945669 -0.807052 -0.812210 -0.762904 -0.809408 -0.958761 -0.791567 -0.971131 -0.799551 1.734243 0.402252 1.966575 1.964910 1.963201 1.957832 2.041040 2.041795 2.047642 2.041914 1.955725 2.037944 1.963656 2.043299 -0.803387 -0.798891 -0.800053 -0.788047 -0.822430 -0.818832 -0.813334 -0.849581 -0.854608 -0.899342 -0.896976 -0.849070 -0.829017 -0.847542 -0.859426 -0.846200 -0.880898 -0.886393 -0.855657 -0.838490 -0.928035 -0.880069 -0.881408 -0.927266 -0.879354 -0.833490 -0.878090 -0.882840 -0.930409 -0.929318 -0.924558 -0.920054 -0.772864 -0.776506 -0.755378 -0.775300 -0.932959 -0.755109 -0.944417 -0.762755 1.668226 0.414592 -8.93936691 6.62914805 -1.83575575 11.27953385 38.11895219 -33.91541138 -22.66408173 5.06094967 -7.53559160 -43.17990186 -388.8287 431.8167 -18.2541 -435.4565 -75.6303 -486.3529 Jun20-2024 21:49:02 Nodes: 1 Procs: 1 Jun20-2024 21:49:08 Nodes: 1 Procs: 1 0 Jun20-2024 21:49:14 Nodes: 1 Procs: 1 Jun20-2024 21:49:18 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 21:49:21 Nodes: 1 Procs: 1 Jun20-2024 21:49:27 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 21:49:32 Nodes: 1 Procs: 1 Jun20-2024 21:49:34 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 21:49:39 Nodes: 1 Procs: 1 Jun20-2024 21:49:43 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 21:49:48 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -17.44115808 -17.74678272 -17.77369466 -17.85596538 -17.86417076 -17.86878376 -17.87061230 -17.87174698 -17.87249535 -17.87262937 -17.87283123 -17.87297989 -17.87308827 -17.87312526 -17.87314233 GEOMETRY CONVERGED