ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:03:33 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.48 0.07 2.58 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 07:03:33 Nodes: 1 Procs: 1 Jun20-2024 07:03:35 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:03:39 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.09 3.76 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 07:03:33 Nodes: 1 Procs: 1 Jun20-2024 07:03:35 Nodes: 1 Procs: 1 0 Jun20-2024 07:03:39 Nodes: 1 Procs: 1 Jun20-2024 07:03:41 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:03:46 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.35 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 07:03:33 Nodes: 1 Procs: 1 Jun20-2024 07:03:35 Nodes: 1 Procs: 1 0 Jun20-2024 07:03:39 Nodes: 1 Procs: 1 Jun20-2024 07:03:41 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:03:46 Nodes: 1 Procs: 1 Jun20-2024 07:03:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:03:50 Arsenic (TZP, 3p frozen) c3-5 c3-5 c3-5 c3-5 c3-5 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.66 0.09 3.61 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 07:03:33 Nodes: 1 Procs: 1 Jun20-2024 07:03:35 Nodes: 1 Procs: 1 0 Jun20-2024 07:03:39 Nodes: 1 Procs: 1 Jun20-2024 07:03:41 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:03:46 Nodes: 1 Procs: 1 Jun20-2024 07:03:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 07:03:50 Nodes: 1 Procs: 1 Jun20-2024 07:03:53 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:03:59 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2906.517100000006 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-0.976552 -0.977715 Rho 0.3190174E+03 3,-3 15 3 -3 0.991281 0.990595 -0.987451 Rho 0.3190131E+03 3,-3 16 3 -3 -0.959023 0.987893 0.987363 Rho 0.3190280E+03 3,-3 17 3 -3 -3.035989 -1.154004 1.122308 Rho 0.3188633E+03 3,-3 18 3 -3 2.962098 -1.176018 -1.176918 Rho 0.3188494E+03 3,-3 19 3 -3 -3.039776 1.123422 -1.156816 Rho 0.3188652E+03 3,-3 20 3 -3 3.076644 1.172549 1.171430 Rho 0.3188139E+03 3,-3 21 3 -3 1.120726 -1.161981 -3.019374 Rho 0.3188745E+03 3,-3 22 3 -3 1.197982 1.215931 3.166426 Rho 0.3188068E+03 3,-3 23 3 -3 -1.201512 1.113895 -3.045424 Rho 0.3188832E+03 3,-3 24 3 -3 -1.236891 -1.169369 3.035626 Rho 0.3188480E+03 3,-3 25 3 -3 -1.239703 3.032030 -1.171759 Rho 0.3188459E+03 3,-3 26 3 -3 -1.203243 -3.043836 1.119923 Rho 0.3188819E+03 3,-3 27 3 -3 1.196953 3.166749 1.215087 Rho 0.3188069E+03 3,-3 28 3 -3 1.117391 -3.015905 -1.158229 Rho 0.3188734E+03 3,-3 29 3 -3 3.476095 -1.592064 1.468913 Rho 0.3189421E+03 3,-3 30 3 -3 -3.419137 -1.528744 -1.526918 Rho 0.3189350E+03 3,-3 31 3 -3 3.477037 1.470250 -1.592897 Rho 0.3189426E+03 3,-3 32 3 -3 -3.444567 1.473092 1.470421 Rho 0.3189234E+03 3,-3 33 3 -3 1.555114 -1.574082 3.485168 Rho 0.3188686E+03 3,-3 34 3 -3 1.547174 1.449154 -3.498841 Rho 0.3189081E+03 3,-3 35 3 -3 -1.614805 1.499796 3.444714 Rho 0.3189330E+03 3,-3 36 3 -3 -1.538377 -1.536297 -3.420179 Rho 0.3189306E+03 3,-3 37 3 -3 -1.537764 -3.422592 -1.531251 Rho 0.3189301E+03 3,-3 38 3 -3 -1.613376 3.449523 1.497167 Rho 0.3189346E+03 3,-3 39 3 -3 1.548368 -3.498951 1.450873 Rho 0.3189070E+03 3,-3 40 3 -3 1.555145 3.484752 -1.574837 Rho 0.3188687E+03 3,-3 41 3 -3 -0.216264 -3.866427 3.800837 Rho 0.3191241E+03 3,-3 42 3 -3 0.209501 -3.760034 -3.757568 Rho 0.3192639E+03 3,-3 43 3 -3 -0.218976 3.799199 -3.864560 Rho 0.3191240E+03 3,-3 44 3 -3 0.128915 3.863841 3.863906 Rho 0.3191179E+03 3,-3 45 3 -3 3.764868 -3.775183 -0.290684 Rho 0.3192560E+03 3,-3 46 3 -3 3.894777 3.828279 0.191182 Rho 0.3191060E+03 3,-3 47 3 -3 -3.833077 3.730337 -0.221371 Rho 0.3192581E+03 3,-3 48 3 -3 -3.793199 -3.761519 0.201847 Rho 0.3192549E+03 3,-3 49 3 -3 -3.793468 0.199609 -3.760996 Rho 0.3192546E+03 3,-3 50 3 -3 -3.832133 -0.223133 3.727590 Rho 0.3192578E+03 3,-3 51 3 -3 3.895385 0.190493 3.827005 Rho 0.3191061E+03 3,-3 52 3 -3 3.766752 -0.287935 -3.775761 Rho 0.3192563E+03 3,-3 53 3 -3 0.025615 0.004056 0.004125 Rho 0.4276084E+05 3,-3 54 3 +1 -2.175878 -1.232081 -1.229185 Rho 0.2825821E-01 |GRAD(Rho)| 0.2415678E-16 GRAD(Rho)x 0.1935073E-16 GRAD(Rho)y 0.1080997E-16 GRAD(Rho)z -0.9604347E-17 Laplacian 0.1157900E+00 (-1/4)Del**2(Rho)) -0.2894750E-01 Diamond 0.1972980E-01 Metallicity 0.1560211E+01 Ellipticity -0.9365858E+01 Gb(Abramov) 0.2682570E-01 Vb(Abramov) -0.2470390E-01 Hb(Abramov) 0.2121800E-02 Ex_ueg -0.6356889E-02 Ec_ueg -0.1254119E-02 Delta_ex -0.7608245E-02 Delta_ec 0.2261673E-02 Delta_et -0.2052379E-01 Pxc 0.5068810E+01 Qxc -0.3363991E+01 3,+1 55 3 -1 -2.974271 -0.044389 -0.046288 Rho 0.5895961E-02 |GRAD(Rho)| 0.3714377E-17 GRAD(Rho)x 0.3078586E-18 GRAD(Rho)y -0.3595153E-17 GRAD(Rho)z -0.8813030E-18 Laplacian 0.2357816E-01 (-1/4)Del**2(Rho)) -0.5894540E-02 Diamond 0.7898212E-03 Metallicity 0.5623770E+00 Ellipticity 0.2350351E+01 Gb(Abramov) 0.4482186E-02 Vb(Abramov) -0.3069831E-02 Hb(Abramov) 0.1412354E-02 Ex_ueg -0.7866674E-03 Ec_ueg -0.1856711E-03 Delta_ex -0.1287792E-02 Delta_ec 0.8802041E-03 Delta_et -0.4967922E-02 Pxc 0.4236887E+01 Qxc -0.1463060E+01 3,-1 56 3 -1 -1.723452 1.749188 0.541581 Rho 0.4408526E-01 |GRAD(Rho)| 0.3989938E-16 GRAD(Rho)x 0.1730954E-16 GRAD(Rho)y 0.3119199E-16 GRAD(Rho)z 0.1787176E-16 Laplacian 0.1768475E+00 (-1/4)Del**2(Rho)) -0.4421186E-01 Diamond 0.7461093E-01 Metallicity 0.2143729E+01 Ellipticity 0.1481911E-01 Gb(Abramov) 0.4527095E-01 Vb(Abramov) -0.4633005E-01 Hb(Abramov) -0.1059091E-02 Ex_ueg -0.1150208E-01 Ec_ueg -0.2090636E-02 Delta_ex -0.1405692E-01 Delta_ec 0.5189067E-02 Delta_et -0.5291572E-01 Pxc 0.5501711E+01 Qxc -0.2708950E+01 3,-1 57 3 +3 -1.959402 1.960964 1.958120 Rho 0.1181384E-01 |GRAD(Rho)| 0.9042619E-17 GRAD(Rho)x -0.4975154E-17 GRAD(Rho)y -0.6921436E-17 GRAD(Rho)z 0.3018363E-17 Laplacian 0.5367175E-01 (-1/4)Del**2(Rho)) -0.1341794E-01 Diamond 0.1373336E-02 Metallicity 0.7867782E+00 Ellipticity -0.9047100E+00 Gb(Abramov) 0.1070478E-01 Vb(Abramov) -0.7991627E-02 Hb(Abramov) 0.2713156E-02 Ex_ueg -0.1987191E-02 Ec_ueg -0.4509819E-03 Delta_ex -0.2411459E-02 Delta_ec 0.3112005E-03 Delta_et -0.2623230E-02 Pxc 0.4406366E+01 Qxc -0.7748891E+01 3,+3 58 3 +1 -0.521211 -1.685506 0.550238 Rho 0.8301571E-02 |GRAD(Rho)| 0.7263983E-17 GRAD(Rho)x -0.1114518E-17 GRAD(Rho)y -0.5503722E-17 GRAD(Rho)z -0.4607856E-17 Laplacian 0.3185543E-01 (-1/4)Del**2(Rho)) -0.7963857E-02 Diamond 0.8167869E-03 Metallicity 0.7362583E+00 Ellipticity -0.1455805E+01 Gb(Abramov) 0.6286481E-02 Vb(Abramov) -0.4609104E-02 Hb(Abramov) 0.1677376E-02 Ex_ueg -0.1241458E-02 Ec_ueg -0.2916474E-03 Delta_ex -0.1444401E-02 Delta_ec 0.4519227E-03 Delta_et -0.3057907E-02 Pxc 0.4256709E+01 Qxc -0.3196124E+01 3,+1 59 3 +1 -1.672749 0.541000 -0.517934 Rho 0.8380116E-02 |GRAD(Rho)| 0.1305984E-16 GRAD(Rho)x -0.8025829E-17 GRAD(Rho)y 0.9984212E-17 GRAD(Rho)z 0.2541832E-17 Laplacian 0.3256187E-01 (-1/4)Del**2(Rho)) -0.8140468E-02 Diamond 0.8404720E-03 Metallicity 0.7316788E+00 Ellipticity -0.1438223E+01 Gb(Abramov) 0.6419680E-02 Vb(Abramov) -0.4698892E-02 Hb(Abramov) 0.1720788E-02 Ex_ueg -0.1257144E-02 Ec_ueg -0.2951527E-03 Delta_ex -0.1477513E-02 Delta_ec 0.4576088E-03 Delta_et -0.3107441E-02 Pxc 0.4259302E+01 Qxc -0.3228769E+01 3,+1 60 3 +1 -0.538337 1.687341 -0.565584 Rho 0.8069406E-02 |GRAD(Rho)| 0.4469850E-14 GRAD(Rho)x 0.1270467E-14 GRAD(Rho)y -0.3102023E-14 GRAD(Rho)z 0.2956844E-14 Laplacian 0.3072796E-01 (-1/4)Del**2(Rho)) -0.7681990E-02 Diamond 0.7603391E-03 Metallicity 0.7280291E+00 Ellipticity -0.1456152E+01 Gb(Abramov) 0.6053445E-02 Vb(Abramov) -0.4424901E-02 Hb(Abramov) 0.1628545E-02 Ex_ueg -0.1195383E-02 Ec_ueg -0.2813028E-03 Delta_ex -0.1384504E-02 Delta_ec 0.4379536E-03 Delta_et -0.2940074E-02 Pxc 0.4249454E+01 Qxc -0.3161303E+01 3,+1 61 3 -1 -3.246329 3.202855 -0.064281 Rho 0.2363767E+00 |GRAD(Rho)| 0.1143231E-14 GRAD(Rho)x 0.7919013E-15 GRAD(Rho)y -0.8088148E-15 GRAD(Rho)z 0.1602722E-15 Laplacian 0.8649905E+00 (-1/4)Del**2(Rho)) -0.2162476E+00 Diamond 0.3001398E+01 Metallicity 0.7199071E+01 Ellipticity 0.1738348E-02 Gb(Abramov) 0.4036287E+00 Vb(Abramov) -0.5910098E+00 Hb(Abramov) -0.1873811E+00 Ex_ueg -0.1079422E+00 Ec_ueg -0.1418901E-01 Delta_ex -0.1040817E+00 Delta_ec 0.1917187E-01 Delta_et -0.2653204E+00 Pxc 0.7607454E+01 Qxc -0.5428878E+01 3,-1 62 3 +3 -1.104188 1.126123 -1.119754 Rho 0.4905934E-02 |GRAD(Rho)| 0.1087487E-16 GRAD(Rho)x -0.2106700E-17 GRAD(Rho)y 0.3737469E-17 GRAD(Rho)z -0.9992799E-17 Laplacian 0.1877082E-01 (-1/4)Del**2(Rho)) -0.4692704E-02 Diamond 0.1284564E-03 Metallicity 0.5199955E+00 Ellipticity -0.1344006E+00 Gb(Abramov) 0.3535167E-02 Vb(Abramov) -0.2377630E-02 Hb(Abramov) 0.1157537E-02 Ex_ueg -0.6156691E-03 Ec_ueg -0.1428670E-03 Delta_ex -0.6458144E-03 Delta_ec 0.8394431E-04 Delta_et -0.6587498E-03 Pxc 0.4309386E+01 Qxc -0.7693367E+01 3,+3 63 3 +1 -2.967394 -0.191237 -0.192772 Rho 0.5862297E-02 |GRAD(Rho)| 0.1303105E-16 GRAD(Rho)x 0.5258648E-17 GRAD(Rho)y 0.1791951E-17 GRAD(Rho)z 0.1178744E-16 Laplacian 0.2427012E-01 (-1/4)Del**2(Rho)) -0.6067531E-02 Diamond 0.6669267E-03 Metallicity 0.5411540E+00 Ellipticity -0.2812799E+01 Gb(Abramov) 0.4592265E-02 Vb(Abramov) -0.3117000E-02 Hb(Abramov) 0.1475266E-02 Ex_ueg -0.7806843E-03 Ec_ueg -0.1842076E-03 Delta_ex -0.1219145E-02 Delta_ec 0.7185139E-03 Delta_et -0.4110889E-02 Pxc 0.4238067E+01 Qxc -0.1696760E+01 3,+1 64 3 +1 -2.991263 0.177001 0.174747 Rho 0.5793081E-02 |GRAD(Rho)| 0.4465744E-16 GRAD(Rho)x 0.5787147E-17 GRAD(Rho)y 0.4420244E-16 GRAD(Rho)z -0.2634399E-17 Laplacian 0.2398672E-01 (-1/4)Del**2(Rho)) -0.5996679E-02 Diamond 0.6108006E-03 Metallicity 0.5368154E+00 Ellipticity -0.2162220E+01 Gb(Abramov) 0.4534305E-02 Vb(Abramov) -0.3071930E-02 Hb(Abramov) 0.1462375E-02 Ex_ueg -0.7684185E-03 Ec_ueg -0.1812003E-03 Delta_ex -0.1173122E-02 Delta_ec 0.6585137E-03 Delta_et -0.3776094E-02 Pxc 0.4240712E+01 Qxc -0.1781469E+01 3,+1 65 3 -1 -3.009883 0.834519 1.979468 Rho 0.1346878E+00 |GRAD(Rho)| 0.3683579E-15 GRAD(Rho)x -0.6794559E-16 GRAD(Rho)y -0.3140934E-15 GRAD(Rho)z 0.1800453E-15 Laplacian 0.5289995E+00 (-1/4)Del**2(Rho)) -0.1322499E+00 Diamond 0.9427704E+00 Metallicity 0.4610043E+01 Ellipticity 0.3249653E-01 Gb(Abramov) 0.1897795E+00 Vb(Abramov) -0.2473092E+00 Hb(Abramov) -0.5752965E-01 Ex_ueg -0.5099052E-01 Ec_ueg -0.7470641E-02 Delta_ex -0.5534559E-01 Delta_ec 0.1379705E-01 Delta_et -0.1807933E+00 Pxc 0.6825454E+01 Qxc -0.4011406E+01 3,-1 66 3 -1 -3.244895 -0.067166 3.200254 Rho 0.2363268E+00 |GRAD(Rho)| 0.5995924E-15 GRAD(Rho)x 0.4665322E-15 GRAD(Rho)y 0.1072818E-15 GRAD(Rho)z -0.3610393E-15 Laplacian 0.8648470E+00 (-1/4)Del**2(Rho)) -0.2162117E+00 Diamond 0.3000116E+01 Metallicity 0.7197731E+01 Ellipticity 0.1737312E-02 Gb(Abramov) 0.4035135E+00 Vb(Abramov) -0.5908152E+00 Hb(Abramov) -0.1873017E+00 Ex_ueg -0.1079118E+00 Ec_ueg -0.1418557E-01 Delta_ex -0.1040586E+00 Delta_ec 0.1916967E-01 Delta_et -0.2652870E+00 Pxc 0.7607157E+01 Qxc -0.5428295E+01 3,-1 67 3 -1 -3.225306 0.067201 -3.206151 Rho 0.2357036E+00 |GRAD(Rho)| 0.3540750E-14 GRAD(Rho)x 0.2959872E-14 GRAD(Rho)y 0.1415277E-14 GRAD(Rho)z 0.1331563E-14 Laplacian 0.8643800E+00 (-1/4)Del**2(Rho)) -0.2160950E+00 Diamond 0.2987398E+01 Metallicity 0.7169996E+01 Ellipticity 0.2897651E-02 Gb(Abramov) 0.4022967E+00 Vb(Abramov) -0.5884985E+00 Hb(Abramov) -0.1862017E+00 Ex_ueg -0.1075326E+00 Ec_ueg -0.1414262E-01 Delta_ex -0.1039222E+00 Delta_ec 0.1915879E-01 Delta_et -0.2650432E+00 Pxc 0.7603440E+01 Qxc -0.5424257E+01 3,-1 68 3 +1 -1.279885 -2.177129 -1.187029 Rho 0.2825219E-01 |GRAD(Rho)| 0.2222925E-15 GRAD(Rho)x 0.1797830E-15 GRAD(Rho)y 0.5367787E-16 GRAD(Rho)z -0.1192088E-15 Laplacian 0.1142269E+00 (-1/4)Del**2(Rho)) -0.2855673E-01 Diamond 0.1890633E-01 Metallicity 0.1580999E+01 Ellipticity -0.6843693E+01 Gb(Abramov) 0.2656252E-01 Vb(Abramov) -0.2456830E-01 Hb(Abramov) 0.1994217E-02 Ex_ueg -0.6355084E-02 Ec_ueg -0.1253811E-02 Delta_ex -0.7454241E-02 Delta_ec 0.2140302E-02 Delta_et -0.1943238E-01 Pxc 0.5068615E+01 Qxc -0.3482798E+01 3,+1 69 3 -1 -3.224268 -3.207999 0.067534 Rho 0.2357680E+00 |GRAD(Rho)| 0.1650069E-14 GRAD(Rho)x -0.1205091E-14 GRAD(Rho)y -0.1084365E-14 GRAD(Rho)z 0.3076288E-15 Laplacian 0.8644307E+00 (-1/4)Del**2(Rho)) -0.2161077E+00 Diamond 0.2988677E+01 Metallicity 0.7172840E+01 Ellipticity 0.2916581E-02 Gb(Abramov) 0.4024227E+00 Vb(Abramov) -0.5887378E+00 Hb(Abramov) -0.1863151E+00 Ex_ueg -0.1075718E+00 Ec_ueg -0.1414706E-01 Delta_ex -0.1039364E+00 Delta_ec 0.1915956E-01 Delta_et -0.2650618E+00 Pxc 0.7603824E+01 Qxc -0.5424778E+01 3,-1 70 3 -1 -2.798699 0.559538 -1.805742 Rho 0.1515907E+00 |GRAD(Rho)| 0.4583752E-13 GRAD(Rho)x 0.1215061E-13 GRAD(Rho)y 0.4407511E-13 GRAD(Rho)z -0.3290228E-14 Laplacian 0.6282498E+00 (-1/4)Del**2(Rho)) -0.1570625E+00 Diamond 0.1283711E+01 Metallicity 0.4727174E+01 Ellipticity 0.1545123E-01 Gb(Abramov) 0.2284519E+00 Vb(Abramov) -0.2998413E+00 Hb(Abramov) -0.7138943E-01 Ex_ueg -0.5969643E-01 Ec_ueg -0.8545417E-02 Delta_ex -0.6758771E-01 Delta_ec 0.1579893E-01 Delta_et -0.2103888E+00 Pxc 0.6985783E+01 Qxc -0.4277993E+01 3,-1 71 3 +1 -0.519170 0.549183 -1.686441 Rho 0.8329944E-02 |GRAD(Rho)| 0.2392125E-12 GRAD(Rho)x -0.1814109E-12 GRAD(Rho)y 0.7295090E-13 GRAD(Rho)z 0.1378075E-12 Laplacian 0.3199970E-01 (-1/4)Del**2(Rho)) -0.7999926E-02 Diamond 0.8232263E-03 Metallicity 0.7371185E+00 Ellipticity -0.1454451E+01 Gb(Abramov) 0.6316100E-02 Vb(Abramov) -0.4632273E-02 Hb(Abramov) 0.1683826E-02 Ex_ueg -0.1247119E-02 Ec_ueg -0.2929133E-03 Delta_ex -0.1451682E-02 Delta_ec 0.4530613E-03 Delta_et -0.3069053E-02 Pxc 0.4257638E+01 Qxc -0.3204162E+01 3,+1 72 3 +3 -2.286013 0.022206 0.019047 Rho 0.4678816E-02 |GRAD(Rho)| 0.1345195E-15 GRAD(Rho)x -0.1047956E-15 GRAD(Rho)y -0.6466612E-16 GRAD(Rho)z -0.5414481E-16 Laplacian 0.1920577E-01 (-1/4)Del**2(Rho)) -0.4801443E-02 Diamond 0.1593104E-03 Metallicity 0.4696143E+00 Ellipticity -0.3492146E+00 Gb(Abramov) 0.3576766E-02 Vb(Abramov) -0.2352090E-02 Hb(Abramov) 0.1224677E-02 Ex_ueg -0.5779625E-03 Ec_ueg -0.1331172E-03 Delta_ex -0.6888314E-03 Delta_ec 0.1513368E-03 Delta_et -0.9902167E-03 Pxc 0.4341756E+01 Qxc -0.4551644E+01 3,+3 73 3 +1 -2.174527 1.211690 1.222099 Rho 0.2747541E-01 |GRAD(Rho)| 0.9015631E-13 GRAD(Rho)x -0.8865942E-13 GRAD(Rho)y 0.3608983E-14 GRAD(Rho)z -0.1595750E-13 Laplacian 0.1121066E+00 (-1/4)Del**2(Rho)) -0.2802665E-01 Diamond 0.1837019E-01 Metallicity 0.1537762E+01 Ellipticity -0.8618890E+01 Gb(Abramov) 0.2586748E-01 Vb(Abramov) -0.2370831E-01 Hb(Abramov) 0.2159166E-02 Ex_ueg -0.6123184E-02 Ec_ueg -0.1214137E-02 Delta_ex -0.7311138E-02 Delta_ec 0.2188213E-02 Delta_et -0.1971724E-01 Pxc 0.5043240E+01 Qxc -0.3341145E+01 3,+1 74 3 +1 -1.780838 -1.775501 1.752866 Rho 0.1187507E-01 |GRAD(Rho)| 0.2773785E-15 GRAD(Rho)x 0.5939463E-16 GRAD(Rho)y -0.2148037E-15 GRAD(Rho)z -0.1651377E-15 Laplacian 0.5802535E-01 (-1/4)Del**2(Rho)) -0.1450634E-01 Diamond 0.2249758E-02 Metallicity 0.7340446E+00 Ellipticity -0.1261637E+01 Gb(Abramov) 0.1144561E-01 Vb(Abramov) -0.8384879E-02 Hb(Abramov) 0.3060730E-02 Ex_ueg -0.2000937E-02 Ec_ueg -0.4538049E-03 Delta_ex -0.2831976E-02 Delta_ec 0.7310903E-03 Delta_et -0.5484998E-02 Pxc 0.4409244E+01 Qxc -0.3873634E+01 3,+1 75 3 -1 -2.796820 1.806082 -0.557284 Rho 0.1213392E+00 |GRAD(Rho)| 0.1415641E-12 GRAD(Rho)x 0.2173310E-13 GRAD(Rho)y 0.1081368E-12 GRAD(Rho)z 0.8873832E-13 Laplacian 0.5056466E+00 (-1/4)Del**2(Rho)) -0.1264116E+00 Diamond 0.7938104E+00 Metallicity 0.4052919E+01 Ellipticity 0.9143770E-02 Gb(Abramov) 0.1696638E+00 Vb(Abramov) -0.2129159E+00 Hb(Abramov) -0.4325214E-01 Ex_ueg -0.4436630E-01 Ec_ueg -0.6634935E-02 Delta_ex -0.5157640E-01 Delta_ec 0.1349285E-01 Delta_et -0.1737433E+00 Pxc 0.6686772E+01 Qxc -0.3822497E+01 3,-1 76 3 +1 -1.782229 1.749816 -1.777956 Rho 0.1187345E-01 |GRAD(Rho)| 0.2004871E-16 GRAD(Rho)x -0.1462734E-16 GRAD(Rho)y 0.1433475E-17 GRAD(Rho)z 0.1363586E-16 Laplacian 0.5797052E-01 (-1/4)Del**2(Rho)) -0.1449263E-01 Diamond 0.2247142E-02 Metallicity 0.7345711E+00 Ellipticity -0.1262683E+01 Gb(Abramov) 0.1143607E-01 Vb(Abramov) -0.8379500E-02 Hb(Abramov) 0.3056566E-02 Ex_ueg -0.2000571E-02 Ec_ueg -0.4537300E-03 Delta_ex -0.2829178E-02 Delta_ec 0.7303642E-03 Delta_et -0.5479397E-02 Pxc 0.4409168E+01 Qxc -0.3873654E+01 3,+1 77 3 -1 -3.011092 1.981711 0.835372 Rho 0.1366547E+00 |GRAD(Rho)| 0.6331258E-13 GRAD(Rho)x 0.2307711E-13 GRAD(Rho)y 0.3881987E-13 GRAD(Rho)z -0.4437282E-13 Laplacian 0.5369802E+00 (-1/4)Del**2(Rho)) -0.1342450E+00 Diamond 0.9737493E+00 Metallicity 0.4652603E+01 Ellipticity 0.3396708E-01 Gb(Abramov) 0.1935949E+00 Vb(Abramov) -0.2529447E+00 Hb(Abramov) -0.5934981E-01 Ex_ueg -0.5198579E-01 Ec_ueg -0.7594778E-02 Delta_ex -0.5637771E-01 Delta_ec 0.1395508E-01 Delta_et -0.1832757E+00 Pxc 0.6844939E+01 Qxc -0.4039941E+01 3,-1 78 3 -1 -2.793945 -0.558121 1.804026 Rho 0.1231324E+00 |GRAD(Rho)| 0.2136426E-14 GRAD(Rho)x 0.2565392E-15 GRAD(Rho)y 0.1411292E-14 GRAD(Rho)z 0.1583274E-14 Laplacian 0.5136335E+00 (-1/4)Del**2(Rho)) -0.1284084E+00 Diamond 0.8205467E+00 Metallicity 0.4088652E+01 Ellipticity 0.8819978E-02 Gb(Abramov) 0.1731084E+00 Vb(Abramov) -0.2178085E+00 Hb(Abramov) -0.4470006E-01 Ex_ueg -0.4524264E-01 Ec_ueg -0.6746499E-02 Delta_ex -0.5257323E-01 Delta_ec 0.1365538E-01 Delta_et -0.1762729E+00 Pxc 0.6706092E+01 Qxc -0.3850000E+01 3,-1 79 3 +1 -1.290855 -1.177576 -2.176618 Rho 0.2830585E-01 |GRAD(Rho)| 0.6466243E-11 GRAD(Rho)x -0.4049685E-11 GRAD(Rho)y 0.4792591E-11 GRAD(Rho)z 0.1563145E-11 Laplacian 0.1143403E+00 (-1/4)Del**2(Rho)) -0.2858508E-01 Diamond 0.1888657E-01 Metallicity 0.1584433E+01 Ellipticity -0.6554241E+01 Gb(Abramov) 0.2660525E-01 Vb(Abramov) -0.2462542E-01 Hb(Abramov) 0.1979834E-02 Ex_ueg -0.6371181E-02 Ec_ueg -0.1256557E-02 Delta_ex -0.7457299E-02 Delta_ec 0.2127972E-02 Delta_et -0.1933134E-01 Pxc 0.5070350E+01 Qxc -0.3504415E+01 3,+1 80 3 -1 -2.997629 -0.852358 -1.998328 Rho 0.1343472E+00 |GRAD(Rho)| 0.2516457E-09 GRAD(Rho)x 0.1057640E-09 GRAD(Rho)y 0.1846948E-09 GRAD(Rho)z -0.1342660E-09 Laplacian 0.5307270E+00 (-1/4)Del**2(Rho)) -0.1326817E+00 Diamond 0.9408880E+00 Metallicity 0.4575685E+01 Ellipticity 0.3385100E-01 Gb(Abramov) 0.1896395E+00 Vb(Abramov) -0.2465972E+00 Hb(Abramov) -0.5695773E-01 Ex_ueg -0.5081864E-01 Ec_ueg -0.7449167E-02 Delta_ex -0.5546820E-01 Delta_ec 0.1380755E-01 Delta_et -0.1807746E+00 Pxc 0.6822056E+01 Qxc -0.4017238E+01 3,-1 81 3 -1 -1.733238 -0.522666 -1.731191 Rho 0.4579107E-01 |GRAD(Rho)| 0.6190213E-16 GRAD(Rho)x 0.3161000E-16 GRAD(Rho)y -0.1125707E-17 GRAD(Rho)z -0.5321103E-16 Laplacian 0.1848027E+00 (-1/4)Del**2(Rho)) -0.4620068E-01 Diamond 0.8241628E-01 Metallicity 0.2185443E+01 Ellipticity 0.1308586E-01 Gb(Abramov) 0.4762861E-01 Vb(Abramov) -0.4905654E-01 Hb(Abramov) -0.1427931E-02 Ex_ueg -0.1209928E-01 Ec_ueg -0.2183576E-02 Delta_ex -0.1484514E-01 Delta_ec 0.5448544E-02 Delta_et -0.5612783E-01 Pxc 0.5541039E+01 Qxc -0.2724606E+01 3,-1 82 3 -1 -1.722390 0.539804 1.747782 Rho 0.4418620E-01 |GRAD(Rho)| 0.2070932E-15 GRAD(Rho)x -0.1710757E-15 GRAD(Rho)y -0.6667166E-16 GRAD(Rho)z 0.9578926E-16 Laplacian 0.1772181E+00 (-1/4)Del**2(Rho)) -0.4430452E-01 Diamond 0.7500114E-01 Metallicity 0.2147417E+01 Ellipticity 0.1543858E-01 Gb(Abramov) 0.4539306E-01 Vb(Abramov) -0.4648159E-01 Hb(Abramov) -0.1088536E-02 Ex_ueg -0.1153721E-01 Ec_ueg -0.2096123E-02 Delta_ex -0.1409450E-01 Delta_ec 0.5199942E-02 Delta_et -0.5305877E-01 Pxc 0.5504070E+01 Qxc -0.2710511E+01 3,-1 83 3 +1 1.648923 -0.545164 -0.545238 Rho 0.9035356E-02 |GRAD(Rho)| 0.1051585E-12 GRAD(Rho)x -0.7535098E-13 GRAD(Rho)y 0.6877519E-13 GRAD(Rho)z 0.2550506E-13 Laplacian 0.3507355E-01 (-1/4)Del**2(Rho)) -0.8768388E-02 Diamond 0.1028100E-02 Metallicity 0.7700912E+00 Ellipticity -0.1501587E+01 Gb(Abramov) 0.6971002E-02 Vb(Abramov) -0.5173615E-02 Hb(Abramov) 0.1797386E-02 Ex_ueg -0.1389885E-02 Ec_ueg -0.3245009E-03 Delta_ex -0.1632673E-02 Delta_ec 0.5117075E-03 Delta_et -0.3527591E-02 Pxc 0.4283145E+01 Qxc -0.3190637E+01 3,+1 84 3 +1 -2.018249 2.011053 2.008128 Rho 0.1182348E-01 |GRAD(Rho)| 0.1000936E-13 GRAD(Rho)x 0.5698232E-14 GRAD(Rho)y -0.5815887E-14 GRAD(Rho)z -0.5821760E-14 Laplacian 0.5401595E-01 (-1/4)Del**2(Rho)) -0.1350399E-01 Diamond 0.1598191E-02 Metallicity 0.7828290E+00 Ellipticity -0.1075736E+01 Gb(Abramov) 0.1076454E-01 Vb(Abramov) -0.8025100E-02 Hb(Abramov) 0.2739444E-02 Ex_ueg -0.1989355E-02 Ec_ueg -0.4514265E-03 Delta_ex -0.2490708E-02 Delta_ec 0.4260625E-03 Delta_et -0.3396225E-02 Pxc 0.4406819E+01 Qxc -0.5845875E+01 3,+1 85 3 -1 -2.795672 -1.806101 0.557729 Rho 0.1498265E+00 |GRAD(Rho)| 0.7946888E-15 GRAD(Rho)x -0.2469948E-16 GRAD(Rho)y 0.4538470E-15 GRAD(Rho)z 0.6518766E-15 Laplacian 0.6206494E+00 (-1/4)Del**2(Rho)) -0.1551624E+00 Diamond 0.1250915E+01 Metallicity 0.4692610E+01 Ellipticity 0.1477134E-01 Gb(Abramov) 0.2247943E+00 Vb(Abramov) -0.2944262E+00 Hb(Abramov) -0.6963194E-01 Ex_ueg -0.5877191E-01 Ec_ueg -0.8432407E-02 Delta_ex -0.6658222E-01 Delta_ec 0.1566129E-01 Delta_et -0.2082406E+00 Pxc 0.6969767E+01 Qxc -0.4251389E+01 3,-1 86 3 +1 -2.018313 -2.014076 -2.011902 Rho 0.1257401E-01 |GRAD(Rho)| 0.6264646E-14 GRAD(Rho)x 0.3934279E-14 GRAD(Rho)y 0.3618619E-14 GRAD(Rho)z -0.3266929E-14 Laplacian 0.5998913E-01 (-1/4)Del**2(Rho)) -0.1499728E-01 Diamond 0.1953086E-02 Metallicity 0.7810229E+00 Ellipticity -0.1078347E+01 Gb(Abramov) 0.1195039E-01 Vb(Abramov) -0.8903501E-02 Hb(Abramov) 0.3046891E-02 Ex_ueg -0.2159485E-02 Ec_ueg -0.4861319E-03 Delta_ex -0.2819785E-02 Delta_ec 0.4830287E-03 Delta_et -0.3884818E-02 Pxc 0.4442180E+01 Qxc -0.5837718E+01 3,+1 87 3 +3 -1.949561 -1.944931 -1.942985 Rho 0.1255155E-01 |GRAD(Rho)| 0.2251552E-16 GRAD(Rho)x -0.5909898E-17 GRAD(Rho)y 0.1224195E-16 GRAD(Rho)z -0.1794872E-16 Laplacian 0.5944458E-01 (-1/4)Del**2(Rho)) -0.1486115E-01 Diamond 0.1607492E-02 Metallicity 0.7858319E+00 Ellipticity -0.8957671E+00 Gb(Abramov) 0.1185382E-01 Vb(Abramov) -0.8846503E-02 Hb(Abramov) 0.3007321E-02 Ex_ueg -0.2154343E-02 Ec_ueg -0.4850899E-03 Delta_ex -0.2704856E-02 Delta_ec 0.3216479E-03 Delta_et -0.2775693E-02 Pxc 0.4441121E+01 Qxc -0.8409369E+01 3,+3 88 3 +1 -1.670450 -0.517747 0.538810 Rho 0.8427582E-02 |GRAD(Rho)| 0.3370009E-14 GRAD(Rho)x -0.2686468E-14 GRAD(Rho)y 0.2190181E-16 GRAD(Rho)z 0.2034543E-14 Laplacian 0.3275893E-01 (-1/4)Del**2(Rho)) -0.8189732E-02 Diamond 0.8516837E-03 Metallicity 0.7341562E+00 Ellipticity -0.1439555E+01 Gb(Abramov) 0.6461912E-02 Vb(Abramov) -0.4734091E-02 Hb(Abramov) 0.1727820E-02 Ex_ueg -0.1266647E-02 Ec_ueg -0.2972723E-03 Delta_ex -0.1488389E-02 Delta_ec 0.4600422E-03 Delta_et -0.3128786E-02 Pxc 0.4260900E+01 Qxc -0.3235332E+01 3,+1 89 3 -1 -2.006788 -0.856177 -2.996273 Rho 0.1331856E+00 |GRAD(Rho)| 0.1739634E-12 GRAD(Rho)x 0.9965114E-13 GRAD(Rho)y -0.3984484E-13 GRAD(Rho)z -0.1369135E-12 Laplacian 0.5194322E+00 (-1/4)Del**2(Rho)) -0.1298581E+00 Diamond 0.9143141E+00 Metallicity 0.4608008E+01 Ellipticity 0.3324000E-01 Gb(Abramov) 0.1863032E+00 Vb(Abramov) -0.2427484E+00 Hb(Abramov) -0.5644515E-01 Ex_ueg -0.5023367E-01 Ec_ueg -0.7376005E-02 Delta_ex -0.5420881E-01 Delta_ec 0.1360465E-01 Delta_et -0.1779962E+00 Pxc 0.6810417E+01 Qxc -0.3984580E+01 3,-1 90 3 -1 -0.876061 3.036632 2.013816 Rho 0.9703346E-01 |GRAD(Rho)| 0.1536768E-15 GRAD(Rho)x -0.1051947E-15 GRAD(Rho)y 0.1328486E-16 GRAD(Rho)z 0.1112391E-15 Laplacian 0.4042155E+00 (-1/4)Del**2(Rho)) -0.1010539E+00 Diamond 0.5018463E+00 Metallicity 0.3493034E+01 Ellipticity 0.6404353E-02 Gb(Abramov) 0.1262000E+00 Vb(Abramov) -0.1513461E+00 Hb(Abramov) -0.2514614E-01 Ex_ueg -0.3293167E-01 Ec_ueg -0.5145703E-02 Delta_ex -0.3942084E-01 Delta_ec 0.1188846E-01 Delta_et -0.1474195E+00 Pxc 0.6399839E+01 Qxc -0.3315893E+01 3,-1 91 3 -1 -2.042768 0.855353 3.027449 Rho 0.1666408E+00 |GRAD(Rho)| 0.6427745E-13 GRAD(Rho)x 0.1997474E-13 GRAD(Rho)y -0.6106256E-13 GRAD(Rho)z -0.1990758E-14 Laplacian 0.6474849E+00 (-1/4)Del**2(Rho)) -0.1618712E+00 Diamond 0.1484720E+01 Metallicity 0.5370552E+01 Ellipticity 0.3993515E-01 Gb(Abramov) 0.2528038E+00 Vb(Abramov) -0.3437363E+00 Hb(Abramov) -0.9093256E-01 Ex_ueg -0.6772672E-01 Ec_ueg -0.9517138E-02 Delta_ex -0.7133255E-01 Delta_ec 0.1593393E-01 Delta_et -0.2148571E+00 Pxc 0.7116291E+01 Qxc -0.4476771E+01 3,-1 92 3 -1 -1.828491 -2.804213 0.556742 Rho 0.1655325E+00 |GRAD(Rho)| 0.4282195E-13 GRAD(Rho)x -0.3657149E-13 GRAD(Rho)y -0.2209017E-13 GRAD(Rho)z -0.2875684E-14 Laplacian 0.6834508E+00 (-1/4)Del**2(Rho)) -0.1708627E+00 Diamond 0.1545539E+01 Metallicity 0.5031661E+01 Ellipticity 0.1098565E-01 Gb(Abramov) 0.2571957E+00 Vb(Abramov) -0.3435287E+00 Hb(Abramov) -0.8633298E-01 Ex_ueg -0.6712683E-01 Ec_ueg -0.9445123E-02 Delta_ex -0.7508983E-01 Delta_ec 0.1670524E-01 Delta_et -0.2246976E+00 Pxc 0.7107036E+01 Qxc -0.4494986E+01 3,-1 93 3 +3 0.028093 -0.000335 2.412946 Rho 0.3947877E-02 |GRAD(Rho)| 0.2870013E-15 GRAD(Rho)x -0.1714664E-15 GRAD(Rho)y -0.1871568E-15 GRAD(Rho)z 0.1339454E-15 Laplacian 0.1544922E-01 (-1/4)Del**2(Rho)) -0.3862306E-02 Diamond 0.1124731E-03 Metallicity 0.4398580E+00 Ellipticity -0.2149726E+00 Gb(Abramov) 0.2858015E-02 Vb(Abramov) -0.1853724E-02 Hb(Abramov) 0.1004291E-02 Ex_ueg -0.4608255E-03 Ec_ueg -0.1019205E-03 Delta_ex -0.5438536E-03 Delta_ec 0.1461059E-03 Delta_et -0.8792771E-03 Pxc 0.4521422E+01 Qxc -0.3722323E+01 3,+3 94 3 +1 0.542711 -0.522206 -1.668720 Rho 0.8794361E-02 |GRAD(Rho)| 0.1738024E-14 GRAD(Rho)x 0.6008157E-15 GRAD(Rho)y 0.1556999E-14 GRAD(Rho)z 0.4852846E-15 Laplacian 0.3416126E-01 (-1/4)Del**2(Rho)) -0.8540316E-02 Diamond 0.9414067E-03 Metallicity 0.7558223E+00 Ellipticity -0.1457975E+01 Gb(Abramov) 0.6769371E-02 Vb(Abramov) -0.4998426E-02 Hb(Abramov) 0.1770945E-02 Ex_ueg -0.1340677E-02 Ec_ueg -0.3136847E-03 Delta_ex -0.1569015E-02 Delta_ec 0.4798687E-03 Delta_et -0.3299444E-02 Pxc 0.4273963E+01 Qxc -0.3269675E+01 3,+1 95 3 -1 -1.732315 -1.732363 -0.524238 Rho 0.4564570E-01 |GRAD(Rho)| 0.7412162E-16 GRAD(Rho)x 0.4299963E-17 GRAD(Rho)y 0.6936522E-16 GRAD(Rho)z -0.2576801E-16 Laplacian 0.1841794E+00 (-1/4)Del**2(Rho)) -0.4604486E-01 Diamond 0.8174944E-01 Metallicity 0.2181249E+01 Ellipticity 0.1270231E-01 Gb(Abramov) 0.4743579E-01 Vb(Abramov) -0.4882672E-01 Hb(Abramov) -0.1390930E-02 Ex_ueg -0.1204809E-01 Ec_ueg -0.2175637E-02 Delta_ex -0.1478160E-01 Delta_ec 0.5427294E-02 Delta_et -0.5586139E-01 Pxc 0.5537731E+01 Qxc -0.2723567E+01 3,-1 96 3 +1 -1.012420 2.201366 1.466714 Rho 0.2472750E-01 |GRAD(Rho)| 0.3199503E-16 GRAD(Rho)x 0.1582647E-16 GRAD(Rho)y 0.1995120E-16 GRAD(Rho)z -0.1936890E-16 Laplacian 0.9410678E-01 (-1/4)Del**2(Rho)) -0.2352670E-01 Diamond 0.1028231E-01 Metallicity 0.1536831E+01 Ellipticity -0.2231457E+01 Gb(Abramov) 0.2171055E-01 Vb(Abramov) -0.1989441E-01 Hb(Abramov) 0.1816141E-02 Ex_ueg -0.5320577E-02 Ec_ueg -0.1075004E-02 Delta_ex -0.5632887E-02 Delta_ec 0.1234584E-02 Delta_et -0.1095553E-01 Pxc 0.4949355E+01 Qxc -0.4562579E+01 3,+1 97 3 -1 -1.850482 2.808116 -0.570460 Rho 0.1568887E+00 |GRAD(Rho)| 0.3949361E-15 GRAD(Rho)x -0.1936927E-15 GRAD(Rho)y -0.8828794E-16 GRAD(Rho)z -0.3326603E-15 Laplacian 0.6493867E+00 (-1/4)Del**2(Rho)) -0.1623467E+00 Diamond 0.1379148E+01 Metallicity 0.4842791E+01 Ellipticity 0.1170047E-01 Gb(Abramov) 0.2392663E+00 Vb(Abramov) -0.3161859E+00 Hb(Abramov) -0.7691961E-01 Ex_ueg -0.6249431E-01 Ec_ueg -0.8885936E-02 Delta_ex -0.7042283E-01 Delta_ec 0.1612913E-01 Delta_et -0.2156159E+00 Pxc 0.7032946E+01 Qxc -0.4366189E+01 3,-1 98 3 +1 -1.011441 1.468741 2.198915 Rho 0.2483454E-01 |GRAD(Rho)| 0.2395723E-14 GRAD(Rho)x -0.2072535E-14 GRAD(Rho)y 0.8897999E-15 GRAD(Rho)z -0.8076775E-15 Laplacian 0.9460221E-01 (-1/4)Del**2(Rho)) -0.2365055E-01 Diamond 0.1039665E-01 Metallicity 0.1539828E+01 Ellipticity -0.2233304E+01 Gb(Abramov) 0.2183666E-01 Vb(Abramov) -0.2002278E-01 Hb(Abramov) 0.1813888E-02 Ex_ueg -0.5351308E-02 Ec_ueg -0.1080387E-02 Delta_ex -0.5669114E-02 Delta_ec 0.1240735E-02 Delta_et -0.1102068E-01 Pxc 0.4953139E+01 Qxc -0.4569159E+01 3,+1 99 3 -1 -2.042896 3.031364 0.855995 Rho 0.1675491E+00 |GRAD(Rho)| 0.3079320E-13 GRAD(Rho)x -0.1354331E-13 GRAD(Rho)y -0.1095013E-13 GRAD(Rho)z -0.2539478E-13 Laplacian 0.6510658E+00 (-1/4)Del**2(Rho)) -0.1627665E+00 Diamond 0.1502796E+01 Metallicity 0.5389623E+01 Ellipticity 0.4035392E-01 Gb(Abramov) 0.2547193E+00 Vb(Abramov) -0.3466721E+00 Hb(Abramov) -0.9195282E-01 Ex_ueg -0.6821939E-01 Ec_ueg -0.9576216E-02 Delta_ex -0.7182514E-01 Delta_ec 0.1600098E-01 Delta_et -0.2159039E+00 Pxc 0.7123836E+01 Qxc -0.4488796E+01 3,-1 100 3 +3 1.112220 1.167926 1.167757 Rho 0.4714152E-02 |GRAD(Rho)| 0.3475092E-12 GRAD(Rho)x -0.3475002E-12 GRAD(Rho)y 0.1693921E-14 GRAD(Rho)z 0.1839745E-14 Laplacian 0.1658455E-01 (-1/4)Del**2(Rho)) -0.4146137E-02 Diamond 0.1019185E-03 Metallicity 0.5507006E+00 Ellipticity -0.2291516E+00 Gb(Abramov) 0.3144638E-02 Vb(Abramov) -0.2143139E-02 Hb(Abramov) 0.1001499E-02 Ex_ueg -0.5837898E-03 Ec_ueg -0.1346324E-03 Delta_ex -0.5587637E-03 Delta_ec 0.6421741E-04 Delta_et -0.5289378E-03 Pxc 0.4336176E+01 Qxc -0.8701124E+01 3,+3 101 3 +3 -1.100880 -1.120776 1.128015 Rho 0.4907704E-02 |GRAD(Rho)| 0.2807533E-17 GRAD(Rho)x -0.1925520E-17 GRAD(Rho)y -0.1987316E-17 GRAD(Rho)z -0.4745395E-18 Laplacian 0.1877728E-01 (-1/4)Del**2(Rho)) -0.4694320E-02 Diamond 0.1285024E-03 Metallicity 0.5201291E+00 Ellipticity -0.1228008E+00 Gb(Abramov) 0.3536489E-02 Vb(Abramov) -0.2378657E-02 Hb(Abramov) 0.1157831E-02 Ex_ueg -0.6159653E-03 Ec_ueg -0.1429431E-03 Delta_ex -0.6460426E-03 Delta_ec 0.8386827E-04 Delta_et -0.6584937E-03 Pxc 0.4309164E+01 Qxc -0.7703063E+01 3,+3 102 3 +1 -0.537085 -0.565128 1.688837 Rho 0.8059444E-02 |GRAD(Rho)| 0.1054266E-16 GRAD(Rho)x -0.4315840E-17 GRAD(Rho)y -0.2579162E-17 GRAD(Rho)z 0.9266560E-17 Laplacian 0.3068778E-01 (-1/4)Del**2(Rho)) -0.7671945E-02 Diamond 0.7582475E-03 Metallicity 0.7274831E+00 Ellipticity -0.1455970E+01 Gb(Abramov) 0.6044831E-02 Vb(Abramov) -0.4417718E-02 Hb(Abramov) 0.1627113E-02 Ex_ueg -0.1193416E-02 Ec_ueg -0.2808594E-03 Delta_ex -0.1382352E-02 Delta_ec 0.4375376E-03 Delta_et -0.2936214E-02 Pxc 0.4249158E+01 Qxc -0.3159391E+01 3,+1 103 3 +1 1.693782 0.553286 0.552920 Rho 0.8301572E-02 |GRAD(Rho)| 0.6828342E-17 GRAD(Rho)x 0.3886736E-17 GRAD(Rho)y 0.4249133E-17 GRAD(Rho)z 0.3669388E-17 Laplacian 0.3070681E-01 (-1/4)Del**2(Rho)) -0.7676701E-02 Diamond 0.7815543E-03 Metallicity 0.7637991E+00 Ellipticity -0.1491193E+01 Gb(Abramov) 0.6095044E-02 Vb(Abramov) -0.4513386E-02 Hb(Abramov) 0.1581658E-02 Ex_ueg -0.1241458E-02 Ec_ueg -0.2916475E-03 Delta_ex -0.1389589E-02 Delta_ec 0.4307521E-03 Delta_et -0.2918629E-02 Pxc 0.4256709E+01 Qxc -0.3225959E+01 3,+1 104 3 -1 -1.828432 0.554537 -2.803516 Rho 0.1660340E+00 |GRAD(Rho)| 0.1335215E-13 GRAD(Rho)x 0.1160405E-13 GRAD(Rho)y 0.1250302E-14 GRAD(Rho)z 0.6485562E-14 Laplacian 0.6851550E+00 (-1/4)Del**2(Rho)) -0.1712888E+00 Diamond 0.1554902E+01 Metallicity 0.5044515E+01 Ellipticity 0.1096023E-01 Gb(Abramov) 0.2582040E+00 Vb(Abramov) -0.3451192E+00 Hb(Abramov) -0.8691520E-01 Ex_ueg -0.6739812E-01 Ec_ueg -0.9477702E-02 Delta_ex -0.7533282E-01 Delta_ec 0.1673184E-01 Delta_et -0.2251299E+00 Pxc 0.7111231E+01 Qxc -0.4502364E+01 3,-1 105 3 -1 -0.864097 -2.991248 -1.994786 Rho 0.1352547E+00 |GRAD(Rho)| 0.3603014E-15 GRAD(Rho)x 0.2820687E-15 GRAD(Rho)y 0.4778621E-16 GRAD(Rho)z -0.2190224E-15 Laplacian 0.5314628E+00 (-1/4)Del**2(Rho)) -0.1328657E+00 Diamond 0.9494535E+00 Metallicity 0.4620913E+01 Ellipticity 0.4185607E-01 Gb(Abramov) 0.1909040E+00 Vb(Abramov) -0.2489422E+00 Hb(Abramov) -0.5803825E-01 Ex_ueg -0.5127690E-01 Ec_ueg -0.7506396E-02 Delta_ex -0.5563135E-01 Delta_ec 0.1379625E-01 Delta_et -0.1808011E+00 Pxc 0.6831094E+01 Qxc -0.4032353E+01 3,-1 106 3 +1 0.183272 -2.972603 0.207204 Rho 0.5498821E-02 |GRAD(Rho)| 0.1026891E-15 GRAD(Rho)x 0.8337199E-16 GRAD(Rho)y -0.9512790E-17 GRAD(Rho)z 0.5919189E-16 Laplacian 0.2223523E-01 (-1/4)Del**2(Rho)) -0.5558808E-02 Diamond 0.5005399E-03 Metallicity 0.5309099E+00 Ellipticity -0.1934349E+01 Gb(Abramov) 0.4197743E-02 Vb(Abramov) -0.2836678E-02 Hb(Abramov) 0.1361065E-02 Ex_ueg -0.7168217E-03 Ec_ueg -0.1684419E-03 Delta_ex -0.1053560E-02 Delta_ec 0.5706000E-03 Delta_et -0.3240296E-02 Pxc 0.4255603E+01 Qxc -0.1846407E+01 3,+1 107 3 -1 -0.876877 2.015095 3.034167 Rho 0.9762804E-01 |GRAD(Rho)| 0.1803822E-15 GRAD(Rho)x 0.1287558E-15 GRAD(Rho)y -0.9676504E-17 GRAD(Rho)z -0.1259606E-15 Laplacian 0.4064430E+00 (-1/4)Del**2(Rho)) -0.1016107E+00 Diamond 0.5082292E+00 Metallicity 0.3509440E+01 Ellipticity 0.6065443E-02 Gb(Abramov) 0.1271733E+00 Vb(Abramov) -0.1527359E+00 Hb(Abramov) -0.2556256E-01 Ex_ueg -0.3320100E-01 Ec_ueg -0.5181592E-02 Delta_ex -0.3969156E-01 Delta_ec 0.1193463E-01 Delta_et -0.1481767E+00 Pxc 0.6407490E+01 Qxc -0.3325748E+01 3,-1 108 3 +1 0.074646 3.002506 -0.080873 Rho 0.4488617E-02 |GRAD(Rho)| 0.3365209E-16 GRAD(Rho)x 0.2788561E-16 GRAD(Rho)y 0.5001635E-18 GRAD(Rho)z -0.1883099E-16 Laplacian 0.1709984E-01 (-1/4)Del**2(Rho)) -0.4274961E-02 Diamond 0.3507274E-03 Metallicity 0.4922004E+00 Ellipticity -0.4679915E+01 Gb(Abramov) 0.3200663E-02 Vb(Abramov) -0.2126366E-02 Hb(Abramov) 0.1074297E-02 Ex_ueg -0.5468503E-03 Ec_ueg -0.1249727E-03 Delta_ex -0.8390121E-03 Delta_ec 0.5495240E-03 Delta_et -0.2884604E-02 Pxc 0.4375757E+01 Qxc -0.1526798E+01 3,+1 109 3 -1 -2.996841 -2.000718 -0.852188 Rho 0.1346984E+00 |GRAD(Rho)| 0.1274584E-15 GRAD(Rho)x 0.1161858E-15 GRAD(Rho)y -0.3016793E-16 GRAD(Rho)z -0.4285309E-16 Laplacian 0.5321884E+00 (-1/4)Del**2(Rho)) -0.1330471E+00 Diamond 0.9464727E+00 Metallicity 0.4583019E+01 Ellipticity 0.3398406E-01 Gb(Abramov) 0.1903243E+00 Vb(Abramov) -0.2476015E+00 Hb(Abramov) -0.5727720E-01 Ex_ueg -0.5099585E-01 Ec_ueg -0.7471307E-02 Delta_ex -0.5565647E-01 Delta_ec 0.1383746E-01 Delta_et -0.1812416E+00 Pxc 0.6825560E+01 Qxc -0.4022159E+01 3,-1 110 3 -1 -0.864899 -1.996062 -2.991366 Rho 0.1372121E+00 |GRAD(Rho)| 0.1161398E-14 GRAD(Rho)x 0.9409926E-15 GRAD(Rho)y -0.5876511E-15 GRAD(Rho)z 0.3435769E-15 Laplacian 0.5394423E+00 (-1/4)Del**2(Rho)) -0.1348606E+00 Diamond 0.9804889E+00 Metallicity 0.4662891E+01 Ellipticity 0.4354059E-01 Gb(Abramov) 0.1947137E+00 Vb(Abramov) -0.2545669E+00 Hb(Abramov) -0.5985317E-01 Ex_ueg -0.5226867E-01 Ec_ueg -0.7629997E-02 Delta_ex -0.5666392E-01 Delta_ec 0.1395479E-01 Delta_et -0.1832852E+00 Pxc 0.6850418E+01 Qxc -0.4060535E+01 3,-1 111 3 +3 0.004907 -2.311966 0.035201 Rho 0.4670891E-02 |GRAD(Rho)| 0.4593409E-12 GRAD(Rho)x 0.4521751E-12 GRAD(Rho)y -0.6339077E-13 GRAD(Rho)z -0.5013315E-13 Laplacian 0.1899121E-01 (-1/4)Del**2(Rho)) -0.4747803E-02 Diamond 0.1624597E-03 Metallicity 0.4735800E+00 Ellipticity -0.3762309E+00 Gb(Abramov) 0.3539946E-02 Vb(Abramov) -0.2332089E-02 Hb(Abramov) 0.1207857E-02 Ex_ueg -0.5766576E-03 Ec_ueg -0.1327775E-03 Delta_ex -0.6862150E-03 Delta_ec 0.1592529E-03 Delta_et -0.1025982E-02 Pxc 0.4343037E+01 Qxc -0.4308964E+01 3,+3 112 3 +1 1.435614 -1.062270 2.205565 Rho 0.2510624E-01 |GRAD(Rho)| 0.1328116E-16 GRAD(Rho)x 0.7652675E-17 GRAD(Rho)y -0.5699825E-17 GRAD(Rho)z 0.9237847E-17 Laplacian 0.9346404E-01 (-1/4)Del**2(Rho)) -0.2336601E-01 Diamond 0.1150330E-01 Metallicity 0.1587102E+01 Ellipticity -0.3217012E+01 Gb(Abramov) 0.2175805E-01 Vb(Abramov) -0.2015008E-01 Hb(Abramov) 0.1607964E-02 Ex_ueg -0.5429510E-02 Ec_ueg -0.1094065E-02 Delta_ex -0.5733980E-02 Delta_ec 0.1433243E-02 Delta_et -0.1269960E-01 Pxc 0.4962696E+01 Qxc -0.4000703E+01 3,+1 113 3 -1 -0.586130 -1.834800 2.820207 Rho 0.1106829E+00 |GRAD(Rho)| 0.1185070E-13 GRAD(Rho)x 0.6131326E-14 GRAD(Rho)y -0.9780818E-14 GRAD(Rho)z -0.2679819E-14 Laplacian 0.4794442E+00 (-1/4)Del**2(Rho)) -0.1198611E+00 Diamond 0.6996736E+00 Metallicity 0.3667270E+01 Ellipticity 0.1829945E-01 Gb(Abramov) 0.1531678E+00 Vb(Abramov) -0.1864746E+00 Hb(Abramov) -0.3330679E-01 Ex_ueg -0.3924876E-01 Ec_ueg -0.5976610E-02 Delta_ex -0.4823342E-01 Delta_ec 0.1375642E-01 Delta_et -0.1752421E+00 Pxc 0.6567061E+01 Qxc -0.3506247E+01 3,-1 114 3 -1 -0.588684 2.818001 -1.834539 Rho 0.1117013E+00 |GRAD(Rho)| 0.9819497E-14 GRAD(Rho)x 0.9480589E-14 GRAD(Rho)y 0.1656478E-14 GRAD(Rho)z -0.1948596E-14 Laplacian 0.4839525E+00 (-1/4)Del**2(Rho)) -0.1209881E+00 Diamond 0.7139234E+00 Metallicity 0.3688988E+01 Ellipticity 0.1776975E-01 Gb(Abramov) 0.1550460E+00 Vb(Abramov) -0.1891040E+00 Hb(Abramov) -0.3405792E-01 Ex_ueg -0.3973097E-01 Ec_ueg -0.6039168E-02 Delta_ex -0.4878871E-01 Delta_ec 0.1385323E-01 Delta_et -0.1767825E+00 Pxc 0.6578882E+01 Qxc -0.3521830E+01 3,-1 115 3 +3 0.026987 2.414018 -0.001276 Rho 0.3944719E-02 |GRAD(Rho)| 0.8183629E-17 GRAD(Rho)x -0.3173413E-17 GRAD(Rho)y -0.2709630E-17 GRAD(Rho)z -0.7039825E-17 Laplacian 0.1543248E-01 (-1/4)Del**2(Rho)) -0.3858120E-02 Diamond 0.1125315E-03 Metallicity 0.4397484E+00 Ellipticity -0.2091877E+00 Gb(Abramov) 0.2854847E-02 Vb(Abramov) -0.1851574E-02 Hb(Abramov) 0.1003273E-02 Ex_ueg -0.4603342E-03 Ec_ueg -0.1017863E-03 Delta_ex -0.5435397E-03 Delta_ec 0.1466344E-03 Delta_et -0.8813418E-03 Pxc 0.4522554E+01 Qxc -0.3706768E+01 3,+3 116 3 -1 -0.456886 -0.468094 -0.468577 Rho 0.1802214E+00 |GRAD(Rho)| 0.1525176E-14 GRAD(Rho)x 0.9332812E-15 GRAD(Rho)y 0.1155326E-14 GRAD(Rho)z 0.3469447E-15 Laplacian 0.4779404E+00 (-1/4)Del**2(Rho)) -0.1194851E+00 Diamond 0.1234636E+01 Metallicity 0.8290554E+01 Ellipticity 0.9725460E-03 Gb(Abramov) 0.2447563E+00 Vb(Abramov) -0.3700276E+00 Hb(Abramov) -0.1252712E+00 Ex_ueg -0.7518427E-01 Ec_ueg -0.1040544E-01 Delta_ex -0.5393668E-01 Delta_ec 0.1194966E-01 Delta_et -0.1638226E+00 Pxc 0.7225476E+01 Qxc -0.4513657E+01 3,-1 117 3 +1 0.080409 -0.083918 3.004662 Rho 0.4500849E-02 |GRAD(Rho)| 0.4278870E-16 GRAD(Rho)x 0.2730275E-16 GRAD(Rho)y -0.3292416E-16 GRAD(Rho)z 0.1196603E-17 Laplacian 0.1715165E-01 (-1/4)Del**2(Rho)) -0.4287912E-02 Diamond 0.3520021E-03 Metallicity 0.4929445E+00 Ellipticity -0.4517719E+01 Gb(Abramov) 0.3210892E-02 Vb(Abramov) -0.2133872E-02 Hb(Abramov) 0.1077020E-02 Ex_ueg -0.5488382E-03 Ec_ueg -0.1254959E-03 Delta_ex -0.8408358E-03 Delta_ec 0.5491361E-03 Delta_et -0.2885756E-02 Pxc 0.4373354E+01 Qxc -0.1531197E+01 3,+1 118 3 +3 0.009429 0.032505 -2.313699 Rho 0.4666502E-02 |GRAD(Rho)| 0.4758671E-16 GRAD(Rho)x 0.4160788E-16 GRAD(Rho)y -0.7174131E-17 GRAD(Rho)z 0.2195019E-16 Laplacian 0.1897755E-01 (-1/4)Del**2(Rho)) -0.4744386E-02 Diamond 0.1620601E-03 Metallicity 0.4731792E+00 Ellipticity -0.3800181E+00 Gb(Abramov) 0.3537082E-02 Vb(Abramov) -0.2329777E-02 Hb(Abramov) 0.1207305E-02 Ex_ueg -0.5759353E-03 Ec_ueg -0.1325894E-03 Delta_ex -0.6854773E-03 Delta_ec 0.1590013E-03 Delta_et -0.1024347E-02 Pxc 0.4343751E+01 Qxc -0.4311143E+01 3,+3 119 3 -1 0.551559 1.756081 -1.745155 Rho 0.4269738E-01 |GRAD(Rho)| 0.9526295E-16 GRAD(Rho)x -0.2517827E-16 GRAD(Rho)y 0.8576336E-16 GRAD(Rho)z -0.3295043E-16 Laplacian 0.1840563E+00 (-1/4)Del**2(Rho)) -0.4601408E-01 Diamond 0.8080875E-01 Metallicity 0.1952830E+01 Ellipticity 0.2261912E-01 Gb(Abramov) 0.4565234E-01 Vb(Abramov) -0.4529059E-01 Hb(Abramov) 0.3617458E-03 Ex_ueg -0.1102182E-01 Ec_ueg -0.2015378E-02 Delta_ex -0.1485715E-01 Delta_ec 0.6015572E-02 Delta_et -0.6092510E-01 Pxc 0.5468862E+01 Qxc -0.2469782E+01 3,-1 120 3 -1 -0.449533 0.477478 0.477220 Rho 0.1837167E+00 |GRAD(Rho)| 0.9646061E-16 GRAD(Rho)x 0.1387779E-16 GRAD(Rho)y -0.9020562E-16 GRAD(Rho)z 0.3122502E-16 Laplacian 0.4921940E+00 (-1/4)Del**2(Rho)) -0.1230485E+00 Diamond 0.1297473E+01 Metallicity 0.8312367E+01 Ellipticity 0.4467813E-02 Gb(Abramov) 0.2525030E+00 Vb(Abramov) -0.3819576E+00 Hb(Abramov) -0.1294545E+00 Ex_ueg -0.7713474E-01 Ec_ueg -0.1063579E-01 Delta_ex -0.5578536E-01 Delta_ec 0.1219507E-01 Delta_et -0.1674018E+00 Pxc 0.7252376E+01 Qxc -0.4574419E+01 3,-1 121 3 +3 1.098822 -1.116823 -1.120526 Rho 0.5290676E-02 |GRAD(Rho)| 0.7382674E-17 GRAD(Rho)x -0.6581542E-17 GRAD(Rho)y -0.2855145E-17 GRAD(Rho)z -0.1742221E-17 Laplacian 0.2071012E-01 (-1/4)Del**2(Rho)) -0.5177529E-02 Diamond 0.1562868E-03 Metallicity 0.5345019E+00 Ellipticity -0.1803800E+00 Gb(Abramov) 0.3912919E-02 Vb(Abramov) -0.2648309E-02 Hb(Abramov) 0.1264610E-02 Ex_ueg -0.6808738E-03 Ec_ueg -0.1594432E-03 Delta_ex -0.7268676E-03 Delta_ec 0.9125148E-04 Delta_et -0.7293136E-03 Pxc 0.4270323E+01 Qxc -0.7965543E+01 3,+3 122 3 -1 1.752627 1.769099 -0.513320 Rho 0.3866161E-01 |GRAD(Rho)| 0.6145681E-16 GRAD(Rho)x 0.3147786E-16 GRAD(Rho)y 0.4078930E-16 GRAD(Rho)z 0.3350100E-16 Laplacian 0.1647526E+00 (-1/4)Del**2(Rho)) -0.4118815E-01 Diamond 0.6329118E-01 Metallicity 0.1848903E+01 Ellipticity 0.2804369E-01 Gb(Abramov) 0.4015092E-01 Vb(Abramov) -0.3911368E-01 Hb(Abramov) 0.1037233E-02 Ex_ueg -0.9655135E-02 Ec_ueg -0.1798454E-02 Delta_ex -0.1298683E-01 Delta_ec 0.5396640E-02 Delta_et -0.5318664E-01 Pxc 0.5368576E+01 Qxc -0.2406465E+01 3,-1 123 3 -1 -0.048183 -3.274572 3.246808 Rho 0.2127515E+00 |GRAD(Rho)| 0.3611810E-15 GRAD(Rho)x -0.1093960E-15 GRAD(Rho)y -0.2213941E-15 GRAD(Rho)z 0.2635695E-15 Laplacian 0.7988658E+00 (-1/4)Del**2(Rho)) -0.1997164E+00 Diamond 0.2440052E+01 Metallicity 0.6540243E+01 Ellipticity 0.4315970E-02 Gb(Abramov) 0.3508433E+00 Vb(Abramov) -0.5019702E+00 Hb(Abramov) -0.1511269E+00 Ex_ueg -0.9380270E-01 Ec_ueg -0.1257588E-01 Delta_ex -0.9352402E-01 Delta_ec 0.1822751E-01 Delta_et -0.2508084E+00 Pxc 0.7458938E+01 Qxc -0.5130928E+01 3,-1 124 3 -1 0.065609 -3.199195 -3.199051 Rho 0.2365288E+00 |GRAD(Rho)| 0.6110902E-08 GRAD(Rho)x 0.1082493E-08 GRAD(Rho)y -0.4261665E-08 GRAD(Rho)z -0.4243766E-08 Laplacian 0.8712054E+00 (-1/4)Del**2(Rho)) -0.2178014E+00 Diamond 0.3021395E+01 Metallicity 0.7155380E+01 Ellipticity 0.1509169E-02 Gb(Abramov) 0.4049428E+00 Vb(Abramov) -0.5920843E+00 Hb(Abramov) -0.1871415E+00 Ex_ueg -0.1080348E+00 Ec_ueg -0.1419949E-01 Delta_ex -0.1048259E+00 Delta_ec 0.1926809E-01 Delta_et -0.2664941E+00 Pxc 0.7608360E+01 Qxc -0.5440392E+01 3,-1 125 3 +1 0.586882 1.738053 0.560967 Rho 0.7406455E-02 |GRAD(Rho)| 0.1835473E-16 GRAD(Rho)x 0.1352442E-16 GRAD(Rho)y 0.1239123E-16 GRAD(Rho)z -0.6659648E-18 Laplacian 0.2699615E-01 (-1/4)Del**2(Rho)) -0.6749037E-02 Diamond 0.5750926E-03 Metallicity 0.7183376E+00 Ellipticity -0.1432695E+01 Gb(Abramov) 0.5307373E-02 Vb(Abramov) -0.3865708E-02 Hb(Abramov) 0.1441665E-02 Ex_ueg -0.1066266E-02 Ec_ueg -0.2518983E-03 Delta_ex -0.1179912E-02 Delta_ec 0.3657558E-03 Delta_et -0.2417209E-02 Pxc 0.4232922E+01 Qxc -0.3225956E+01 3,+1 126 3 -1 -0.567610 1.813548 -2.817554 Rho 0.1023247E+00 |GRAD(Rho)| 0.1450745E-12 GRAD(Rho)x 0.1009044E-12 GRAD(Rho)y 0.1002910E-12 GRAD(Rho)z 0.2840112E-13 Laplacian 0.4467189E+00 (-1/4)Del**2(Rho)) -0.1116797E+00 Diamond 0.5933799E+00 Metallicity 0.3453133E+01 Ellipticity 0.2293783E-01 Gb(Abramov) 0.1387273E+00 Vb(Abramov) -0.1657749E+00 Hb(Abramov) -0.2704758E-01 Ex_ueg -0.3534754E-01 Ec_ueg -0.5466090E-02 Delta_ex -0.4413566E-01 Delta_ec 0.1305014E-01 Delta_et -0.1636796E+00 Pxc 0.6466696E+01 Qxc -0.3382005E+01 3,-1 127 3 -1 -0.491034 1.757430 1.757182 Rho 0.3929855E-01 |GRAD(Rho)| 0.7901153E-15 GRAD(Rho)x 0.2606577E-15 GRAD(Rho)y 0.5240059E-15 GRAD(Rho)z 0.5308084E-15 Laplacian 0.1664712E+00 (-1/4)Del**2(Rho)) -0.4161779E-01 Diamond 0.6555240E-01 Metallicity 0.1880334E+01 Ellipticity 0.9444638E-02 Gb(Abramov) 0.4078775E-01 Vb(Abramov) -0.3995772E-01 Hb(Abramov) 0.8300367E-03 Ex_ueg -0.9867803E-02 Ec_ueg -0.1832493E-02 Delta_ex -0.1318419E-01 Delta_ec 0.5470052E-02 Delta_et -0.5415559E-01 Pxc 0.5384906E+01 Qxc -0.2410249E+01 3,-1 128 3 +1 2.936091 -0.155533 0.144518 Rho 0.5104135E-02 |GRAD(Rho)| 0.1395155E-16 GRAD(Rho)x 0.1735746E-17 GRAD(Rho)y -0.1080560E-16 GRAD(Rho)z 0.8652868E-17 Laplacian 0.2018831E-01 (-1/4)Del**2(Rho)) -0.5047078E-02 Diamond 0.4676340E-03 Metallicity 0.5164760E+00 Ellipticity -0.3269758E+01 Gb(Abramov) 0.3799168E-02 Vb(Abramov) -0.2551257E-02 Hb(Abramov) 0.1247910E-02 Ex_ueg -0.6490547E-03 Ec_ueg -0.1513969E-03 Delta_ex -0.9929439E-03 Delta_ec 0.6092823E-03 Delta_et -0.3340119E-02 Pxc 0.4287106E+01 Qxc -0.1629694E+01 3,+1 129 3 -1 0.551777 -1.801504 -2.780611 Rho 0.1544991E+00 |GRAD(Rho)| 0.1819623E-15 GRAD(Rho)x 0.1713310E-15 GRAD(Rho)y 0.3526368E-16 GRAD(Rho)z 0.5012402E-16 Laplacian 0.6438049E+00 (-1/4)Del**2(Rho)) -0.1609512E+00 Diamond 0.1341928E+01 Metallicity 0.4761411E+01 Ellipticity 0.1697469E-01 Gb(Abramov) 0.2350266E+00 Vb(Abramov) -0.3091021E+00 Hb(Abramov) -0.7407542E-01 Ex_ueg -0.6122844E-01 Ec_ueg -0.8732143E-02 Delta_ex -0.6954901E-01 Delta_ec 0.1604582E-01 Delta_et -0.2140585E+00 Pxc 0.7011845E+01 Qxc -0.4334399E+01 3,-1 130 3 +1 1.718928 -1.764525 -1.764932 Rho 0.1249464E-01 |GRAD(Rho)| 0.1498749E-13 GRAD(Rho)x -0.1568846E-14 GRAD(Rho)y 0.9469535E-14 GRAD(Rho)z -0.1151050E-13 Laplacian 0.6243672E-01 (-1/4)Del**2(Rho)) -0.1560918E-01 Diamond 0.2600798E-02 Metallicity 0.7425277E+00 Ellipticity -0.1257849E+01 Gb(Abramov) 0.1233783E-01 Vb(Abramov) -0.9066477E-02 Hb(Abramov) 0.3271352E-02 Ex_ueg -0.2141329E-02 Ec_ueg -0.4824512E-03 Delta_ex -0.3090029E-02 Delta_ec 0.7891131E-03 Delta_et -0.5991684E-02 Pxc 0.4438436E+01 Qxc -0.3915825E+01 3,+1 131 3 +1 0.540846 -1.665936 -0.521202 Rho 0.8849918E-02 |GRAD(Rho)| 0.2257028E-16 GRAD(Rho)x 0.9844210E-17 GRAD(Rho)y -0.1680061E-16 GRAD(Rho)z -0.1141265E-16 Laplacian 0.3439045E-01 (-1/4)Del**2(Rho)) -0.8597613E-02 Diamond 0.9558851E-03 Metallicity 0.7587069E+00 Ellipticity -0.1460221E+01 Gb(Abramov) 0.6818920E-02 Vb(Abramov) -0.5040227E-02 Hb(Abramov) 0.1778693E-02 Ex_ueg -0.1351981E-02 Ec_ueg -0.3161760E-03 Delta_ex -0.1582064E-02 Delta_ec 0.4830806E-03 Delta_et -0.3326905E-02 Pxc 0.4276041E+01 Qxc -0.3274948E+01 3,+1 132 3 +1 2.210561 -1.011263 1.476300 Rho 0.2440805E-01 |GRAD(Rho)| 0.6514611E-16 GRAD(Rho)x -0.5738892E-16 GRAD(Rho)y -0.7108843E-17 GRAD(Rho)z -0.2999987E-16 Laplacian 0.9305883E-01 (-1/4)Del**2(Rho)) -0.2326471E-01 Diamond 0.9646849E-02 Metallicity 0.1520818E+01 Ellipticity -0.2074170E+01 Gb(Abramov) 0.2140670E-01 Vb(Abramov) -0.1954870E-01 Hb(Abramov) 0.1858003E-02 Ex_ueg -0.5229127E-02 Ec_ueg -0.1058957E-02 Delta_ex -0.5512097E-02 Delta_ec 0.1152850E-02 Delta_et -0.1022282E-01 Pxc 0.4937998E+01 Qxc -0.4781280E+01 3,+1 133 3 -1 0.610145 2.893203 1.862906 Rho 0.1347610E+00 |GRAD(Rho)| 0.2339523E-15 GRAD(Rho)x -0.7256023E-16 GRAD(Rho)y -0.1284102E-16 GRAD(Rho)z -0.2220446E-15 Laplacian 0.5688766E+00 (-1/4)Del**2(Rho)) -0.1422191E+00 Diamond 0.1035137E+01 Metallicity 0.4290771E+01 Ellipticity 0.1546952E-01 Gb(Abramov) 0.1965177E+00 Vb(Abramov) -0.2508163E+00 Hb(Abramov) -0.5429859E-01 Ex_ueg -0.5102746E-01 Ec_ueg -0.7475255E-02 Delta_ex -0.5976262E-01 Delta_ec 0.1525855E-01 Delta_et -0.2007938E+00 Pxc 0.6826183E+01 Qxc -0.3916665E+01 3,-1 134 3 -1 -0.050572 3.245627 -3.272345 Rho 0.2127323E+00 |GRAD(Rho)| 0.1124350E-14 GRAD(Rho)x 0.3458605E-15 GRAD(Rho)y -0.4553649E-15 GRAD(Rho)z 0.9680841E-15 Laplacian 0.7989508E+00 (-1/4)Del**2(Rho)) -0.1997377E+00 Diamond 0.2439995E+01 Metallicity 0.6538562E+01 Ellipticity 0.4269441E-02 Gb(Abramov) 0.3508247E+00 Vb(Abramov) -0.5019117E+00 Hb(Abramov) -0.1510870E+00 Ex_ueg -0.9379140E-01 Ec_ueg -0.1257458E-01 Delta_ex -0.9353147E-01 Delta_ec 0.1822933E-01 Delta_et -0.2508299E+00 Pxc 0.7458810E+01 Qxc -0.5130824E+01 3,-1 135 3 -1 0.042467 3.281591 3.281620 Rho 0.2124910E+00 |GRAD(Rho)| 0.4373160E-15 GRAD(Rho)x -0.3461315E-16 GRAD(Rho)y -0.2636780E-15 GRAD(Rho)z -0.3471615E-15 Laplacian 0.7926248E+00 (-1/4)Del**2(Rho)) -0.1981562E+00 Diamond 0.2421993E+01 Metallicity 0.6578290E+01 Ellipticity 0.1449737E-02 Gb(Abramov) 0.3493590E+00 Vb(Abramov) -0.5005618E+00 Hb(Abramov) -0.1512028E+00 Ex_ueg -0.9364957E-01 Ec_ueg -0.1255826E-01 Delta_ex -0.9279270E-01 Delta_ec 0.1814241E-01 Delta_et -0.2498111E+00 Pxc 0.7457208E+01 Qxc -0.5114685E+01 3,-1 136 3 +1 0.185735 0.203173 -2.975723 Rho 0.5497355E-02 |GRAD(Rho)| 0.2873481E-15 GRAD(Rho)x 0.2033835E-15 GRAD(Rho)y 0.1988359E-15 GRAD(Rho)z -0.4084605E-16 Laplacian 0.2223419E-01 (-1/4)Del**2(Rho)) -0.5558548E-02 Diamond 0.4997118E-03 Metallicity 0.5306989E+00 Ellipticity -0.1927090E+01 Gb(Abramov) 0.4197351E-02 Vb(Abramov) -0.2836154E-02 Hb(Abramov) 0.1361197E-02 Ex_ueg -0.7165670E-03 Ec_ueg -0.1683784E-03 Delta_ex -0.1052941E-02 Delta_ec 0.5696604E-03 Delta_et -0.3235156E-02 Pxc 0.4255694E+01 Qxc -0.1848365E+01 3,+1 137 3 -1 0.491265 0.478089 -0.474913 Rho 0.1853138E+00 |GRAD(Rho)| 0.1674345E-15 GRAD(Rho)x 0.1353084E-15 GRAD(Rho)y 0.7632783E-16 GRAD(Rho)z -0.6245005E-16 Laplacian 0.5021957E+00 (-1/4)Del**2(Rho)) -0.1255489E+00 Diamond 0.1333887E+01 Metallicity 0.8265197E+01 Ellipticity 0.3747190E-02 Gb(Abramov) 0.2566470E+00 Vb(Abramov) -0.3877452E+00 Hb(Abramov) -0.1310981E+00 Ex_ueg -0.7803009E-01 Ec_ueg -0.1074127E-01 Delta_ex -0.5701437E-01 Delta_ec 0.1236392E-01 Delta_et -0.1697262E+00 Pxc 0.7264512E+01 Qxc -0.4611352E+01 3,-1 138 3 +1 0.586910 0.561868 1.737959 Rho 0.7404507E-02 |GRAD(Rho)| 0.1080716E-12 GRAD(Rho)x -0.8852630E-13 GRAD(Rho)y 0.2638354E-14 GRAD(Rho)z -0.6193226E-13 Laplacian 0.2698724E-01 (-1/4)Del**2(Rho)) -0.6746809E-02 Diamond 0.5746605E-03 Metallicity 0.7182599E+00 Ellipticity -0.1432607E+01 Gb(Abramov) 0.5305533E-02 Vb(Abramov) -0.3864257E-02 Hb(Abramov) 0.1441276E-02 Ex_ueg -0.1065892E-02 Ec_ueg -0.2518122E-03 Delta_ex -0.1179424E-02 Delta_ec 0.3655992E-03 Delta_et -0.2416042E-02 Pxc 0.4232885E+01 Qxc -0.3226004E+01 3,+1 139 3 +3 2.350967 0.008236 0.008157 Rho 0.4464034E-02 |GRAD(Rho)| 0.6927166E-14 GRAD(Rho)x 0.3051830E-14 GRAD(Rho)y 0.1847250E-14 GRAD(Rho)z 0.5937982E-14 Laplacian 0.1792803E-01 (-1/4)Del**2(Rho)) -0.4482007E-02 Diamond 0.1551367E-03 Metallicity 0.4651858E+00 Ellipticity -0.2993321E+00 Gb(Abramov) 0.3335499E-02 Vb(Abramov) -0.2188991E-02 Hb(Abramov) 0.1146508E-02 Ex_ueg -0.5428606E-03 Ec_ueg -0.1239214E-03 Delta_ex -0.6520504E-03 Delta_ec 0.1714075E-03 Delta_et -0.1060365E-02 Pxc 0.4380685E+01 Qxc -0.3804095E+01 3,+3 140 3 -1 0.610683 1.863370 2.893019 Rho 0.1347761E+00 |GRAD(Rho)| 0.2252732E-11 GRAD(Rho)x 0.1446180E-11 GRAD(Rho)y -0.1611564E-11 GRAD(Rho)z 0.6214723E-12 Laplacian 0.5687788E+00 (-1/4)Del**2(Rho)) -0.1421947E+00 Diamond 0.1035066E+01 Metallicity 0.4292311E+01 Ellipticity 0.1536772E-01 Gb(Abramov) 0.1965205E+00 Vb(Abramov) -0.2508462E+00 Hb(Abramov) -0.5432574E-01 Ex_ueg -0.5103509E-01 Ec_ueg -0.7476207E-02 Delta_ex -0.5975359E-01 Delta_ec 0.1525484E-01 Delta_et -0.2007474E+00 Pxc 0.6826334E+01 Qxc -0.3917025E+01 3,-1 141 3 -1 0.884149 1.984429 -3.054052 Rho 0.1117211E+00 |GRAD(Rho)| 0.1547967E-13 GRAD(Rho)x -0.1479016E-13 GRAD(Rho)y -0.4538538E-14 GRAD(Rho)z 0.5226735E-15 Laplacian 0.4577790E+00 (-1/4)Del**2(Rho)) -0.1144448E+00 Diamond 0.6723306E+00 Metallicity 0.3901058E+01 Ellipticity 0.9485930E-02 Gb(Abramov) 0.1507058E+00 Vb(Abramov) -0.1869668E+00 Hb(Abramov) -0.3626103E-01 Ex_ueg -0.3974037E-01 Ec_ueg -0.6040385E-02 Delta_ex -0.4610587E-01 Delta_ec 0.1302114E-01 Delta_et -0.1660548E+00 Pxc 0.6579111E+01 Qxc -0.3540848E+01 3,-1 142 3 +1 1.789238 1.821182 1.820626 Rho 0.1087054E-01 |GRAD(Rho)| 0.3479329E-14 GRAD(Rho)x 0.2495140E-14 GRAD(Rho)y -0.2424138E-14 GRAD(Rho)z -0.5969336E-16 Laplacian 0.4784011E-01 (-1/4)Del**2(Rho)) -0.1196003E-01 Diamond 0.1529716E-02 Metallicity 0.7683747E+00 Ellipticity -0.1250421E+01 Gb(Abramov) 0.9504982E-02 Vb(Abramov) -0.7049936E-02 Hb(Abramov) 0.2455045E-02 Ex_ueg -0.1778498E-02 Ec_ueg -0.4076836E-03 Delta_ex -0.2243658E-02 Delta_ec 0.5359712E-03 Delta_et -0.3991013E-02 Pxc 0.4362447E+01 Qxc -0.4186154E+01 3,+1 143 3 -1 0.893390 3.059925 -2.039065 Rho 0.1406130E+00 |GRAD(Rho)| 0.1501898E-15 GRAD(Rho)x -0.1327335E-15 GRAD(Rho)y -0.4916857E-16 GRAD(Rho)z 0.5021211E-16 Laplacian 0.5655569E+00 (-1/4)Del**2(Rho)) -0.1413892E+00 Diamond 0.1078953E+01 Metallicity 0.4632828E+01 Ellipticity 0.2136503E-01 Gb(Abramov) 0.2034315E+00 Vb(Abramov) -0.2654737E+00 Hb(Abramov) -0.6204226E-01 Ex_ueg -0.5400316E-01 Ec_ueg -0.7845348E-02 Delta_ex -0.5998272E-01 Delta_ec 0.1493723E-01 Delta_et -0.1977451E+00 Pxc 0.6883463E+01 Qxc -0.4015653E+01 3,-1 144 3 -1 0.549831 -2.777532 -1.800842 Rho 0.1536122E+00 |GRAD(Rho)| 0.4094651E-13 GRAD(Rho)x 0.2933770E-14 GRAD(Rho)y 0.2142344E-13 GRAD(Rho)z 0.3477134E-13 Laplacian 0.6401168E+00 (-1/4)Del**2(Rho)) -0.1600292E+00 Diamond 0.1325309E+01 Metallicity 0.4743114E+01 Ellipticity 0.1609849E-01 Gb(Abramov) 0.2331923E+00 Vb(Abramov) -0.3063553E+00 Hb(Abramov) -0.7316306E-01 Ex_ueg -0.6076023E-01 Ec_ueg -0.8675148E-02 Delta_ex -0.6905478E-01 Delta_ec 0.1598155E-01 Delta_et -0.2130502E+00 Pxc 0.7003942E+01 Qxc -0.4320908E+01 3,-1 145 3 -1 0.885842 -3.055438 1.985547 Rho 0.1123885E+00 |GRAD(Rho)| 0.8373882E-15 GRAD(Rho)x -0.6465911E-15 GRAD(Rho)y 0.5261091E-15 GRAD(Rho)z 0.7967531E-16 Laplacian 0.4603384E+00 (-1/4)Del**2(Rho)) -0.1150846E+00 Diamond 0.6808196E+00 Metallicity 0.3918072E+01 Ellipticity 0.1016385E-01 Gb(Abramov) 0.1518747E+00 Vb(Abramov) -0.1886648E+00 Hb(Abramov) -0.3679009E-01 Ex_ueg -0.4005723E-01 Ec_ueg -0.6081428E-02 Delta_ex -0.4642629E-01 Delta_ec 0.1307293E-01 Delta_et -0.1669006E+00 Pxc 0.6586812E+01 Qxc -0.3551329E+01 3,-1 146 3 +1 1.073127 -2.211893 1.400818 Rho 0.2565138E-01 |GRAD(Rho)| 0.4126605E-16 GRAD(Rho)x -0.9395435E-17 GRAD(Rho)y -0.3788723E-16 GRAD(Rho)z 0.1338545E-16 Laplacian 0.9827529E-01 (-1/4)Del**2(Rho)) -0.2456882E-01 Diamond 0.1201124E-01 Metallicity 0.1564420E+01 Ellipticity -0.2654516E+01 Gb(Abramov) 0.2278521E-01 Vb(Abramov) -0.2100159E-01 Hb(Abramov) 0.1783615E-02 Ex_ueg -0.5587266E-02 Ec_ueg -0.1121566E-02 Delta_ex -0.6017367E-02 Delta_ec 0.1423066E-02 Delta_et -0.1269300E-01 Pxc 0.4981666E+01 Qxc -0.4228454E+01 3,+1 147 3 -1 0.894253 -2.039857 3.060448 Rho 0.1405325E+00 |GRAD(Rho)| 0.2763153E-15 GRAD(Rho)x -0.2695327E-15 GRAD(Rho)y 0.3148252E-16 GRAD(Rho)z -0.5206881E-16 Laplacian 0.5654738E+00 (-1/4)Del**2(Rho)) -0.1413685E+00 Diamond 0.1078168E+01 Metallicity 0.4629088E+01 Ellipticity 0.2104438E-01 Gb(Abramov) 0.2033135E+00 Vb(Abramov) -0.2652585E+00 Hb(Abramov) -0.6194502E-01 Ex_ueg -0.5396194E-01 Ec_ueg -0.7840242E-02 Delta_ex -0.5996684E-01 Delta_ec 0.1493934E-01 Delta_et -0.1977601E+00 Pxc 0.6882688E+01 Qxc -0.4014021E+01 3,-1 148 3 +1 1.071881 1.400654 -2.212209 Rho 0.2567786E-01 |GRAD(Rho)| 0.4592779E-16 GRAD(Rho)x 0.2885243E-16 GRAD(Rho)y -0.4024531E-18 GRAD(Rho)z -0.3573146E-16 Laplacian 0.9840593E-01 (-1/4)Del**2(Rho)) -0.2460148E-01 Diamond 0.1203046E-01 Metallicity 0.1565032E+01 Ellipticity -0.2645793E+01 Gb(Abramov) 0.2281801E-01 Vb(Abramov) -0.2103453E-01 Hb(Abramov) 0.1783478E-02 Ex_ueg -0.5594957E-02 Ec_ueg -0.1122903E-02 Delta_ex -0.6025611E-02 Delta_ec 0.1422357E-02 Delta_et -0.1269032E-01 Pxc 0.4982581E+01 Qxc -0.4236357E+01 3,+1 149 3 +1 1.437177 2.205046 -1.060649 Rho 0.2508375E-01 |GRAD(Rho)| 0.3437616E-16 GRAD(Rho)x 0.1634070E-16 GRAD(Rho)y 0.2835089E-16 GRAD(Rho)z -0.1053228E-16 Laplacian 0.9331880E-01 (-1/4)Del**2(Rho)) -0.2332970E-01 Diamond 0.1142955E-01 Metallicity 0.1587199E+01 Ellipticity -0.3171076E+01 Gb(Abramov) 0.2172461E-01 Vb(Abramov) -0.2011953E-01 Hb(Abramov) 0.1605087E-02 Ex_ueg -0.5423026E-02 Ec_ueg -0.1092932E-02 Delta_ex -0.5719171E-02 Delta_ec 0.1422970E-02 Delta_et -0.1260796E-01 Pxc 0.4961907E+01 Qxc -0.4019180E+01 3,+1 150 3 +1 2.936011 0.144937 -0.156002 Rho 0.5104947E-02 |GRAD(Rho)| 0.1237032E-15 GRAD(Rho)x 0.7696466E-17 GRAD(Rho)y 0.8135945E-16 GRAD(Rho)z -0.9286483E-16 Laplacian 0.2018701E-01 (-1/4)Del**2(Rho)) -0.5046751E-02 Diamond 0.4682459E-03 Metallicity 0.5166462E+00 Ellipticity -0.3305418E+01 Gb(Abramov) 0.3799065E-02 Vb(Abramov) -0.2551379E-02 Hb(Abramov) 0.1247686E-02 Ex_ueg -0.6491923E-03 Ec_ueg -0.1514319E-03 Delta_ex -0.9934004E-03 Delta_ec 0.6101172E-03 Delta_et -0.3344487E-02 Pxc 0.4287025E+01 Qxc -0.1628212E+01 3,+1 151 3 -1 1.748377 0.554021 -1.739804 Rho 0.4675387E-01 |GRAD(Rho)| 0.3216981E-15 GRAD(Rho)x 0.2074545E-15 GRAD(Rho)y -0.9391753E-16 GRAD(Rho)z -0.2272263E-15 Laplacian 0.1895623E+00 (-1/4)Del**2(Rho)) -0.4739057E-01 Diamond 0.8702848E-01 Metallicity 0.2205755E+01 Ellipticity 0.1537277E-01 Gb(Abramov) 0.4901570E-01 Vb(Abramov) -0.5064084E-01 Hb(Abramov) -0.1625138E-02 Ex_ueg -0.1243966E-01 Ec_ueg -0.2236241E-02 Delta_ex -0.1531019E-01 Delta_ec 0.5593369E-02 Delta_et -0.5793769E-01 Pxc 0.5562754E+01 Qxc -0.2737203E+01 3,-1 152 3 -1 2.017504 -3.046844 0.838369 Rho 0.1553345E+00 |GRAD(Rho)| 0.2284881E-15 GRAD(Rho)x 0.1942213E-15 GRAD(Rho)y 0.9797122E-16 GRAD(Rho)z 0.6990394E-16 Laplacian 0.6029534E+00 (-1/4)Del**2(Rho)) -0.1507384E+00 Diamond 0.1271632E+01 Metallicity 0.5129907E+01 Ellipticity 0.3332597E-01 Gb(Abramov) 0.2293712E+00 Vb(Abramov) -0.3080040E+00 Hb(Abramov) -0.7863284E-01 Ex_ueg -0.6167026E-01 Ec_ueg -0.8785872E-02 Delta_ex -0.6528644E-01 Delta_ec 0.1512077E-01 Delta_et -0.2021385E+00 Pxc 0.7019254E+01 Qxc -0.4317666E+01 3,-1 153 3 -1 1.801813 -2.786624 -0.547659 Rho 0.1186411E+00 |GRAD(Rho)| 0.1266329E-13 GRAD(Rho)x -0.1114423E-13 GRAD(Rho)y 0.5896200E-14 GRAD(Rho)z -0.1183217E-14 Laplacian 0.4937237E+00 (-1/4)Del**2(Rho)) -0.1234309E+00 Diamond 0.7552600E+00 Metallicity 0.3998109E+01 Ellipticity 0.1020686E-01 Gb(Abramov) 0.1645357E+00 Vb(Abramov) -0.2056404E+00 Hb(Abramov) -0.4110475E-01 Ex_ueg -0.4305585E-01 Ec_ueg -0.6467492E-02 Delta_ex -0.5010237E-01 Delta_ec 0.1326461E-01 Delta_et -0.1701701E+00 Pxc 0.6657271E+01 Qxc -0.3777147E+01 3,-1 154 3 -1 1.747827 -1.739060 0.553296 Rho 0.4680336E-01 |GRAD(Rho)| 0.3171854E-14 GRAD(Rho)x 0.7687154E-15 GRAD(Rho)y -0.1282475E-14 GRAD(Rho)z 0.2797318E-14 Laplacian 0.1897810E+00 (-1/4)Del**2(Rho)) -0.4744524E-01 Diamond 0.8725538E-01 Metallicity 0.2207101E+01 Ellipticity 0.1536030E-01 Gb(Abramov) 0.4908290E-01 Vb(Abramov) -0.5072056E-01 Hb(Abramov) -0.1637657E-02 Ex_ueg -0.1245722E-01 Ec_ueg -0.2238952E-02 Delta_ex -0.1533197E-01 Delta_ec 0.5599869E-02 Delta_et -0.5802118E-01 Pxc 0.5563861E+01 Qxc -0.2737916E+01 3,-1 155 3 -1 2.036358 -0.865187 3.065729 Rho 0.1159290E+00 |GRAD(Rho)| 0.1662485E-15 GRAD(Rho)x -0.5032053E-16 GRAD(Rho)y -0.1528047E-15 GRAD(Rho)z -0.4191797E-16 Laplacian 0.4731507E+00 (-1/4)Del**2(Rho)) -0.1182877E+00 Diamond 0.7204209E+00 Metallicity 0.4014214E+01 Ellipticity 0.8263523E-02 Gb(Abramov) 0.1579971E+00 Vb(Abramov) -0.1977066E+00 Hb(Abramov) -0.3970944E-01 Ex_ueg -0.4174853E-01 Ec_ueg -0.6299691E-02 Delta_ex -0.4798300E-01 Delta_ec 0.1319364E-01 Delta_et -0.1692094E+00 Pxc 0.6627076E+01 Qxc -0.3636827E+01 3,-1 156 3 -1 2.036456 3.065656 -0.865255 Rho 0.1157214E+00 |GRAD(Rho)| 0.1964980E-09 GRAD(Rho)x -0.1023890E-09 GRAD(Rho)y 0.8150707E-10 GRAD(Rho)z -0.1465761E-09 Laplacian 0.4723357E+00 (-1/4)Del**2(Rho)) -0.1180839E+00 Diamond 0.7176178E+00 Metallicity 0.4009144E+01 Ellipticity 0.8527630E-02 Gb(Abramov) 0.1576252E+00 Vb(Abramov) -0.1971664E+00 Hb(Abramov) -0.3954126E-01 Ex_ueg -0.4164886E-01 Ec_ueg -0.6286865E-02 Delta_ex -0.4787994E-01 Delta_ec 0.1317598E-01 Delta_et -0.1689263E+00 Pxc 0.6624742E+01 Qxc -0.3633882E+01 3,-1 157 3 -1 1.849066 2.901291 0.612814 Rho 0.1282822E+00 |GRAD(Rho)| 0.4024440E-09 GRAD(Rho)x 0.2861488E-09 GRAD(Rho)y -0.1076835E-09 GRAD(Rho)z -0.2616951E-09 Laplacian 0.5395143E+00 (-1/4)Del**2(Rho)) -0.1348786E+00 Diamond 0.9310174E+00 Metallicity 0.4167616E+01 Ellipticity 0.2335199E-01 Gb(Abramov) 0.1836061E+00 Vb(Abramov) -0.2323336E+00 Hb(Abramov) -0.4872749E-01 Ex_ueg -0.4778303E-01 Ec_ueg -0.7068125E-02 Delta_ex -0.5608243E-01 Delta_ec 0.1476628E-01 Delta_et -0.1929494E+00 Pxc 0.6760355E+01 Qxc -0.3798007E+01 3,-1 158 3 -1 1.849552 0.612968 2.900910 Rho 0.1282223E+00 |GRAD(Rho)| 0.1898812E-15 GRAD(Rho)x 0.1249814E-15 GRAD(Rho)y -0.1420305E-15 GRAD(Rho)z 0.1618172E-16 Laplacian 0.5393931E+00 (-1/4)Del**2(Rho)) -0.1348483E+00 Diamond 0.9303310E+00 Metallicity 0.4165309E+01 Ellipticity 0.2343377E-01 Gb(Abramov) 0.1835130E+00 Vb(Abramov) -0.2321777E+00 Hb(Abramov) -0.4866470E-01 Ex_ueg -0.4775329E-01 Ec_ueg -0.7064373E-02 Delta_ex -0.5606413E-01 Delta_ec 0.1476556E-01 Delta_et -0.1929263E+00 Pxc 0.6759734E+01 Qxc -0.3796952E+01 3,-1 159 3 -1 2.017514 0.838560 -3.047292 Rho 0.1560059E+00 |GRAD(Rho)| 0.4784871E-13 GRAD(Rho)x 0.2865668E-13 GRAD(Rho)y -0.3245754E-13 GRAD(Rho)z 0.2036668E-13 Laplacian 0.6055117E+00 (-1/4)Del**2(Rho)) -0.1513779E+00 Diamond 0.1283639E+01 Metallicity 0.5145080E+01 Ellipticity 0.3384389E-01 Gb(Abramov) 0.2307272E+00 Vb(Abramov) -0.3100765E+00 Hb(Abramov) -0.7934929E-01 Ex_ueg -0.6202588E-01 Ec_ueg -0.8829078E-02 Delta_ex -0.6563319E-01 Delta_ec 0.1516815E-01 Delta_et -0.2028863E+00 Pxc 0.7025183E+01 Qxc -0.4327041E+01 3,-1 160 3 +1 2.210745 1.476832 -1.011569 Rho 0.2433913E-01 |GRAD(Rho)| 0.5953462E-14 GRAD(Rho)x -0.2599942E-14 GRAD(Rho)y 0.3126072E-14 GRAD(Rho)z 0.4348757E-14 Laplacian 0.9273615E-01 (-1/4)Del**2(Rho)) -0.2318404E-01 Diamond 0.9568473E-02 Metallicity 0.1518935E+01 Ellipticity -0.2070215E+01 Gb(Abramov) 0.2132520E-01 Vb(Abramov) -0.1946636E-01 Hb(Abramov) 0.1858837E-02 Ex_ueg -0.5209450E-02 Ec_ueg -0.1055498E-02 Delta_ex -0.5487840E-02 Delta_ec 0.1147379E-02 Delta_et -0.1016865E-01 Pxc 0.4935536E+01 Qxc -0.4782935E+01 3,+1 161 3 -1 2.937166 -0.004438 -0.007126 Rho 0.5124838E-02 |GRAD(Rho)| 0.9945834E-16 GRAD(Rho)x -0.2057423E-16 GRAD(Rho)y -0.6082450E-16 GRAD(Rho)z 0.7595421E-16 Laplacian 0.1989271E-01 (-1/4)Del**2(Rho)) -0.4973178E-02 Diamond 0.5332426E-03 Metallicity 0.5276987E+00 Ellipticity 0.4061946E+01 Gb(Abramov) 0.3752842E-02 Vb(Abramov) -0.2532506E-02 Hb(Abramov) 0.1220336E-02 Ex_ueg -0.6525671E-03 Ec_ueg -0.1522890E-03 Delta_ex -0.1042027E-02 Delta_ec 0.7125625E-03 Delta_et -0.3863836E-02 Pxc 0.4285057E+01 Qxc -0.1462366E+01 3,-1 162 3 -1 3.045102 2.009242 -0.869911 Rho 0.9302255E-01 |GRAD(Rho)| 0.1795309E-15 GRAD(Rho)x 0.9950943E-16 GRAD(Rho)y 0.1473227E-15 GRAD(Rho)z -0.2500441E-16 Laplacian 0.3863291E+00 (-1/4)Del**2(Rho)) -0.9658227E-01 Diamond 0.4571449E+00 Metallicity 0.3406456E+01 Ellipticity 0.9198196E-02 Gb(Abramov) 0.1192221E+00 Vb(Abramov) -0.1418618E+00 Hb(Abramov) -0.2263979E-01 Ex_ueg -0.3112930E-01 Ec_ueg -0.4904358E-02 Delta_ex -0.3734012E-01 Delta_ec 0.1151014E-01 Delta_et -0.1415064E+00 Pxc 0.6347274E+01 Qxc -0.3244106E+01 3,-1 163 3 -1 2.765650 -1.823152 -0.560636 Rho 0.1361805E+00 |GRAD(Rho)| 0.3588991E-15 GRAD(Rho)x 0.1055606E-15 GRAD(Rho)y 0.1623593E-15 GRAD(Rho)z -0.3021671E-15 Laplacian 0.5720544E+00 (-1/4)Del**2(Rho)) -0.1430136E+00 Diamond 0.1030544E+01 Metallicity 0.4342108E+01 Ellipticity 0.1055340E-01 Gb(Abramov) 0.1988391E+00 Vb(Abramov) -0.2546647E+00 Hb(Abramov) -0.5582554E-01 Ex_ueg -0.5174537E-01 Ec_ueg -0.7564823E-02 Delta_ex -0.5998136E-01 Delta_ec 0.1482883E-01 Delta_et -0.1945454E+00 Pxc 0.6840262E+01 Qxc -0.4044916E+01 3,-1 164 3 -1 3.044077 -2.033592 0.851220 Rho 0.1707566E+00 |GRAD(Rho)| 0.1674626E-13 GRAD(Rho)x -0.6605637E-14 GRAD(Rho)y -0.9876350E-14 GRAD(Rho)z -0.1180086E-13 Laplacian 0.6630620E+00 (-1/4)Del**2(Rho)) -0.1657655E+00 Diamond 0.1562760E+01 Metallicity 0.5462037E+01 Ellipticity 0.4721226E-01 Gb(Abramov) 0.2614132E+00 Vb(Abramov) -0.3570609E+00 Hb(Abramov) -0.9564772E-01 Ex_ueg -0.6996619E-01 Ec_ueg -0.9785217E-02 Delta_ex -0.7347101E-01 Delta_ec 0.1617161E-01 Delta_et -0.2185634E+00 Pxc 0.7150193E+01 Qxc -0.4543210E+01 3,-1 165 3 -1 2.766301 -0.559136 -1.824095 Rho 0.1359987E+00 |GRAD(Rho)| 0.1487229E-16 GRAD(Rho)x 0.1206175E-17 GRAD(Rho)y 0.2168404E-17 GRAD(Rho)z -0.1466383E-16 Laplacian 0.5711423E+00 (-1/4)Del**2(Rho)) -0.1427856E+00 Diamond 0.1027172E+01 Metallicity 0.4339369E+01 Ellipticity 0.1050381E-01 Gb(Abramov) 0.1984569E+00 Vb(Abramov) -0.2541283E+00 Hb(Abramov) -0.5567135E-01 Ex_ueg -0.5165328E-01 Ec_ueg -0.7553344E-02 Delta_ex -0.5986542E-01 Delta_ec 0.1480837E-01 Delta_et -0.1942337E+00 Pxc 0.6838465E+01 Qxc -0.4042673E+01 3,-1 166 3 -1 3.044578 -0.869779 2.008293 Rho 0.9325197E-01 |GRAD(Rho)| 0.1171346E-12 GRAD(Rho)x 0.5348683E-13 GRAD(Rho)y -0.8528871E-13 GRAD(Rho)z -0.5987911E-13 Laplacian 0.3871546E+00 (-1/4)Del**2(Rho)) -0.9678865E-01 Diamond 0.4594637E+00 Metallicity 0.3413177E+01 Ellipticity 0.8976742E-02 Gb(Abramov) 0.1195852E+00 Vb(Abramov) -0.1423818E+00 Hb(Abramov) -0.2279658E-01 Ex_ueg -0.3123171E-01 Ec_ueg -0.4918126E-02 Delta_ex -0.3744045E-01 Delta_ec 0.1152795E-01 Delta_et -0.1417993E+00 Pxc 0.6350327E+01 Qxc -0.3247798E+01 3,-1 167 3 -1 3.220967 -0.089174 -3.218450 Rho 0.2359718E+00 |GRAD(Rho)| 0.2499510E-15 GRAD(Rho)x 0.2249720E-15 GRAD(Rho)y -0.1463673E-17 GRAD(Rho)z 0.1089081E-15 Laplacian 0.8676552E+00 (-1/4)Del**2(Rho)) -0.2169138E+00 Diamond 0.3001143E+01 Metallicity 0.7156478E+01 Ellipticity 0.4539180E-03 Gb(Abramov) 0.4033323E+00 Vb(Abramov) -0.5897509E+00 Hb(Abramov) -0.1864186E+00 Ex_ueg -0.1076957E+00 Ec_ueg -0.1416110E-01 Delta_ex -0.1043378E+00 Delta_ec 0.1920862E-01 Delta_et -0.2656733E+00 Pxc 0.7605040E+01 Qxc -0.5431820E+01 3,-1 168 3 -1 3.293166 0.070009 3.269251 Rho 0.2108559E+00 |GRAD(Rho)| 0.7480028E-16 GRAD(Rho)x -0.7014788E-16 GRAD(Rho)y -0.7955333E-17 GRAD(Rho)z 0.2471981E-16 Laplacian 0.7866262E+00 (-1/4)Del**2(Rho)) -0.1966566E+00 Diamond 0.2382369E+01 Metallicity 0.6543664E+01 Ellipticity 0.4017792E-02 Gb(Abramov) 0.3455801E+00 Vb(Abramov) -0.4945037E+00 Hb(Abramov) -0.1489236E+00 Ex_ueg -0.9268997E-01 Ec_ueg -0.1244778E-01 Delta_ex -0.9191343E-01 Delta_ec 0.1805464E-01 Delta_et -0.2485150E+00 Pxc 0.7446306E+01 Qxc -0.5090847E+01 3,-1 169 3 -1 2.840897 1.848730 0.589850 Rho 0.1304282E+00 |GRAD(Rho)| 0.3171005E-15 GRAD(Rho)x 0.6970065E-16 GRAD(Rho)y -0.3071816E-15 GRAD(Rho)z 0.3652406E-16 Laplacian 0.5536431E+00 (-1/4)Del**2(Rho)) -0.1384108E+00 Diamond 0.9695532E+00 Metallicity 0.4175121E+01 Ellipticity 0.2078009E-01 Gb(Abramov) 0.1885875E+00 Vb(Abramov) -0.2387642E+00 Hb(Abramov) -0.5017671E-01 Ex_ueg -0.4885178E-01 Ec_ueg -0.7202673E-02 Delta_ex -0.5771865E-01 Delta_ec 0.1498520E-01 Delta_et -0.1961692E+00 Pxc 0.6782452E+01 Qxc -0.3851710E+01 3,-1 170 3 -1 1.752662 -0.513292 1.769099 Rho 0.3877720E-01 |GRAD(Rho)| 0.1262002E-15 GRAD(Rho)x -0.9247694E-16 GRAD(Rho)y -0.1164628E-16 GRAD(Rho)z -0.8508149E-16 Laplacian 0.1653463E+00 (-1/4)Del**2(Rho)) -0.4133658E-01 Diamond 0.6378757E-01 Metallicity 0.1851453E+01 Ellipticity 0.2750889E-01 Gb(Abramov) 0.4031317E-01 Vb(Abramov) -0.3928977E-01 Hb(Abramov) 0.1023404E-02 Ex_ueg -0.9693641E-02 Ec_ueg -0.1804625E-02 Delta_ex -0.1304367E-01 Delta_ec 0.5417108E-02 Delta_et -0.5343251E-01 Pxc 0.5371554E+01 Qxc -0.2407865E+01 3,-1 171 3 -1 -1.847933 -0.571384 2.808984 Rho 0.1578919E+00 |GRAD(Rho)| 0.3889862E-12 GRAD(Rho)x -0.2758942E-12 GRAD(Rho)y 0.2662305E-12 GRAD(Rho)z -0.6568103E-13 Laplacian 0.6535190E+00 (-1/4)Del**2(Rho)) -0.1633797E+00 Diamond 0.1398412E+01 Metallicity 0.4863563E+01 Ellipticity 0.1173037E-01 Gb(Abramov) 0.2413544E+00 Vb(Abramov) -0.3193291E+00 Hb(Abramov) -0.7797469E-01 Ex_ueg -0.6302769E-01 Ec_ueg -0.8950605E-02 Delta_ex -0.7098136E-01 Delta_ec 0.1620264E-01 Delta_et -0.2167681E+00 Pxc 0.7041723E+01 Qxc -0.4380851E+01 3,-1 172 3 -1 -2.005289 -2.999389 -0.854856 Rho 0.1352681E+00 |GRAD(Rho)| 0.1330699E-13 GRAD(Rho)x 0.1064317E-13 GRAD(Rho)y 0.4951470E-14 GRAD(Rho)z -0.6267529E-14 Laplacian 0.5277745E+00 (-1/4)Del**2(Rho)) -0.1319436E+00 Diamond 0.9465550E+00 Metallicity 0.4653972E+01 Ellipticity 0.3477954E-01 Gb(Abramov) 0.1903061E+00 Vb(Abramov) -0.2486685E+00 Hb(Abramov) -0.5836245E-01 Ex_ueg -0.5128365E-01 Ec_ueg -0.7507239E-02 Delta_ex -0.5528752E-01 Delta_ec 0.1377323E-01 Delta_et -0.1806472E+00 Pxc 0.6831227E+01 Qxc -0.4014127E+01 3,-1 173 3 -1 -0.567613 -2.818010 1.816882 Rho 0.1029327E+00 |GRAD(Rho)| 0.3984239E-15 GRAD(Rho)x 0.2701967E-15 GRAD(Rho)y 0.1136955E-15 GRAD(Rho)z 0.2698308E-15 Laplacian 0.4496462E+00 (-1/4)Del**2(Rho)) -0.1124116E+00 Diamond 0.6015464E+00 Metallicity 0.3464690E+01 Ellipticity 0.2251779E-01 Gb(Abramov) 0.1398529E+00 Vb(Abramov) -0.1672942E+00 Hb(Abramov) -0.2744134E-01 Ex_ueg -0.3562783E-01 Ec_ueg -0.5503043E-02 Delta_ex -0.4448556E-01 Delta_ec 0.1311865E-01 Delta_et -0.1647371E+00 Pxc 0.6474206E+01 Qxc -0.3391017E+01 3,-1 174 3 -1 -0.529559 -1.723002 -1.724864 Rho 0.4849763E-01 |GRAD(Rho)| 0.1186540E-15 GRAD(Rho)x 0.3604549E-16 GRAD(Rho)y -0.5103458E-16 GRAD(Rho)z -0.1008710E-15 Laplacian 0.1961464E+00 (-1/4)Del**2(Rho)) -0.4903659E-01 Diamond 0.9480516E-01 Metallicity 0.2265864E+01 Ellipticity 0.1070352E-01 Gb(Abramov) 0.5120943E-01 Vb(Abramov) -0.5338227E-01 Hb(Abramov) -0.2172840E-02 Ex_ueg -0.1306208E-01 Ec_ueg -0.2331998E-02 Delta_ex -0.1599552E-01 Delta_ec 0.5798645E-02 Delta_et -0.6064708E-01 Pxc 0.5601240E+01 Qxc -0.2758493E+01 3,-1 175 3 -1 0.491405 -0.474705 0.478413 Rho 0.1852795E+00 |GRAD(Rho)| 0.4577137E-12 GRAD(Rho)x -0.2736700E-12 GRAD(Rho)y 0.2614367E-12 GRAD(Rho)z -0.2574052E-12 Laplacian 0.5017434E+00 (-1/4)Del**2(Rho)) -0.1254359E+00 Diamond 0.1332312E+01 Metallicity 0.8270092E+01 Ellipticity 0.3770748E-02 Gb(Abramov) 0.2565183E+00 Vb(Abramov) -0.3876007E+00 Hb(Abramov) -0.1310824E+00 Ex_ueg -0.7801082E-01 Ec_ueg -0.1073900E-01 Delta_ex -0.5695980E-01 Delta_ec 0.1235236E-01 Delta_et -0.1695610E+00 Pxc 0.7264252E+01 Qxc -0.4611250E+01 3,-1 176 3 -1 0.552727 -1.746268 1.756724 Rho 0.4253578E-01 |GRAD(Rho)| 0.1335233E-13 GRAD(Rho)x -0.6237777E-14 GRAD(Rho)y -0.6751446E-14 GRAD(Rho)z 0.9684674E-14 Laplacian 0.1833183E+00 (-1/4)Del**2(Rho)) -0.4582959E-01 Diamond 0.8006373E-01 Metallicity 0.1948339E+01 Ellipticity 0.2278003E-01 Gb(Abramov) 0.4543498E-01 Vb(Abramov) -0.4504038E-01 Hb(Abramov) 0.3946013E-03 Ex_ueg -0.1096623E-01 Ec_ueg -0.2006636E-02 Delta_ex -0.1478349E-01 Delta_ec 0.5990862E-02 Delta_et -0.6061191E-01 Pxc 0.5464986E+01 Qxc -0.2467673E+01 3,-1 177 3 -1 1.804425 -0.548387 -2.788853 Rho 0.1177154E+00 |GRAD(Rho)| 0.2113443E-15 GRAD(Rho)x -0.1497961E-15 GRAD(Rho)y -0.1456897E-15 GRAD(Rho)z -0.3165532E-16 Laplacian 0.4898205E+00 (-1/4)Del**2(Rho)) -0.1224551E+00 Diamond 0.7423235E+00 Metallicity 0.3977695E+01 Ellipticity 0.1008434E-01 Gb(Abramov) 0.1628182E+00 Vb(Abramov) -0.2031814E+00 Hb(Abramov) -0.4036314E-01 Ex_ueg -0.4260846E-01 Ec_ueg -0.6410155E-02 Delta_ex -0.4961454E-01 Delta_ec 0.1318521E-01 Delta_et -0.1689201E+00 Pxc 0.6647026E+01 Qxc -0.3762893E+01 3,-1 178 3 -1 2.840823 0.590053 1.848037 Rho 0.1298892E+00 |GRAD(Rho)| 0.7527239E-16 GRAD(Rho)x 0.7424074E-16 GRAD(Rho)y -0.9934002E-17 GRAD(Rho)z -0.7453890E-17 Laplacian 0.5512666E+00 (-1/4)Del**2(Rho)) -0.1378167E+00 Diamond 0.9606797E+00 Metallicity 0.4164278E+01 Ellipticity 0.2098266E-01 Gb(Abramov) 0.1875289E+00 Vb(Abramov) -0.2372412E+00 Hb(Abramov) -0.4971227E-01 Ex_ueg -0.4858278E-01 Ec_ueg -0.7168848E-02 Delta_ex -0.5741489E-01 Delta_ec 0.1493718E-01 Delta_et -0.1954073E+00 Pxc 0.6776929E+01 Qxc -0.3843757E+01 3,-1 179 3 -1 3.045373 0.852970 -2.034426 Rho 0.1711204E+00 |GRAD(Rho)| 0.4528301E-13 GRAD(Rho)x -0.1825771E-13 GRAD(Rho)y -0.3198272E-13 GRAD(Rho)z -0.2634983E-13 Laplacian 0.6644982E+00 (-1/4)Del**2(Rho)) -0.1661246E+00 Diamond 0.1570187E+01 Metallicity 0.5469603E+01 Ellipticity 0.4728998E-01 Gb(Abramov) 0.2621889E+00 Vb(Abramov) -0.3582533E+00 Hb(Abramov) -0.9606436E-01 Ex_ueg -0.7016505E-01 Ec_ueg -0.9808966E-02 Delta_ex -0.7366968E-01 Delta_ec 0.1619817E-01 Delta_et -0.2189766E+00 Pxc 0.7153155E+01 Qxc -0.4548024E+01 3,-1 180 3 -1 3.219255 -3.217739 -0.091666 Rho 0.2359316E+00 |GRAD(Rho)| 0.5981384E-08 GRAD(Rho)x 0.4055071E-08 GRAD(Rho)y -0.4143892E-08 GRAD(Rho)z -0.1470209E-08 Laplacian 0.8675071E+00 (-1/4)Del**2(Rho)) -0.2168768E+00 Diamond 0.2999985E+01 Metallicity 0.7155669E+01 Ellipticity 0.4346130E-03 Gb(Abramov) 0.4032343E+00 Vb(Abramov) -0.5895918E+00 Hb(Abramov) -0.1863575E+00 Ex_ueg -0.1076713E+00 Ec_ueg -0.1415833E-01 Delta_ex -0.1043152E+00 Delta_ec 0.1920601E-01 Delta_et -0.2656341E+00 Pxc 0.7604801E+01 Qxc -0.5431383E+01 3,-1 181 3 -1 3.292898 3.270124 0.070681 Rho 0.2108297E+00 |GRAD(Rho)| 0.3026409E-15 GRAD(Rho)x 0.2006858E-15 GRAD(Rho)y 0.2112568E-15 GRAD(Rho)z 0.8177595E-16 Laplacian 0.7864233E+00 (-1/4)Del**2(Rho)) -0.1966058E+00 Diamond 0.2381412E+01 Metallicity 0.6543999E+01 Ellipticity 0.4058735E-02 Gb(Abramov) 0.3455019E+00 Vb(Abramov) -0.4943980E+00 Hb(Abramov) -0.1488961E+00 Ex_ueg -0.9267463E-01 Ec_ueg -0.1244601E-01 Delta_ex -0.9188687E-01 Delta_ec 0.1805076E-01 Delta_et -0.2484600E+00 Pxc 0.7446131E+01 Qxc -0.5090471E+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 78 176 113 173 147 145 123 174 129 144 110 105 124 119 126 114 141 143 134 127 140 133 107 90 135 154 163 153 164 152 180 122 169 157 162 156 181 56 75 97 77 99 61 95 85 92 109 172 69 81 70 104 80 89 67 82 78 171 65 91 66 170 178 158 166 155 168 151 165 177 179 159 167 175 116 137 120 55 161 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 17 18 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 19 20 2.423467 2.026303 2.055628 1.947393 2.031834 1.789899 2.380246 1.902736 1.905025 1.960367 1.966124 1.748819 2.421892 2.058011 2.022685 2.034166 1.947213 1.789929 2.458317 1.953889 1.953913 2.086787 2.089047 1.790600 2.393140 1.950979 2.006784 1.874276 1.911747 1.749847 2.464217 1.967012 1.972998 2.105366 2.023332 1.793603 2.419390 1.997776 1.897685 1.961674 1.881771 1.749232 2.404657 1.914936 1.877847 1.968133 1.966393 1.750169 2.403232 1.910293 1.876717 1.969186 1.972682 1.750271 2.418536 1.991888 1.895164 1.967504 1.884001 1.749318 2.462819 1.968671 1.973159 2.104474 2.022600 1.793549 2.393558 1.951541 2.009909 1.873399 1.910038 1.749778 1.699811 1.712551 1.699703 1.704172 3.221970 3.323196 2.425580 2.026502 2.055840 1.947704 2.032153 1.789907 2.381925 1.903179 1.905471 1.960954 1.966708 1.748829 2.424131 2.058226 2.022889 2.034483 1.947520 1.789937 2.460391 1.954083 1.954108 2.087103 2.089363 1.790602 2.395021 1.951418 2.007199 1.874684 1.912260 1.749856 2.466137 1.967194 1.973172 2.105680 2.023630 1.793607 2.421052 1.998206 1.898021 1.962277 1.882178 1.749241 2.406388 1.915369 1.878131 1.968705 1.966954 1.750179 2.404990 1.910725 1.877001 1.969760 1.973239 1.750282 2.420193 1.992308 1.895493 1.968105 1.884417 1.749328 2.464748 1.968851 1.973334 2.104785 2.022897 1.793552 2.395445 1.951982 2.010323 1.873802 1.910549 1.749788 1.699817 1.712553 1.699708 1.704175 3.226541 3.328251 29 26 24 31 26 25 28 27 26 25 25 23 27 24 26 25 26 24 29 27 27 25 25 25 32 28 26 28 28 23 29 26 27 29 27 25 31 27 27 27 26 25 27 28 25 25 26 23 30 30 25 27 25 23 32 27 27 27 26 24 29 27 27 27 27 25 31 28 25 27 27 23 20 23 20 21 35 35 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 Ta W Ta Ta W Ta W W W 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 2.2258 2.4590 2.2259 2.2157 2.4446 2.2065 2.4478 2.4569 2.4571 2.4482 2.2068 2.4444 -1.1158 -1.1298 -1.1160 -1.1149 -0.9689 -0.9744 -0.9683 -1.0215 -0.9644 -1.0228 -0.9692 -0.9816 -0.9828 -0.9698 -1.0228 -0.9648 -0.9805 -0.9934 -0.9801 -0.9888 -1.0368 -0.9959 -0.9882 -0.9870 -0.9869 -0.9871 -0.9965 -1.0368 -0.9335 -0.8273 -0.9336 -0.9383 -0.8321 -0.9478 -0.8316 -0.8344 -0.8346 -0.8318 -0.9477 -0.8318 2.5314 2.1058 2.0914 2.1059 2.1103 2.1028 2.1149 2.1015 2.0933 2.0933 2.1015 2.1149 2.1029 1.9380 1.9346 1.9379 1.9377 1.9300 1.9291 1.9302 1.9229 1.9308 1.9233 1.9314 1.9290 1.9288 1.9312 1.9233 1.9306 1.9400 1.9385 1.9401 1.9379 1.9306 1.9371 1.9391 1.9388 1.9388 1.9393 1.9370 1.9306 1.9425 1.9597 1.9425 1.9426 1.9593 1.9413 1.9599 1.9592 1.9592 1.9599 1.9413 1.9593 0.8268 6.0742 6.0903 6.0742 6.0809 6.0941 6.0844 6.0959 6.0923 6.0921 6.0959 6.0843 6.0941 5.1405 5.1565 5.1408 5.1398 5.0100 5.0169 5.0092 5.0744 5.0047 5.0748 5.0100 5.0254 5.0268 5.0108 5.0748 5.0052 5.0112 5.0254 5.0108 5.0211 5.0806 5.0298 5.0202 5.0181 5.0180 5.0188 5.0305 5.0806 4.9640 4.8339 4.9641 4.9689 4.8393 4.9801 4.8380 4.8417 4.8419 4.8383 4.9800 4.8391 1.1014 2.5601 3.3297 2.5600 2.5592 3.3290 2.5602 3.3254 3.3279 3.3278 3.3251 2.5600 3.3292 0.0373 0.0387 0.0373 0.0374 0.0289 0.0285 0.0289 0.0242 0.0290 0.0247 0.0278 0.0272 0.0272 0.0278 0.0247 0.0290 0.0292 0.0295 0.0293 0.0299 0.0256 0.0290 0.0289 0.0301 0.0301 0.0290 0.0290 0.0256 0.0269 0.0337 0.0269 0.0268 0.0335 0.0264 0.0336 0.0334 0.0334 0.0336 0.0264 0.0335 10.5404 14.0340 14.0296 14.0340 14.0338 14.0294 14.0340 14.0294 14.0296 14.0296 14.0294 14.0340 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 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 Ta W Ta Ta W Ta W W W 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 2.364078 2.503696 2.364068 2.358001 2.502334 2.356610 2.501872 2.501109 2.500873 2.501925 2.356841 2.502173 -1.097434 -1.094843 -1.097605 -1.096640 -0.984570 -0.985301 -0.983895 -1.054083 -0.980366 -1.050755 -0.992680 -1.000272 -1.001227 -0.993131 -1.050809 -0.981024 -0.984699 -0.982217 -0.984338 -0.979318 -1.045420 -0.994570 -0.987311 -0.976885 -0.976880 -0.986299 -0.995103 -1.045514 -1.015341 -0.870481 -1.015424 -1.020484 -0.876485 -1.033654 -0.875066 -0.878463 -0.878696 -0.875397 -1.033563 -0.876178 2.318844 1.848949 1.926332 1.848881 1.843620 1.935488 1.838118 1.934023 1.924982 1.925372 1.933727 1.838340 1.935798 -0.730691 -0.723103 -0.730929 -0.729930 -0.740779 -0.722976 -0.741842 -0.798723 -0.740984 -0.814857 -0.764141 -0.767256 -0.766984 -0.764269 -0.814759 -0.740557 -0.837160 -0.814364 -0.836792 -0.805799 -0.890350 -0.837644 -0.835284 -0.811434 -0.810475 -0.834595 -0.838039 -0.890563 -0.949436 -0.783098 -0.949572 -0.957970 -0.788613 -0.974872 -0.787866 -0.792365 -0.792343 -0.788363 -0.974828 -0.788142 1.729115 1.965067 2.035612 1.964856 1.961866 2.041701 1.958999 2.043985 2.035199 2.035226 2.043855 1.959274 2.041828 -0.802954 -0.794866 -0.803173 -0.804848 -0.820919 -0.814203 -0.821410 -0.891650 -0.818702 -0.902781 -0.838713 -0.851144 -0.851870 -0.839327 -0.902702 -0.818653 -0.859529 -0.853051 -0.859006 -0.842359 -0.929722 -0.863645 -0.860207 -0.847496 -0.847143 -0.858808 -0.864395 -0.930032 -0.924421 -0.747860 -0.924608 -0.930775 -0.756250 -0.948742 -0.753131 -0.757192 -0.757210 -0.753569 -0.948675 -0.755788 1.664062 -8.30455877 -8.24457401 -8.25349504 14.31987701 15.78918659 -21.09523338 -21.17564627 -7.91631297 12.39072021 -7.87287362 -390.3091 430.7328 -16.6175 -431.5353 -75.1089 -482.8381 Jun20-2024 07:03:33 Nodes: 1 Procs: 1 Jun20-2024 07:03:35 Nodes: 1 Procs: 1 0 Jun20-2024 07:03:39 Nodes: 1 Procs: 1 Jun20-2024 07:03:41 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:03:46 Nodes: 1 Procs: 1 Jun20-2024 07:03:47 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 07:03:50 Nodes: 1 Procs: 1 Jun20-2024 07:03:53 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 07:03:59 Nodes: 1 Procs: 5 *** (NO TITLE) *** -8 -17.54396353 -17.71184486 -17.72808629 -17.73783828 -17.74029441 -17.74186233 -17.74262369 -17.74326683 -17.74360760 -17.74378638 -17.74387064 -17.74391061 -17.74394361 -17.74396413 -17.74397349 GEOMETRY CONVERGED