ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 04:59:30 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 1.41 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 04:59:30 Nodes: 1 Procs: 1 Jun20-2024 04:59:32 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 04:59:34 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.04 1.96 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun20-2024 04:59:30 Nodes: 1 Procs: 1 Jun20-2024 04:59:32 Nodes: 1 Procs: 1 0 Jun20-2024 04:59:34 Nodes: 1 Procs: 1 Jun20-2024 04:59:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 04:59:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 2.42 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 04:59:30 Nodes: 1 Procs: 1 Jun20-2024 04:59:32 Nodes: 1 Procs: 1 0 Jun20-2024 04:59:34 Nodes: 1 Procs: 1 Jun20-2024 04:59:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 04:59:39 Nodes: 1 Procs: 1 Jun20-2024 04:59:42 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 04:59:46 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.49 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 04:59:30 Nodes: 1 Procs: 1 Jun20-2024 04:59:32 Nodes: 1 Procs: 1 0 Jun20-2024 04:59:34 Nodes: 1 Procs: 1 Jun20-2024 04:59:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 04:59:39 Nodes: 1 Procs: 1 Jun20-2024 04:59:42 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 04:59:46 Nodes: 1 Procs: 1 Jun20-2024 04:59:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 04:59:52 Hydrogen (TZP) c10-50 c10-50 c10-50 c10-50 c10-50 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.34 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 04:59:30 Nodes: 1 Procs: 1 Jun20-2024 04:59:32 Nodes: 1 Procs: 1 0 Jun20-2024 04:59:34 Nodes: 1 Procs: 1 Jun20-2024 04:59:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 04:59:39 Nodes: 1 Procs: 1 Jun20-2024 04:59:42 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 04:59:46 Nodes: 1 Procs: 1 Jun20-2024 04:59:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 04:59:52 Nodes: 1 Procs: 1 Jun20-2024 04:59:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 04:59:57 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2259.0006999999996 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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 04:59:42 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun20-2024 04:59:53 1 1 Oxygen TZP 1s t21.W ADF 2019.304 Jun20-2024 04:59:48 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun20-2024 04:59:37 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun20-2024 04:59:32 1 1 Hydrogen TZP 1 1 -15.01530393 0.74672950 0.00100000 F 0.11382161 0.00066667 F 0.74672950 0.11382161 0.29188627 0.01000000 F 0.07884908 0.00666667 F Cartesian 2259.0006999999996 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-3.577678 Rho 0.3188289E+03 3,-3 35 3 -3 1.394326 3.552324 1.414066 Rho 0.3189065E+03 3,-3 36 3 -3 0.819898 -4.822970 -2.548660 Rho 0.3190220E+03 3,-3 37 3 -3 4.744127 -0.675103 -2.527280 Rho 0.3190204E+03 3,-3 38 3 -3 -0.898297 4.474012 2.869318 Rho 0.3191628E+03 3,-3 39 3 -3 4.689031 -0.679002 2.482867 Rho 0.3191262E+03 3,-3 40 3 -3 -0.469787 3.187631 1.731653 Rho 0.4361415E+07 3,-3 41 3 -3 3.002627 -0.659179 1.917183 Rho 0.4361415E+07 3,-3 42 3 -3 2.491222 2.586705 -0.002445 Rho 0.4361415E+07 3,-3 43 3 -3 0.457595 -3.136882 1.888298 Rho 0.4361415E+07 3,-3 44 3 -3 -0.232418 -0.026310 -0.015642 Rho 0.4276099E+05 3,-3 45 3 -3 -2.169120 1.411744 1.114446 Rho 0.4357430E+00 3,-3 46 3 -3 -2.249660 1.461164 -1.180355 Rho 0.4473722E+00 3,-3 47 3 -3 -1.364286 -3.163198 -0.318969 Rho 0.4495261E+00 3,-3 48 3 -1 -2.231836 2.198414 -0.014535 Rho 0.7935540E-02 |GRAD(Rho)| 0.4401760E-14 GRAD(Rho)x 0.1459937E-16 GRAD(Rho)y 0.4401043E-14 GRAD(Rho)z 0.7811481E-16 Laplacian 0.3025544E-01 (-1/4)Del**2(Rho)) -0.7563861E-02 Diamond 0.1394459E-02 Metallicity 0.7190688E+00 Ellipticity 0.1747711E+01 Gb(Abramov) 0.5949063E-02 Vb(Abramov) -0.4334266E-02 Hb(Abramov) 0.1614798E-02 Ex_ueg -0.1169016E-02 Ec_ueg -0.2753491E-03 Delta_ex -0.1689882E-02 Delta_ec 0.1024650E-02 Delta_et -0.6361768E-02 Pxc 0.4245577E+01 Qxc -0.1649228E+01 3,-1 49 3 +1 -1.139868 1.464914 0.688145 Rho 0.1109904E-01 |GRAD(Rho)| 0.4127158E-14 GRAD(Rho)x -0.3861385E-14 GRAD(Rho)y -0.9883185E-15 GRAD(Rho)z 0.1070687E-14 Laplacian 0.4419342E-01 (-1/4)Del**2(Rho)) -0.1104835E-01 Diamond 0.1674693E-02 Metallicity 0.8611224E+00 Ellipticity -0.1537188E+01 Gb(Abramov) 0.8951234E-02 Vb(Abramov) -0.6854113E-02 Hb(Abramov) 0.2097121E-02 Ex_ueg -0.1828518E-02 Ec_ueg -0.4181391E-03 Delta_ex -0.2154949E-02 Delta_ec 0.6214381E-03 Delta_et -0.4533123E-02 Pxc 0.4372989E+01 Qxc -0.3467680E+01 3,+1 50 3 +3 -1.514591 2.026094 -0.034290 Rho 0.5926503E-02 |GRAD(Rho)| 0.7101324E-13 GRAD(Rho)x 0.1616079E-13 GRAD(Rho)y 0.6914343E-13 GRAD(Rho)z -0.9463518E-15 Laplacian 0.2436425E-01 (-1/4)Del**2(Rho)) -0.6091063E-02 Diamond 0.2567353E-03 Metallicity 0.5489393E+00 Ellipticity -0.6346966E+00 Gb(Abramov) 0.4617980E-02 Vb(Abramov) -0.3144896E-02 Hb(Abramov) 0.1473084E-02 Ex_ueg -0.7921057E-03 Ec_ueg -0.1869994E-03 Delta_ex -0.9136905E-03 Delta_ec 0.1626852E-03 Delta_et -0.1168612E-02 Pxc 0.4235874E+01 Qxc -0.5616309E+01 3,+3 51 3 -1 -2.068094 1.016248 -2.446447 Rho 0.6889861E-02 |GRAD(Rho)| 0.1029761E-15 GRAD(Rho)x 0.9516693E-16 GRAD(Rho)y 0.8199013E-17 GRAD(Rho)z -0.3847218E-16 Laplacian 0.2442126E-01 (-1/4)Del**2(Rho)) -0.6105315E-02 Diamond 0.9924375E-03 Metallicity 0.7039296E+00 Ellipticity 0.2270381E+00 Gb(Abramov) 0.4786496E-02 Vb(Abramov) -0.3467676E-02 Hb(Abramov) 0.1318820E-02 Ex_ueg -0.9682757E-03 Ec_ueg -0.2291264E-03 Delta_ex -0.1363664E-02 Delta_ec 0.8940729E-03 Delta_et -0.5296552E-02 Pxc 0.4225946E+01 Qxc -0.1525227E+01 3,-1 52 3 +1 -1.865061 0.315442 1.803980 Rho 0.4664535E-02 |GRAD(Rho)| 0.7154233E-17 GRAD(Rho)x 0.1666001E-17 GRAD(Rho)y -0.2644505E-17 GRAD(Rho)z 0.6435377E-17 Laplacian 0.1559114E-01 (-1/4)Del**2(Rho)) -0.3897785E-02 Diamond 0.2515934E-03 Metallicity 0.5755493E+00 Ellipticity -0.2012833E+01 Gb(Abramov) 0.2972418E-02 Vb(Abramov) -0.2047051E-02 Hb(Abramov) 0.9253670E-03 Ex_ueg -0.5756116E-03 Ec_ueg -0.1325050E-03 Delta_ex -0.6838364E-03 Delta_ec 0.3461977E-03 Delta_et -0.1900247E-02 Pxc 0.4344073E+01 Qxc -0.1975277E+01 3,+1 53 3 +1 -1.690214 1.111041 2.536077 Rho 0.6401837E-02 |GRAD(Rho)| 0.5972114E-17 GRAD(Rho)x 0.1535358E-17 GRAD(Rho)y 0.4565531E-17 GRAD(Rho)z -0.3530544E-17 Laplacian 0.2489492E-01 (-1/4)Del**2(Rho)) -0.6223731E-02 Diamond 0.5962971E-03 Metallicity 0.6109562E+00 Ellipticity -0.1750103E+01 Gb(Abramov) 0.4782891E-02 Vb(Abramov) -0.3342052E-02 Hb(Abramov) 0.1440839E-02 Ex_ueg -0.8779259E-03 Ec_ueg -0.2077296E-03 Delta_ex -0.1156923E-02 Delta_ec 0.5296193E-03 Delta_et -0.3196466E-02 Pxc 0.4226293E+01 Qxc -0.2184442E+01 3,+1 54 3 -1 -2.003836 0.990932 2.456710 Rho 0.6650378E-02 |GRAD(Rho)| 0.2903945E-17 GRAD(Rho)x 0.1613097E-17 GRAD(Rho)y 0.2427546E-18 GRAD(Rho)z -0.2402475E-17 Laplacian 0.2370864E-01 (-1/4)Del**2(Rho)) -0.5927161E-02 Diamond 0.9092110E-03 Metallicity 0.6835710E+00 Ellipticity 0.2359086E+00 Gb(Abramov) 0.4626713E-02 Vb(Abramov) -0.3326265E-02 Hb(Abramov) 0.1300448E-02 Ex_ueg -0.9236628E-03 Ec_ueg -0.2186123E-03 Delta_ex -0.1308923E-02 Delta_ec 0.8572404E-03 Delta_et -0.5027779E-02 Pxc 0.4225118E+01 Qxc -0.1526903E+01 3,-1 55 3 +1 -1.181872 1.486857 -0.720171 Rho 0.9820867E-02 |GRAD(Rho)| 0.1530427E-16 GRAD(Rho)x 0.4368961E-17 GRAD(Rho)y -0.1330016E-16 GRAD(Rho)z 0.6183747E-17 Laplacian 0.3725710E-01 (-1/4)Del**2(Rho)) -0.9314275E-02 Diamond 0.1160552E-02 Metallicity 0.8330170E+00 Ellipticity -0.1503738E+01 Gb(Abramov) 0.7502675E-02 Vb(Abramov) -0.5691075E-02 Hb(Abramov) 0.1811600E-02 Ex_ueg -0.1553286E-02 Ec_ueg -0.3599309E-03 Delta_ex -0.1747574E-02 Delta_ec 0.5010606E-03 Delta_et -0.3561109E-02 Pxc 0.4315512E+01 Qxc -0.3487750E+01 3,+1 56 3 +1 -1.903032 0.339901 -1.776677 Rho 0.4690079E-02 |GRAD(Rho)| 0.2561391E-17 GRAD(Rho)x -0.4226533E-18 GRAD(Rho)y -0.3404574E-18 GRAD(Rho)z 0.2503233E-17 Laplacian 0.1538626E-01 (-1/4)Del**2(Rho)) -0.3846566E-02 Diamond 0.2438274E-03 Metallicity 0.5885459E+00 Ellipticity -0.1969424E+01 Gb(Abramov) 0.2941691E-02 Vb(Abramov) -0.2036815E-02 Hb(Abramov) 0.9048752E-03 Ex_ueg -0.5798184E-03 Ec_ueg -0.1336001E-03 Delta_ex -0.6692741E-03 Delta_ec 0.3302861E-03 Delta_et -0.1822326E-02 Pxc 0.4339954E+01 Qxc -0.2026346E+01 3,+1 57 3 +3 -1.224704 0.586707 1.815240 Rho 0.4025207E-02 |GRAD(Rho)| 0.6001842E-17 GRAD(Rho)x -0.1137218E-18 GRAD(Rho)y -0.3384147E-18 GRAD(Rho)z 0.5991215E-17 Laplacian 0.1432395E-01 (-1/4)Del**2(Rho)) -0.3580988E-02 Diamond 0.9108060E-04 Metallicity 0.4900014E+00 Ellipticity -0.4204947E+00 Gb(Abramov) 0.2679774E-02 Vb(Abramov) -0.1778559E-02 Hb(Abramov) 0.9012145E-03 Ex_ueg -0.4729001E-03 Ec_ueg -0.1052077E-03 Delta_ex -0.4868964E-03 Delta_ec 0.1000959E-03 Delta_et -0.6537327E-03 Pxc 0.4494917E+01 Qxc -0.4864301E+01 3,+3 58 3 +1 1.407882 0.622242 0.888747 Rho 0.6657832E-02 |GRAD(Rho)| 0.3888945E-14 GRAD(Rho)x -0.3155746E-14 GRAD(Rho)y 0.1251442E-14 GRAD(Rho)z -0.1897117E-14 Laplacian 0.2585123E-01 (-1/4)Del**2(Rho)) -0.6462806E-02 Diamond 0.5058273E-03 Metallicity 0.6280874E+00 Ellipticity -0.1388134E+01 Gb(Abramov) 0.4985072E-02 Vb(Abramov) -0.3507338E-02 Hb(Abramov) 0.1477734E-02 Ex_ueg -0.9250435E-03 Ec_ueg -0.2189392E-03 Delta_ex -0.1118799E-02 Delta_ec 0.3835189E-03 Delta_et -0.2435930E-02 Pxc 0.4225116E+01 Qxc -0.2917195E+01 3,+1 59 3 -1 -2.055295 0.960908 0.738336 Rho 0.3913533E-01 |GRAD(Rho)| 0.2539169E-14 GRAD(Rho)x 0.1094013E-14 GRAD(Rho)y -0.1491554E-14 GRAD(Rho)z -0.1739477E-14 Laplacian 0.1087560E+00 (-1/4)Del**2(Rho)) -0.2718900E-01 Diamond 0.5816539E-01 Metallicity 0.2858302E+01 Ellipticity 0.2357520E-02 Gb(Abramov) 0.3107840E-01 Vb(Abramov) -0.3496780E-01 Hb(Abramov) -0.3889397E-02 Ex_ueg -0.9813193E-02 Ec_ueg -0.1823763E-02 Delta_ex -0.9535581E-02 Delta_ec 0.5235891E-02 Delta_et -0.5192919E-01 Pxc 0.5380740E+01 Qxc -0.1821196E+01 3,-1 60 3 -1 -1.736204 -0.014419 1.744152 Rho 0.4794108E-02 |GRAD(Rho)| 0.3882751E-13 GRAD(Rho)x 0.3752307E-13 GRAD(Rho)y -0.8924402E-14 GRAD(Rho)z 0.4466526E-14 Laplacian 0.1586892E-01 (-1/4)Del**2(Rho)) -0.3967231E-02 Diamond 0.3527402E-03 Metallicity 0.5918959E+00 Ellipticity 0.8527227E+00 Gb(Abramov) 0.3036185E-02 Vb(Abramov) -0.2105139E-02 Hb(Abramov) 0.9310457E-03 Ex_ueg -0.5970290E-03 Ec_ueg -0.1380632E-03 Delta_ex -0.7855903E-03 Delta_ec 0.5049810E-03 Delta_et -0.2705897E-02 Pxc 0.4324317E+01 Qxc -0.1555683E+01 3,-1 61 3 -1 -2.100311 0.986041 -0.760789 Rho 0.3085121E-01 |GRAD(Rho)| 0.3965753E-13 GRAD(Rho)x -0.3661462E-13 GRAD(Rho)y -0.1121464E-14 GRAD(Rho)z -0.1519314E-13 Laplacian 0.9319347E-01 (-1/4)Del**2(Rho)) -0.2329837E-01 Diamond 0.3484885E-01 Metallicity 0.2243957E+01 Ellipticity 0.3432773E-02 Gb(Abramov) 0.2424567E-01 Vb(Abramov) -0.2519297E-01 Hb(Abramov) -0.9473011E-03 Ex_ueg -0.7146300E-02 Ec_ueg -0.1387597E-02 Delta_ex -0.7656463E-02 Delta_ec 0.4300883E-02 Delta_et -0.3975437E-01 Pxc 0.5150128E+01 Qxc -0.1780207E+01 3,-1 62 3 +1 -2.205252 1.941161 -0.020485 Rho 0.7854406E-02 |GRAD(Rho)| 0.3398488E-16 GRAD(Rho)x 0.4648642E-17 GRAD(Rho)y -0.3149803E-16 GRAD(Rho)z 0.1188429E-16 Laplacian 0.3094040E-01 (-1/4)Del**2(Rho)) -0.7735100E-02 Diamond 0.1184706E-02 Metallicity 0.6912092E+00 Ellipticity -0.3306600E+01 Gb(Abramov) 0.6047829E-02 Vb(Abramov) -0.4360557E-02 Hb(Abramov) 0.1687271E-02 Ex_ueg -0.1153107E-02 Ec_ueg -0.2717447E-03 Delta_ex -0.1611832E-02 Delta_ec 0.8465658E-03 Delta_et -0.5309653E-02 Pxc 0.4243347E+01 Qxc -0.1903965E+01 3,+1 63 3 +1 -1.487203 -0.075304 1.740284 Rho 0.4748907E-02 |GRAD(Rho)| 0.7864608E-17 GRAD(Rho)x 0.4589245E-17 GRAD(Rho)y -0.7804959E-18 GRAD(Rho)z -0.6338905E-17 Laplacian 0.1591960E-01 (-1/4)Del**2(Rho)) -0.3979899E-02 Diamond 0.2819432E-03 Metallicity 0.5807696E+00 Ellipticity -0.2536464E+01 Gb(Abramov) 0.3038500E-02 Vb(Abramov) -0.2097101E-02 Hb(Abramov) 0.9413989E-03 Ex_ueg -0.5895354E-03 Ec_ueg -0.1361233E-03 Delta_ex -0.7195927E-03 Delta_ec 0.3868232E-03 Delta_et -0.2115031E-02 Pxc 0.4330893E+01 Qxc -0.1860263E+01 3,+1 64 3 -1 -1.761782 0.002940 -1.722964 Rho 0.4839205E-02 |GRAD(Rho)| 0.2083875E-10 GRAD(Rho)x -0.2447019E-11 GRAD(Rho)y 0.2986688E-12 GRAD(Rho)z 0.2069242E-10 Laplacian 0.1591034E-01 (-1/4)Del**2(Rho)) -0.3977584E-02 Diamond 0.3649982E-03 Metallicity 0.5996398E+00 Ellipticity 0.7463919E+00 Gb(Abramov) 0.3049242E-02 Vb(Abramov) -0.2120901E-02 Hb(Abramov) 0.9283417E-03 Ex_ueg -0.6045289E-03 Ec_ueg -0.1399997E-03 Delta_ex -0.7957041E-03 Delta_ec 0.5181774E-03 Delta_et -0.2779672E-02 Pxc 0.4318073E+01 Qxc -0.1535582E+01 3,-1 65 3 +1 -1.463057 -0.065589 -1.725844 Rho 0.4764001E-02 |GRAD(Rho)| 0.1848496E-14 GRAD(Rho)x 0.1777729E-14 GRAD(Rho)y -0.3096819E-15 GRAD(Rho)z 0.4008893E-15 Laplacian 0.1597813E-01 (-1/4)Del**2(Rho)) -0.3994533E-02 Diamond 0.2817033E-03 Metallicity 0.5817105E+00 Ellipticity -0.2390667E+01 Gb(Abramov) 0.3050299E-02 Vb(Abramov) -0.2106065E-02 Hb(Abramov) 0.9442342E-03 Ex_ueg -0.5920352E-03 Ec_ueg -0.1367710E-03 Delta_ex -0.7202525E-03 Delta_ec 0.3838458E-03 Delta_et -0.2103014E-02 Pxc 0.4328661E+01 Qxc -0.1876411E+01 3,+1 66 3 +1 -1.658080 1.184395 -2.566307 Rho 0.6350141E-02 |GRAD(Rho)| 0.2998227E-15 GRAD(Rho)x 0.2796812E-15 GRAD(Rho)y 0.7982041E-16 GRAD(Rho)z -0.7280644E-16 Laplacian 0.2464681E-01 (-1/4)Del**2(Rho)) -0.6161702E-02 Diamond 0.5388871E-03 Metallicity 0.6088236E+00 Ellipticity -0.1577316E+01 Gb(Abramov) 0.4733033E-02 Vb(Abramov) -0.3304364E-02 Hb(Abramov) 0.1428669E-02 Ex_ueg -0.8684862E-03 Ec_ueg -0.2054697E-03 Delta_ex -0.1112903E-02 Delta_ec 0.4700561E-03 Delta_et -0.2861839E-02 Pxc 0.4226833E+01 Qxc -0.2367596E+01 3,+1 67 3 +1 -1.909302 2.623304 -0.011853 Rho 0.7156365E-02 |GRAD(Rho)| 0.7075691E-17 GRAD(Rho)x 0.4007039E-17 GRAD(Rho)y 0.1554603E-17 GRAD(Rho)z 0.5620698E-17 Laplacian 0.2906171E-01 (-1/4)Del**2(Rho)) -0.7265429E-02 Diamond 0.7270575E-03 Metallicity 0.6301530E+00 Ellipticity -0.1524200E+01 Gb(Abramov) 0.5606674E-02 Vb(Abramov) -0.3947920E-02 Hb(Abramov) 0.1658754E-02 Ex_ueg -0.1018533E-02 Ec_ueg -0.2408585E-03 Delta_ex -0.1337713E-02 Delta_ec 0.5337580E-03 Delta_et -0.3372403E-02 Pxc 0.4228760E+01 Qxc -0.2506216E+01 3,+1 68 3 -1 -1.097503 -0.198906 -3.549543 Rho 0.1907301E+00 |GRAD(Rho)| 0.9259066E-14 GRAD(Rho)x -0.9155003E-14 GRAD(Rho)y 0.5917033E-16 GRAD(Rho)z -0.1383008E-14 Laplacian 0.7553282E+00 (-1/4)Del**2(Rho)) -0.1888321E+00 Diamond 0.2024619E+01 Metallicity 0.5765579E+01 Ellipticity 0.9015862E-02 Gb(Abramov) 0.3073424E+00 Vb(Abramov) -0.4258527E+00 Hb(Abramov) -0.1185103E+00 Ex_ueg -0.8108566E-01 Ec_ueg -0.1110008E-01 Delta_ex -0.8599937E-01 Delta_ec 0.1778040E-01 Delta_et -0.2426863E+00 Pxc 0.7304961E+01 Qxc -0.4836752E+01 3,-1 69 3 -1 -1.048629 -0.001096 -0.003733 Rho 0.1918267E+00 |GRAD(Rho)| 0.3123613E-15 GRAD(Rho)x -0.3122502E-15 GRAD(Rho)y 0.6505213E-17 GRAD(Rho)z 0.5204170E-17 Laplacian 0.5089793E+00 (-1/4)Del**2(Rho)) -0.1272448E+00 Diamond 0.1361366E+01 Metallicity 0.8638294E+01 Ellipticity 0.5486548E-02 Gb(Abramov) 0.2680262E+00 Vb(Abramov) -0.4088077E+00 Hb(Abramov) -0.1407814E+00 Ex_ueg -0.8170783E-01 Ec_ueg -0.1117293E-01 Delta_ex -0.5794668E-01 Delta_ec 0.1180447E-01 Delta_et -0.1606800E+00 Pxc 0.7313020E+01 Qxc -0.4908874E+01 3,-1 70 3 -1 -1.101960 -0.221297 3.533378 Rho 0.1932064E+00 |GRAD(Rho)| 0.8593398E-14 GRAD(Rho)x 0.4655456E-14 GRAD(Rho)y -0.7212743E-14 GRAD(Rho)z 0.3867214E-15 Laplacian 0.7613322E+00 (-1/4)Del**2(Rho)) -0.1903330E+00 Diamond 0.2071638E+01 Metallicity 0.5844423E+01 Ellipticity 0.9870327E-02 Gb(Abramov) 0.3122865E+00 Vb(Abramov) -0.4342399E+00 Hb(Abramov) -0.1219534E+00 Ex_ueg -0.8249238E-01 Ec_ueg -0.1126468E-01 Delta_ex -0.8696108E-01 Delta_ec 0.1784718E-01 Delta_et -0.2438329E+00 Pxc 0.7323100E+01 Qxc -0.4872539E+01 3,-1 71 3 +3 -1.194131 0.664814 -1.808117 Rho 0.3834617E-02 |GRAD(Rho)| 0.1484497E-17 GRAD(Rho)x 0.6246782E-18 GRAD(Rho)y -0.1185658E-17 GRAD(Rho)z -0.6385326E-18 Laplacian 0.1336935E-01 (-1/4)Del**2(Rho)) -0.3342338E-02 Diamond 0.7326446E-04 Metallicity 0.4842164E+00 Ellipticity -0.4130596E+00 Gb(Abramov) 0.2497961E-02 Vb(Abramov) -0.1653584E-02 Hb(Abramov) 0.8443768E-03 Ex_ueg -0.4432829E-03 Ec_ueg -0.9711157E-04 Delta_ex -0.4403548E-03 Delta_ec 0.7848327E-04 Delta_et -0.5348556E-03 Pxc 0.4564677E+01 Qxc -0.5610811E+01 3,+3 72 3 -1 -0.105626 2.380830 0.849423 Rho 0.4488505E-01 |GRAD(Rho)| 0.1634100E-13 GRAD(Rho)x -0.4009176E-15 GRAD(Rho)y -0.1916326E-14 GRAD(Rho)z 0.1622329E-13 Laplacian 0.1713541E+00 (-1/4)Del**2(Rho)) -0.4283852E-01 Diamond 0.7321143E-01 Metallicity 0.2279755E+01 Ellipticity 0.2500048E-01 Gb(Abramov) 0.4483591E-01 Vb(Abramov) -0.4683329E-01 Hb(Abramov) -0.1997383E-02 Ex_ueg -0.1178114E-01 Ec_ueg -0.2134152E-02 Delta_ex -0.1363840E-01 Delta_ec 0.4949815E-02 Delta_et -0.5070113E-01 Pxc 0.5520290E+01 Qxc -0.2755334E+01 3,-1 73 3 +1 1.467359 0.672265 -0.902909 Rho 0.6194039E-02 |GRAD(Rho)| 0.3530788E-16 GRAD(Rho)x -0.1085602E-16 GRAD(Rho)y 0.2776844E-16 GRAD(Rho)z 0.1891314E-16 Laplacian 0.2342554E-01 (-1/4)Del**2(Rho)) -0.5856385E-02 Diamond 0.4106776E-03 Metallicity 0.6145352E+00 Ellipticity -0.1377007E+01 Gb(Abramov) 0.4504083E-02 Vb(Abramov) -0.3151780E-02 Hb(Abramov) 0.1352303E-02 Ex_ueg -0.8401375E-03 Ec_ueg -0.1986536E-03 Delta_ex -0.9926998E-03 Delta_ec 0.3414060E-03 Delta_et -0.2132444E-02 Pxc 0.4229157E+01 Qxc -0.2907681E+01 3,+1 74 3 +1 1.594584 -1.459960 -1.747272 Rho 0.2063092E-01 |GRAD(Rho)| 0.1962209E-16 GRAD(Rho)x 0.1626608E-16 GRAD(Rho)y 0.1093579E-16 GRAD(Rho)z -0.9216505E-18 Laplacian 0.7152992E-01 (-1/4)Del**2(Rho)) -0.1788248E-01 Diamond 0.6926654E-02 Metallicity 0.1495052E+01 Ellipticity -0.3788151E+01 Gb(Abramov) 0.1637753E-01 Vb(Abramov) -0.1487257E-01 Hb(Abramov) 0.1504953E-02 Ex_ueg -0.4179040E-02 Ec_ueg -0.8713592E-03 Delta_ex -0.4191691E-02 Delta_ec 0.1149545E-02 Delta_et -0.9697820E-02 Pxc 0.4796001E+01 Qxc -0.3646391E+01 3,+1 75 3 +1 0.044646 0.889375 1.558334 Rho 0.8335285E-02 |GRAD(Rho)| 0.5867513E-16 GRAD(Rho)x -0.4860561E-16 GRAD(Rho)y 0.5909597E-17 GRAD(Rho)z -0.3233176E-16 Laplacian 0.3191410E-01 (-1/4)Del**2(Rho)) -0.7978525E-02 Diamond 0.8183410E-03 Metallicity 0.7398858E+00 Ellipticity -0.1451346E+01 Gb(Abramov) 0.6302883E-02 Vb(Abramov) -0.4627241E-02 Hb(Abramov) 0.1675642E-02 Ex_ueg -0.1248185E-02 Ec_ueg -0.2931517E-03 Delta_ex -0.1446435E-02 Delta_ec 0.4489975E-03 Delta_et -0.3044352E-02 Pxc 0.4257814E+01 Qxc -0.3221478E+01 3,+1 76 3 -1 -1.436358 2.726088 -1.663205 Rho 0.1226308E+00 |GRAD(Rho)| 0.2372610E-13 GRAD(Rho)x -0.1657179E-13 GRAD(Rho)y 0.1996233E-14 GRAD(Rho)z 0.1686175E-13 Laplacian 0.4798884E+00 (-1/4)Del**2(Rho)) -0.1199721E+00 Diamond 0.7954441E+00 Metallicity 0.4346492E+01 Ellipticity 0.8289102E-01 Gb(Abramov) 0.1668910E+00 Vb(Abramov) -0.2138099E+00 Hb(Abramov) -0.4691892E-01 Ex_ueg -0.4499709E-01 Ec_ueg -0.6715272E-02 Delta_ex -0.4949554E-01 Delta_ec 0.1352799E-01 Delta_et -0.1757980E+00 Pxc 0.6700710E+01 Qxc -0.3658751E+01 3,-1 77 3 -1 -1.389665 2.703524 1.621904 Rho 0.1343097E+00 |GRAD(Rho)| 0.8646406E-13 GRAD(Rho)x -0.6184469E-13 GRAD(Rho)y 0.3049908E-13 GRAD(Rho)z -0.5216392E-13 Laplacian 0.5005590E+00 (-1/4)Del**2(Rho)) -0.1251397E+00 Diamond 0.9033584E+00 Metallicity 0.4849201E+01 Ellipticity 0.8750067E-01 Gb(Abramov) 0.1845645E+00 Vb(Abramov) -0.2439892E+00 Hb(Abramov) -0.5942471E-01 Ex_ueg -0.5079974E-01 Ec_ueg -0.7446806E-02 Delta_ex -0.5249926E-01 Delta_ec 0.1335845E-01 Delta_et -0.1755442E+00 Pxc 0.6821682E+01 Qxc -0.3930042E+01 3,-1 78 3 -1 -0.074546 0.858819 3.251042 Rho 0.1059896E+00 |GRAD(Rho)| 0.3215016E-15 GRAD(Rho)x -0.1146205E-16 GRAD(Rho)y -0.3123722E-15 GRAD(Rho)z 0.7520297E-16 Laplacian 0.4566447E+00 (-1/4)Del**2(Rho)) -0.1141612E+00 Diamond 0.6337120E+00 Metallicity 0.3582119E+01 Ellipticity 0.3240117E-02 Gb(Abramov) 0.1442639E+00 Vb(Abramov) -0.1743667E+00 Hb(Abramov) -0.3010276E-01 Ex_ueg -0.3704554E-01 Ec_ueg -0.5689286E-02 Delta_ex -0.4549843E-01 Delta_ec 0.1326236E-01 Delta_et -0.1675571E+00 Pxc 0.6511457E+01 Qxc -0.3430644E+01 3,-1 79 3 -1 -0.110475 2.360973 -0.874583 Rho 0.4198022E-01 |GRAD(Rho)| 0.1562640E-14 GRAD(Rho)x -0.4183835E-15 GRAD(Rho)y 0.1509951E-15 GRAD(Rho)z -0.1497999E-14 Laplacian 0.1712269E+00 (-1/4)Del**2(Rho)) -0.4280672E-01 Diamond 0.7285502E-01 Metallicity 0.2040715E+01 Ellipticity 0.1235073E-01 Gb(Abramov) 0.4309720E-01 Vb(Abramov) -0.4338768E-01 Hb(Abramov) -0.2904802E-03 Ex_ueg -0.1077568E-01 Ec_ueg -0.1976618E-02 Delta_ex -0.1373130E-01 Delta_ec 0.5537421E-02 Delta_et -0.5581526E-01 Pxc 0.5451574E+01 Qxc -0.2479729E+01 3,-1 80 3 -1 -0.483486 -3.199369 1.671765 Rho 0.2071742E+00 |GRAD(Rho)| 0.1838233E-15 GRAD(Rho)x 0.1791644E-15 GRAD(Rho)y 0.4034926E-16 GRAD(Rho)z -0.7941781E-17 Laplacian 0.7934168E+00 (-1/4)Del**2(Rho)) -0.1983542E+00 Diamond 0.2344692E+01 Metallicity 0.6299964E+01 Ellipticity 0.1465120E-01 Gb(Abramov) 0.3405068E+00 Vb(Abramov) -0.4826594E+00 Hb(Abramov) -0.1421526E+00 Ex_ueg -0.9053838E-01 Ec_ueg -0.1219955E-01 Delta_ex -0.9223716E-01 Delta_ec 0.1820901E-01 Delta_et -0.2500021E+00 Pxc 0.7421451E+01 Qxc -0.5065467E+01 3,-1 81 3 +3 0.580284 3.298836 0.016266 Rho 0.1199996E-01 |GRAD(Rho)| 0.2105207E-16 GRAD(Rho)x 0.5147628E-17 GRAD(Rho)y -0.3138619E-17 GRAD(Rho)z -0.2017029E-16 Laplacian 0.5384250E-01 (-1/4)Del**2(Rho)) -0.1346063E-01 Diamond 0.1225624E-02 Metallicity 0.8049842E+00 Ellipticity -0.7463060E+00 Gb(Abramov) 0.1077968E-01 Vb(Abramov) -0.8098739E-02 Hb(Abramov) 0.2680944E-02 Ex_ueg -0.2029043E-02 Ec_ueg -0.4595670E-03 Delta_ex -0.2377311E-02 Delta_ec 0.2180949E-03 Delta_et -0.2004814E-02 Pxc 0.4415119E+01 Qxc -0.1090035E+02 3,+3 82 3 -1 1.520681 -2.755150 2.021465 Rho 0.8135875E-01 |GRAD(Rho)| 0.2334791E-15 GRAD(Rho)x -0.2178399E-15 GRAD(Rho)y -0.8174037E-16 GRAD(Rho)z -0.1941018E-16 Laplacian 0.3213870E+00 (-1/4)Del**2(Rho)) -0.8034675E-01 Diamond 0.3065237E+00 Metallicity 0.3275357E+01 Ellipticity 0.1451971E-01 Gb(Abramov) 0.9742521E-01 Vb(Abramov) -0.1145037E+00 Hb(Abramov) -0.1707846E-01 Ex_ueg -0.2603699E-01 Ec_ueg -0.4210434E-02 Delta_ex -0.2975898E-01 Delta_ec 0.9166159E-02 Delta_et -0.1088536E+00 Pxc 0.6183920E+01 Qxc -0.3246614E+01 3,-1 83 3 +3 1.178515 1.104660 -1.718927 Rho 0.3656464E-02 |GRAD(Rho)| 0.2383835E-15 GRAD(Rho)x -0.1876330E-15 GRAD(Rho)y 0.7048055E-16 GRAD(Rho)z 0.1290467E-15 Laplacian 0.1445855E-01 (-1/4)Del**2(Rho)) -0.3614637E-02 Diamond 0.9153823E-04 Metallicity 0.4136095E+00 Ellipticity -0.3048034E+00 Gb(Abramov) 0.2658933E-02 Vb(Abramov) -0.1703229E-02 Hb(Abramov) 0.9557044E-03 Ex_ueg -0.4160384E-03 Ec_ueg -0.8956119E-04 Delta_ex -0.4945923E-03 Delta_ec 0.1283227E-03 Delta_et -0.7694159E-03 Pxc 0.4645298E+01 Qxc -0.3854286E+01 3,+3 84 3 -1 0.048981 -1.202193 3.579185 Rho 0.1086919E+00 |GRAD(Rho)| 0.1452850E-15 GRAD(Rho)x -0.4230083E-16 GRAD(Rho)y 0.1298468E-15 GRAD(Rho)z 0.4958023E-16 Laplacian 0.4408988E+00 (-1/4)Del**2(Rho)) -0.1102247E+00 Diamond 0.6284296E+00 Metallicity 0.3869036E+01 Ellipticity 0.2372106E-01 Gb(Abramov) 0.1445603E+00 Vb(Abramov) -0.1788960E+00 Hb(Abramov) -0.3433565E-01 Ex_ueg -0.3831021E-01 Ec_ueg -0.5854517E-02 Delta_ex -0.4415206E-01 Delta_ec 0.1267207E-01 Delta_et -0.1608180E+00 Pxc 0.6543700E+01 Qxc -0.3484204E+01 3,-1 85 3 +1 -0.499474 -3.232187 0.111597 Rho 0.1412603E-01 |GRAD(Rho)| 0.7972212E-17 GRAD(Rho)x -0.2741966E-17 GRAD(Rho)y 0.2397914E-17 GRAD(Rho)z -0.7091389E-17 Laplacian 0.6183031E-01 (-1/4)Del**2(Rho)) -0.1545758E-01 Diamond 0.3185269E-02 Metallicity 0.9199804E+00 Ellipticity -0.1497190E+01 Gb(Abramov) 0.1267516E-01 Vb(Abramov) -0.9892749E-02 Hb(Abramov) 0.2782415E-02 Ex_ueg -0.2522001E-02 Ec_ueg -0.5585824E-03 Delta_ex -0.3193648E-02 Delta_ec 0.8381592E-03 Delta_et -0.6513697E-02 Pxc 0.4515002E+01 Qxc -0.3810312E+01 3,+1 86 3 +1 0.534768 -1.762159 -0.038871 Rho 0.7919989E-02 |GRAD(Rho)| 0.6839812E-16 GRAD(Rho)x -0.5430452E-17 GRAD(Rho)y 0.4780325E-16 GRAD(Rho)z -0.4861751E-16 Laplacian 0.3116618E-01 (-1/4)Del**2(Rho)) -0.7791546E-02 Diamond 0.7544071E-03 Metallicity 0.6957777E+00 Ellipticity -0.1415473E+01 Gb(Abramov) 0.6097894E-02 Vb(Abramov) -0.4404243E-02 Hb(Abramov) 0.1693651E-02 Ex_ueg -0.1165962E-02 Ec_ueg -0.2746580E-03 Delta_ex -0.1398986E-02 Delta_ec 0.4465314E-03 Delta_et -0.2981257E-02 Pxc 0.4245142E+01 Qxc -0.3133007E+01 3,+1 87 3 +1 0.064842 0.942822 -1.600732 Rho 0.7886852E-02 |GRAD(Rho)| 0.1982276E-14 GRAD(Rho)x -0.7290156E-15 GRAD(Rho)y 0.5258458E-15 GRAD(Rho)z -0.1766760E-14 Laplacian 0.2919419E-01 (-1/4)Del**2(Rho)) -0.7298546E-02 Diamond 0.6751254E-03 Metallicity 0.7376034E+00 Ellipticity -0.1435828E+01 Gb(Abramov) 0.5762936E-02 Vb(Abramov) -0.4227326E-02 Hb(Abramov) 0.1535610E-02 Ex_ueg -0.1159462E-02 Ec_ueg -0.2731857E-03 Delta_ex -0.1295171E-02 Delta_ec 0.3934238E-03 Delta_et -0.2644157E-02 Pxc 0.4244227E+01 Qxc -0.3292051E+01 3,+1 88 3 -1 0.002783 -1.216958 -3.629927 Rho 0.1031053E+00 |GRAD(Rho)| 0.3975024E-14 GRAD(Rho)x 0.3534729E-14 GRAD(Rho)y 0.1818166E-14 GRAD(Rho)z 0.2787501E-16 Laplacian 0.4157742E+00 (-1/4)Del**2(Rho)) -0.1039436E+00 Diamond 0.5539735E+00 Metallicity 0.3757428E+01 Ellipticity 0.6041141E-02 Gb(Abramov) 0.1343891E+00 Vb(Abramov) -0.1648346E+00 Hb(Abramov) -0.3044555E-01 Ex_ueg -0.3570752E-01 Ec_ueg -0.5513541E-02 Delta_ex -0.4109481E-01 Delta_ec 0.1202681E-01 Delta_et -0.1509564E+00 Pxc 0.6476332E+01 Qxc -0.3416934E+01 3,-1 89 3 +1 0.237285 -1.200045 -2.604940 Rho 0.2384890E-01 |GRAD(Rho)| 0.6536250E-13 GRAD(Rho)x 0.1120999E-13 GRAD(Rho)y -0.6202010E-13 GRAD(Rho)z 0.1732338E-13 Laplacian 0.8791712E-01 (-1/4)Del**2(Rho)) -0.2197928E-01 Diamond 0.9919515E-02 Metallicity 0.1548770E+01 Ellipticity -0.2908399E+01 Gb(Abramov) 0.2032633E-01 Vb(Abramov) -0.1867338E-01 Hb(Abramov) 0.1652952E-02 Ex_ueg -0.5070018E-02 Ec_ueg -0.1030934E-02 Delta_ex -0.5300579E-02 Delta_ec 0.1314983E-02 Delta_et -0.1152082E-01 Pxc 0.4917886E+01 Qxc -0.4030910E+01 3,+1 90 3 +1 2.088179 -2.107748 -0.231025 Rho 0.5331537E-02 |GRAD(Rho)| 0.7809903E-17 GRAD(Rho)x -0.1630714E-18 GRAD(Rho)y 0.1494490E-17 GRAD(Rho)z -0.7663843E-17 Laplacian 0.2104204E-01 (-1/4)Del**2(Rho)) -0.5260510E-02 Diamond 0.4771764E-03 Metallicity 0.5328595E+00 Ellipticity -0.2256798E+01 Gb(Abramov) 0.3974192E-02 Vb(Abramov) -0.2687874E-02 Hb(Abramov) 0.1286318E-02 Ex_ueg -0.6878942E-03 Ec_ueg -0.1612080E-03 Delta_ex -0.1010053E-02 Delta_ec 0.5746858E-03 Delta_et -0.3217017E-02 Pxc 0.4267122E+01 Qxc -0.1757574E+01 3,+1 91 3 -1 0.154739 -0.444634 2.467509 Rho 0.4304252E-01 |GRAD(Rho)| 0.6074879E-12 GRAD(Rho)x 0.1412980E-12 GRAD(Rho)y -0.1479110E-12 GRAD(Rho)z -0.5720129E-12 Laplacian 0.1784475E+00 (-1/4)Del**2(Rho)) -0.4461188E-01 Diamond 0.7981143E-01 Metallicity 0.2041419E+01 Ellipticity 0.8354738E-02 Gb(Abramov) 0.4491984E-01 Vb(Abramov) -0.4522781E-01 Hb(Abramov) -0.3079645E-03 Ex_ueg -0.1114077E-01 Ec_ueg -0.2034062E-02 Delta_ex -0.1446453E-01 Delta_ec 0.5888726E-02 Delta_et -0.5978025E-01 Pxc 0.5477105E+01 Qxc -0.2456308E+01 3,-1 92 3 -1 -0.092836 -0.009302 -4.687244 Rho 0.1859603E+00 |GRAD(Rho)| 0.1029719E-13 GRAD(Rho)x -0.1790529E-14 GRAD(Rho)y -0.1322632E-14 GRAD(Rho)z 0.1005370E-13 Laplacian 0.7038267E+00 (-1/4)Del**2(Rho)) -0.1759567E+00 Diamond 0.1853469E+01 Metallicity 0.5931727E+01 Ellipticity 0.1907616E-01 Gb(Abramov) 0.2912589E+00 Vb(Abramov) -0.4065612E+00 Hb(Abramov) -0.1153023E+00 Ex_ueg -0.7839326E-01 Ec_ueg -0.1078401E-01 Delta_ex -0.7979753E-01 Delta_ec 0.1699422E-01 Delta_et -0.2324070E+00 Pxc 0.7269397E+01 Qxc -0.4695568E+01 3,-1 93 3 -1 0.172014 -0.421626 -2.511014 Rho 0.3909667E-01 |GRAD(Rho)| 0.1522430E-15 GRAD(Rho)x -0.2921215E-16 GRAD(Rho)y 0.1362135E-16 GRAD(Rho)z -0.1487919E-15 Laplacian 0.1623629E+00 (-1/4)Del**2(Rho)) -0.4059073E-01 Diamond 0.6412317E-01 Metallicity 0.1911433E+01 Ellipticity 0.9920580E-02 Gb(Abramov) 0.3999156E-01 Vb(Abramov) -0.3939240E-01 Hb(Abramov) 0.5991632E-03 Ex_ueg -0.9800269E-02 Ec_ueg -0.1821696E-02 Delta_ex -0.1288074E-01 Delta_ec 0.5402949E-02 Delta_et -0.5342135E-01 Pxc 0.5379751E+01 Qxc -0.2384020E+01 3,-1 94 3 -1 0.123794 -0.366364 -0.687283 Rho 0.1740792E+00 |GRAD(Rho)| 0.5044259E-15 GRAD(Rho)x 0.8673617E-17 GRAD(Rho)y 0.2515349E-15 GRAD(Rho)z 0.4371503E-15 Laplacian 0.4343096E+00 (-1/4)Del**2(Rho)) -0.1085774E+00 Diamond 0.1068162E+01 Metallicity 0.8611101E+01 Ellipticity 0.8894623E-02 Gb(Abramov) 0.2282134E+00 Vb(Abramov) -0.3478495E+00 Hb(Abramov) -0.1196360E+00 Ex_ueg -0.7178731E-01 Ec_ueg -0.1000236E-01 Delta_ex -0.4852502E-01 Delta_ec 0.1083957E-01 Delta_et -0.1476761E+00 Pxc 0.7177038E+01 Qxc -0.4476655E+01 3,-1 95 3 -1 0.108129 -0.387873 0.660104 Rho 0.1689229E+00 |GRAD(Rho)| 0.2024876E-15 GRAD(Rho)x 0.6938894E-16 GRAD(Rho)y 0.1301043E-15 GRAD(Rho)z -0.1387779E-15 Laplacian 0.4096626E+00 (-1/4)Del**2(Rho)) -0.1024156E+00 Diamond 0.9771179E+00 Metallicity 0.8682963E+01 Ellipticity 0.6679840E-02 Gb(Abramov) 0.2164890E+00 Vb(Abramov) -0.3305623E+00 Hb(Abramov) -0.1140733E+00 Ex_ueg -0.6896624E-01 Ec_ueg -0.9665664E-02 Delta_ex -0.4547479E-01 Delta_ec 0.1038410E-01 Delta_et -0.1411736E+00 Pxc 0.7135179E+01 Qxc -0.4379272E+01 3,-1 96 3 +1 1.571842 -0.656866 -0.002108 Rho 0.7032872E-02 |GRAD(Rho)| 0.1112169E-16 GRAD(Rho)x -0.8626127E-17 GRAD(Rho)y 0.5823120E-17 GRAD(Rho)z 0.3920857E-17 Laplacian 0.2675955E-01 (-1/4)Del**2(Rho)) -0.6689888E-02 Diamond 0.5747033E-03 Metallicity 0.6647966E+00 Ellipticity -0.1450822E+01 Gb(Abramov) 0.5201161E-02 Vb(Abramov) -0.3712434E-02 Hb(Abramov) 0.1488727E-02 Ex_ueg -0.9951655E-03 Ec_ueg -0.2354179E-03 Delta_ex -0.1180065E-02 Delta_ec 0.4082077E-03 Delta_et -0.2621434E-02 Pxc 0.4227230E+01 Qxc -0.2890845E+01 3,+1 97 3 +1 1.027830 -0.383526 2.552893 Rho 0.2155045E-01 |GRAD(Rho)| 0.4653923E-15 GRAD(Rho)x 0.4464240E-15 GRAD(Rho)y -0.5979614E-16 GRAD(Rho)z -0.1171324E-15 Laplacian 0.7864138E-01 (-1/4)Del**2(Rho)) -0.1966034E-01 Diamond 0.7681915E-02 Metallicity 0.1462365E+01 Ellipticity -0.2644391E+01 Gb(Abramov) 0.1789866E-01 Vb(Abramov) -0.1613698E-01 Hb(Abramov) 0.1761681E-02 Ex_ueg -0.4429215E-02 Ec_ueg -0.9166541E-03 Delta_ex -0.4608724E-02 Delta_ec 0.1168274E-02 Delta_et -0.9995360E-02 Pxc 0.4831937E+01 Qxc -0.3944898E+01 3,+1 98 3 -1 -0.216800 2.415291 -2.435229 Rho 0.1443083E+00 |GRAD(Rho)| 0.1445408E-13 GRAD(Rho)x 0.1336526E-13 GRAD(Rho)y -0.9730714E-17 GRAD(Rho)z -0.5503654E-14 Laplacian 0.6068481E+00 (-1/4)Del**2(Rho)) -0.1517120E+00 Diamond 0.1186372E+01 Metallicity 0.4508362E+01 Ellipticity 0.1243548E-01 Gb(Abramov) 0.2151368E+00 Vb(Abramov) -0.2785616E+00 Hb(Abramov) -0.6342477E-01 Ex_ueg -0.5590365E-01 Ec_ueg -0.8080165E-02 Delta_ex -0.6468492E-01 Delta_ec 0.1577768E-01 Delta_et -0.2093855E+00 Pxc 0.6918627E+01 Qxc -0.4099774E+01 3,-1 99 3 +1 -0.309722 2.825363 -0.248671 Rho 0.2449976E-01 |GRAD(Rho)| 0.3517155E-15 GRAD(Rho)x -0.2829913E-15 GRAD(Rho)y 0.1627626E-16 GRAD(Rho)z -0.2082183E-15 Laplacian 0.8941052E-01 (-1/4)Del**2(Rho)) -0.2235263E-01 Diamond 0.9898741E-02 Metallicity 0.1592799E+01 Ellipticity -0.2578278E+01 Gb(Abramov) 0.2083563E-01 Vb(Abramov) -0.1931863E-01 Hb(Abramov) 0.1517001E-02 Ex_ueg -0.5255342E-02 Ec_ueg -0.1063561E-02 Delta_ex -0.5366440E-02 Delta_ec 0.1223546E-02 Delta_et -0.1081938E-01 Pxc 0.4941269E+01 Qxc -0.4385972E+01 3,+1 100 3 -1 -0.235198 2.416819 2.351777 Rho 0.1538556E+00 |GRAD(Rho)| 0.1527804E-14 GRAD(Rho)x -0.2875711E-15 GRAD(Rho)y 0.1281391E-14 GRAD(Rho)z -0.7807204E-15 Laplacian 0.6399042E+00 (-1/4)Del**2(Rho)) -0.1599761E+00 Diamond 0.1320289E+01 Metallicity 0.4757225E+01 Ellipticity 0.1194848E-01 Gb(Abramov) 0.2334911E+00 Vb(Abramov) -0.3070061E+00 Hb(Abramov) -0.7351500E-01 Ex_ueg -0.6088862E-01 Ec_ueg -0.8690783E-02 Delta_ex -0.6899047E-01 Delta_ec 0.1584779E-01 Delta_et -0.2110161E+00 Pxc 0.7006114E+01 Qxc -0.4353320E+01 3,-1 101 3 +1 0.630790 3.524751 0.027367 Rho 0.1214496E-01 |GRAD(Rho)| 0.6081056E-13 GRAD(Rho)x -0.5487320E-13 GRAD(Rho)y 0.2615310E-13 GRAD(Rho)z 0.1694825E-14 Laplacian 0.5547074E-01 (-1/4)Del**2(Rho)) -0.1386768E-01 Diamond 0.1793434E-02 Metallicity 0.7971547E+00 Ellipticity -0.1144726E+01 Gb(Abramov) 0.1108757E-01 Vb(Abramov) -0.8307458E-02 Hb(Abramov) 0.2780113E-02 Ex_ueg -0.2061800E-02 Ec_ueg -0.4662649E-03 Delta_ex -0.2602705E-02 Delta_ec 0.4832994E-03 Delta_et -0.3815327E-02 Pxc 0.4421949E+01 Qxc -0.5385285E+01 3,+1 102 3 -1 0.541036 3.381512 -1.518095 Rho 0.1119736E+00 |GRAD(Rho)| 0.9590981E-15 GRAD(Rho)x -0.9249464E-15 GRAD(Rho)y -0.9237741E-16 GRAD(Rho)z -0.2362409E-15 Laplacian 0.4597455E+00 (-1/4)Del**2(Rho)) -0.1149364E+00 Diamond 0.6753245E+00 Metallicity 0.3899018E+01 Ellipticity 0.1726851E-01 Gb(Abramov) 0.1513141E+00 Vb(Abramov) -0.1876918E+00 Hb(Abramov) -0.3637770E-01 Ex_ueg -0.3986019E-01 Ec_ueg -0.6055912E-02 Delta_ex -0.4630290E-01 Delta_ec 0.1302497E-01 Delta_et -0.1661114E+00 Pxc 0.6582030E+01 Qxc -0.3554934E+01 3,-1 103 3 -1 0.521689 3.368195 1.551563 Rho 0.1498375E+00 |GRAD(Rho)| 0.1032703E-15 GRAD(Rho)x 0.8063754E-16 GRAD(Rho)y -0.1585307E-16 GRAD(Rho)z -0.6253814E-16 Laplacian 0.5825653E+00 (-1/4)Del**2(Rho)) -0.1456413E+00 Diamond 0.1180753E+01 Metallicity 0.4999990E+01 Ellipticity 0.4315011E-01 Gb(Abramov) 0.2184618E+00 Vb(Abramov) -0.2912822E+00 Hb(Abramov) -0.7282043E-01 Ex_ueg -0.5877765E-01 Ec_ueg -0.8433110E-02 Delta_ex -0.6256252E-01 Delta_ec 0.1481566E-01 Delta_et -0.1972665E+00 Pxc 0.6969867E+01 Qxc -0.4222730E+01 3,-1 104 3 -1 -0.398440 -3.166523 -1.593653 Rho 0.1145787E+00 |GRAD(Rho)| 0.3607867E-15 GRAD(Rho)x -0.3528265E-15 GRAD(Rho)y -0.6158438E-16 GRAD(Rho)z 0.4344940E-16 Laplacian 0.4504806E+00 (-1/4)Del**2(Rho)) -0.1126202E+00 Diamond 0.6876943E+00 Metallicity 0.4134697E+01 Ellipticity 0.1034229E+00 Gb(Abramov) 0.1526885E+00 Vb(Abramov) -0.1927568E+00 Hb(Abramov) -0.4006832E-01 Ex_ueg -0.4110144E-01 Ec_ueg -0.6216343E-02 Delta_ex -0.4572069E-01 Delta_ec 0.1288516E-01 Delta_et -0.1653232E+00 Pxc 0.6611836E+01 Qxc -0.3548321E+01 3,-1 105 3 -1 -0.047178 0.012684 4.615091 Rho 0.1879781E+00 |GRAD(Rho)| 0.6993840E-11 GRAD(Rho)x 0.5947422E-12 GRAD(Rho)y 0.1102977E-11 GRAD(Rho)z 0.6880663E-11 Laplacian 0.7143805E+00 (-1/4)Del**2(Rho)) -0.1785951E+00 Diamond 0.1901198E+01 Metallicity 0.5950167E+01 Ellipticity 0.2049914E-01 Gb(Abramov) 0.2961752E+00 Vb(Abramov) -0.4137553E+00 Hb(Abramov) -0.1175801E+00 Ex_ueg -0.7952949E-01 Ec_ueg -0.1091757E-01 Delta_ex -0.8118123E-01 Delta_ec 0.1713892E-01 Delta_et -0.2344458E+00 Pxc 0.7284544E+01 Qxc -0.4736659E+01 3,-1 106 3 -1 0.659570 -4.005878 2.244263 Rho 0.2159995E+00 |GRAD(Rho)| 0.2869771E-13 GRAD(Rho)x -0.5551007E-14 GRAD(Rho)y 0.2617931E-13 GRAD(Rho)z -0.1036286E-13 Laplacian 0.7981244E+00 (-1/4)Del**2(Rho)) -0.1995311E+00 Diamond 0.2496144E+01 Metallicity 0.6713728E+01 Ellipticity 0.6185187E-02 Gb(Abramov) 0.3562870E+00 Vb(Abramov) -0.5130429E+00 Hb(Abramov) -0.1567559E+00 Ex_ueg -0.9571691E-01 Ec_ueg -0.1279583E-01 Delta_ex -0.9388590E-01 Delta_ec 0.1828087E-01 Delta_et -0.2523507E+00 Pxc 0.7480322E+01 Qxc -0.5135745E+01 3,-1 107 3 -1 0.012131 0.782868 -0.006705 Rho 0.1617634E+00 |GRAD(Rho)| 0.4334311E-13 GRAD(Rho)x -0.1117075E-13 GRAD(Rho)y -0.4187276E-13 GRAD(Rho)z -0.7156819E-15 Laplacian 0.3895776E+00 (-1/4)Del**2(Rho)) -0.9739441E-01 Diamond 0.8823057E+00 Metallicity 0.8494798E+01 Ellipticity 0.9229201E-02 Gb(Abramov) 0.2028206E+00 Vb(Abramov) -0.3082467E+00 Hb(Abramov) -0.1054262E+00 Ex_ueg -0.6509668E-01 Ec_ueg -0.9200747E-02 Delta_ex -0.4278579E-01 Delta_ec 0.9986523E-02 Delta_et -0.1350165E+00 Pxc 0.7075152E+01 Qxc -0.4284353E+01 3,-1 108 3 +1 1.517215 1.380636 -2.249917 Rho 0.4389233E-02 |GRAD(Rho)| 0.1031836E-15 GRAD(Rho)x 0.1804045E-16 GRAD(Rho)y -0.8290642E-16 GRAD(Rho)z -0.5871900E-16 Laplacian 0.1665689E-01 (-1/4)Del**2(Rho)) -0.4164222E-02 Diamond 0.3073029E-03 Metallicity 0.4867810E+00 Ellipticity -0.2502732E+01 Gb(Abramov) 0.3113992E-02 Vb(Abramov) -0.2063762E-02 Hb(Abramov) 0.1050230E-02 Ex_ueg -0.5307662E-03 Ec_ueg -0.1207244E-03 Delta_ex -0.7870905E-03 Delta_ec 0.4875215E-03 Delta_et -0.2561065E-02 Pxc 0.4396510E+01 Qxc -0.1614474E+01 3,+1 109 3 -1 -0.050108 0.868171 -3.342451 Rho 0.1074201E+00 |GRAD(Rho)| 0.3142519E-15 GRAD(Rho)x 0.4693240E-16 GRAD(Rho)y 0.2913522E-15 GRAD(Rho)z 0.1080069E-15 Laplacian 0.4529475E+00 (-1/4)Del**2(Rho)) -0.1132369E+00 Diamond 0.6361241E+00 Metallicity 0.3692958E+01 Ellipticity 0.1443550E-01 Gb(Abramov) 0.1451877E+00 Vb(Abramov) -0.1771386E+00 Hb(Abramov) -0.3195088E-01 Ex_ueg -0.3771368E-01 Ec_ueg -0.5776684E-02 Delta_ex -0.4522863E-01 Delta_ec 0.1304149E-01 Delta_et -0.1651092E+00 Pxc 0.6528604E+01 Qxc -0.3468058E+01 3,-1 110 3 +1 0.914319 2.561581 0.647435 Rho 0.2627355E-01 |GRAD(Rho)| 0.6228552E-16 GRAD(Rho)x 0.5701239E-17 GRAD(Rho)y 0.6002151E-16 GRAD(Rho)z 0.1563330E-16 Laplacian 0.1027047E+00 (-1/4)Del**2(Rho)) -0.2567618E-01 Diamond 0.1465532E-01 Metallicity 0.1557952E+01 Ellipticity -0.4422224E+01 Gb(Abramov) 0.2378450E-01 Vb(Abramov) -0.2189281E-01 Hb(Abramov) 0.1891684E-02 Ex_ueg -0.5768685E-02 Ec_ueg -0.1153047E-02 Delta_ex -0.6500752E-02 Delta_ec 0.1792097E-02 Delta_et -0.1600217E-01 Pxc 0.5002992E+01 Qxc -0.3627455E+01 3,+1 111 3 +3 1.118303 1.032696 1.684009 Rho 0.3989646E-02 |GRAD(Rho)| 0.1486897E-15 GRAD(Rho)x 0.7806810E-16 GRAD(Rho)y -0.8443380E-16 GRAD(Rho)z 0.9425991E-16 Laplacian 0.1628926E-01 (-1/4)Del**2(Rho)) -0.4072315E-02 Diamond 0.1154269E-03 Metallicity 0.4245568E+00 Ellipticity -0.3344315E+00 Gb(Abramov) 0.3003031E-02 Vb(Abramov) -0.1933748E-02 Hb(Abramov) 0.1069283E-02 Ex_ueg -0.4673378E-03 Ec_ueg -0.1036957E-03 Delta_ex -0.5688404E-03 Delta_ec 0.1431537E-03 Delta_et -0.8786780E-03 Pxc 0.4506821E+01 Qxc -0.3973633E+01 3,+3 112 3 -1 0.345915 -2.611957 -2.808077 Rho 0.1434809E+00 |GRAD(Rho)| 0.4205544E-14 GRAD(Rho)x -0.2867403E-14 GRAD(Rho)y -0.1281351E-14 GRAD(Rho)z 0.2796916E-14 Laplacian 0.5781263E+00 (-1/4)Del**2(Rho)) -0.1445316E+00 Diamond 0.1128837E+01 Metallicity 0.4687204E+01 Ellipticity 0.4018126E-01 Gb(Abramov) 0.2092626E+00 Vb(Abramov) -0.2739935E+00 Hb(Abramov) -0.6473097E-01 Ex_ueg -0.5547668E-01 Ec_ueg -0.8027512E-02 Delta_ex -0.6160473E-01 Delta_ec 0.1517271E-01 Delta_et -0.2014407E+00 Pxc 0.6910819E+01 Qxc -0.4060233E+01 3,-1 113 3 -1 0.543027 -1.886108 -1.641581 Rho 0.4027293E-01 |GRAD(Rho)| 0.3087200E-16 GRAD(Rho)x -0.3760826E-18 GRAD(Rho)y 0.8704958E-17 GRAD(Rho)z 0.2961693E-16 Laplacian 0.1673032E+00 (-1/4)Del**2(Rho)) -0.4182579E-01 Diamond 0.6784101E-01 Metallicity 0.1948937E+01 Ellipticity 0.2927148E-01 Gb(Abramov) 0.4146983E-01 Vb(Abramov) -0.4111387E-01 Hb(Abramov) 0.3559608E-03 Ex_ueg -0.1019536E-01 Ec_ueg -0.1884711E-02 Delta_ex -0.1331361E-01 Delta_ec 0.5469222E-02 Delta_et -0.5451123E-01 Pxc 0.5409511E+01 Qxc -0.2434279E+01 3,-1 114 3 -1 0.453592 -1.921103 1.607728 Rho 0.4484145E-01 |GRAD(Rho)| 0.1224568E-12 GRAD(Rho)x 0.1509916E-15 GRAD(Rho)y -0.1190738E-12 GRAD(Rho)z 0.2858440E-13 Laplacian 0.1722445E+00 (-1/4)Del**2(Rho)) -0.4306112E-01 Diamond 0.7466542E-01 Metallicity 0.2264300E+01 Ellipticity 0.5003796E-01 Gb(Abramov) 0.4495796E-01 Vb(Abramov) -0.4685480E-01 Hb(Abramov) -0.1896841E-02 Ex_ueg -0.1176588E-01 Ec_ueg -0.2131777E-02 Delta_ex -0.1376426E-01 Delta_ec 0.5079743E-02 Delta_et -0.5203982E-01 Pxc 0.5519284E+01 Qxc -0.2709637E+01 3,-1 115 3 -1 0.326353 -2.599872 2.757813 Rho 0.1454642E+00 |GRAD(Rho)| 0.6194346E-15 GRAD(Rho)x 0.6384257E-16 GRAD(Rho)y -0.2987248E-15 GRAD(Rho)z -0.5388756E-15 Laplacian 0.5663771E+00 (-1/4)Del**2(Rho)) -0.1415943E+00 Diamond 0.1103396E+01 Metallicity 0.4895167E+01 Ellipticity 0.3571951E-01 Gb(Abramov) 0.2099175E+00 Vb(Abramov) -0.2782406E+00 Hb(Abramov) -0.6832318E-01 Ex_ueg -0.5650147E-01 Ec_ueg -0.8153790E-02 Delta_ex -0.6033800E-01 Delta_ec 0.1442781E-01 Delta_et -0.1911138E+00 Pxc 0.6929473E+01 Qxc -0.4182063E+01 3,-1 116 3 +1 1.024928 -0.387536 -2.602024 Rho 0.2129472E-01 |GRAD(Rho)| 0.1515533E-14 GRAD(Rho)x 0.1105832E-14 GRAD(Rho)y 0.2534543E-15 GRAD(Rho)z -0.1004857E-14 Laplacian 0.7564514E-01 (-1/4)Del**2(Rho)) -0.1891129E-01 Diamond 0.7276141E-02 Metallicity 0.1490339E+01 Ellipticity -0.2854194E+01 Gb(Abramov) 0.1730490E-01 Vb(Abramov) -0.1569851E-01 Hb(Abramov) 0.1606389E-02 Ex_ueg -0.4359274E-02 Ec_ueg -0.9040321E-03 Delta_ex -0.4419894E-02 Delta_ec 0.1125566E-02 Delta_et -0.9601857E-02 Pxc 0.4822035E+01 Qxc -0.3926819E+01 3,+1 117 3 +3 1.321433 -1.404569 -2.734714 Rho 0.1077147E-01 |GRAD(Rho)| 0.7027628E-14 GRAD(Rho)x 0.4720001E-14 GRAD(Rho)y -0.4045698E-14 GRAD(Rho)z 0.3277417E-14 Laplacian 0.4115623E-01 (-1/4)Del**2(Rho)) -0.1028906E-01 Diamond 0.7243515E-03 Metallicity 0.8796347E+00 Ellipticity -0.6966739E+00 Gb(Abramov) 0.8367808E-02 Vb(Abramov) -0.6446557E-02 Hb(Abramov) 0.1921251E-02 Ex_ueg -0.1756918E-02 Ec_ueg -0.4031569E-03 Delta_ex -0.1733506E-02 Delta_ec 0.1183461E-03 Delta_et -0.1200992E-02 Pxc 0.4357903E+01 Qxc -0.1464776E+02 3,+3 118 3 +3 1.770345 0.336105 -0.047179 Rho 0.4119335E-02 |GRAD(Rho)| 0.6700955E-16 GRAD(Rho)x 0.5990242E-16 GRAD(Rho)y 0.1882501E-16 GRAD(Rho)z -0.2340082E-16 Laplacian 0.1583719E-01 (-1/4)Del**2(Rho)) -0.3959297E-02 Diamond 0.1020744E-03 Metallicity 0.4605892E+00 Ellipticity -0.4936227E+00 Gb(Abramov) 0.2943466E-02 Vb(Abramov) -0.1927635E-02 Hb(Abramov) 0.1015831E-02 Ex_ueg -0.4877021E-03 Ec_ueg -0.1092133E-03 Delta_ex -0.5393916E-03 Delta_ec 0.1067180E-03 Delta_et -0.7078867E-03 Pxc 0.4465591E+01 Qxc -0.5054365E+01 3,+3 119 3 +1 1.456391 1.338938 2.218526 Rho 0.4899342E-02 |GRAD(Rho)| 0.2737257E-17 GRAD(Rho)x -0.1205878E-17 GRAD(Rho)y 0.1931356E-17 GRAD(Rho)z -0.1519308E-17 Laplacian 0.1942943E-01 (-1/4)Del**2(Rho)) -0.4857357E-02 Diamond 0.4169470E-03 Metallicity 0.5012442E+00 Ellipticity -0.2457171E+01 Gb(Abramov) 0.3644025E-02 Vb(Abramov) -0.2430693E-02 Hb(Abramov) 0.1213332E-02 Ex_ueg -0.6145663E-03 Ec_ueg -0.1425836E-03 Delta_ex -0.9394033E-03 Delta_ec 0.5710542E-03 Delta_et -0.3098933E-02 Pxc 0.4310216E+01 Qxc -0.1645034E+01 3,+1 120 3 -1 1.353449 2.085415 -0.001546 Rho 0.4603265E-01 |GRAD(Rho)| 0.6539761E-13 GRAD(Rho)x 0.5936474E-13 GRAD(Rho)y 0.2742241E-13 GRAD(Rho)z -0.8291469E-15 Laplacian 0.1770154E+00 (-1/4)Del**2(Rho)) -0.4425384E-01 Diamond 0.7939784E-01 Metallicity 0.2301683E+01 Ellipticity 0.3007697E-01 Gb(Abramov) 0.4647895E-01 Vb(Abramov) -0.4870405E-01 Hb(Abramov) -0.2225103E-02 Ex_ueg -0.1218446E-01 Ec_ueg -0.2196776E-02 Delta_ex -0.1423295E-01 Delta_ec 0.5209095E-02 Delta_et -0.5373357E-01 Pxc 0.5546520E+01 Qxc -0.2732327E+01 3,-1 121 3 -1 0.801316 -3.216400 -0.877344 Rho 0.9942701E-01 |GRAD(Rho)| 0.2661779E-15 GRAD(Rho)x -0.4726444E-18 GRAD(Rho)y 0.4253884E-16 GRAD(Rho)z 0.2627564E-15 Laplacian 0.4270426E+00 (-1/4)Del**2(Rho)) -0.1067606E+00 Diamond 0.5462790E+00 Metallicity 0.3443362E+01 Ellipticity 0.2453718E-01 Gb(Abramov) 0.1324430E+00 Vb(Abramov) -0.1581254E+00 Hb(Abramov) -0.2568237E-01 Ex_ueg -0.3401921E-01 Ec_ueg -0.5290356E-02 Delta_ex -0.4188529E-01 Delta_ec 0.1250247E-01 Delta_et -0.1558298E+00 Pxc 0.6430421E+01 Qxc -0.3350161E+01 3,-1 122 3 -1 0.735271 -3.222740 0.919598 Rho 0.1589574E+00 |GRAD(Rho)| 0.6188997E-14 GRAD(Rho)x -0.1585639E-14 GRAD(Rho)y 0.1402009E-16 GRAD(Rho)z 0.5982411E-14 Laplacian 0.6449655E+00 (-1/4)Del**2(Rho)) -0.1612414E+00 Diamond 0.1392465E+01 Metallicity 0.4983618E+01 Ellipticity 0.9257116E-02 Gb(Abramov) 0.2414218E+00 Vb(Abramov) -0.3216022E+00 Hb(Abramov) -0.8018043E-01 Ex_ueg -0.6359546E-01 Ec_ueg -0.9019362E-02 Delta_ex -0.7018004E-01 Delta_ec 0.1598244E-01 Delta_et -0.2140529E+00 Pxc 0.7050994E+01 Qxc -0.4391072E+01 3,-1 123 3 -1 1.615858 -2.787811 -2.027819 Rho 0.1223311E+00 |GRAD(Rho)| 0.6589843E-16 GRAD(Rho)x 0.4149784E-16 GRAD(Rho)y 0.4253461E-16 GRAD(Rho)z -0.2848402E-16 Laplacian 0.5016534E+00 (-1/4)Del**2(Rho)) -0.1254134E+00 Diamond 0.8139124E+00 Metallicity 0.4140990E+01 Ellipticity 0.1201913E-01 Gb(Abramov) 0.1701648E+00 Vb(Abramov) -0.2149163E+00 Hb(Abramov) -0.4475145E-01 Ex_ueg -0.4485053E-01 Ec_ueg -0.6696621E-02 Delta_ex -0.5151224E-01 Delta_ec 0.1379548E-01 Delta_et -0.1786268E+00 Pxc 0.6697486E+01 Qxc -0.3733995E+01 3,-1 124 3 +1 2.990823 0.580533 -0.020809 Rho 0.1233666E-01 |GRAD(Rho)| 0.2353866E-16 GRAD(Rho)x -0.4096385E-17 GRAD(Rho)y 0.2224909E-16 GRAD(Rho)z -0.6501272E-17 Laplacian 0.5965435E-01 (-1/4)Del**2(Rho)) -0.1491359E-01 Diamond 0.2424059E-02 Metallicity 0.7608527E+00 Ellipticity -0.1284485E+01 Gb(Abramov) 0.1183357E-01 Vb(Abramov) -0.8753544E-02 Hb(Abramov) 0.3080022E-02 Ex_ueg -0.2105307E-02 Ec_ueg -0.4751328E-03 Delta_ex -0.2937410E-02 Delta_ec 0.7450909E-03 Delta_et -0.5646946E-02 Pxc 0.4430986E+01 Qxc -0.3942351E+01 3,+1 125 3 +1 1.456560 -1.473127 2.926163 Rho 0.1129191E-01 |GRAD(Rho)| 0.4144167E-17 GRAD(Rho)x 0.5911464E-19 GRAD(Rho)y 0.1433816E-17 GRAD(Rho)z -0.3887775E-17 Laplacian 0.5007614E-01 (-1/4)Del**2(Rho)) -0.1251904E-01 Diamond 0.1572494E-02 Metallicity 0.7820988E+00 Ellipticity -0.1202650E+01 Gb(Abramov) 0.9977877E-02 Vb(Abramov) -0.7436719E-02 Hb(Abramov) 0.2541158E-02 Ex_ueg -0.1871006E-02 Ec_ueg -0.4269808E-03 Delta_ex -0.2336651E-02 Delta_ec 0.4969223E-03 Delta_et -0.3792219E-02 Pxc 0.4381944E+01 Qxc -0.4702246E+01 3,+1 126 3 +3 1.532796 -1.594045 -0.026242 Rho 0.4184179E-02 |GRAD(Rho)| 0.3916932E-16 GRAD(Rho)x 0.1582311E-16 GRAD(Rho)y -0.1079555E-16 GRAD(Rho)z 0.3416608E-16 Laplacian 0.1697665E-01 (-1/4)Del**2(Rho)) -0.4244163E-02 Diamond 0.1200107E-03 Metallicity 0.4410063E+00 Ellipticity -0.3174749E+00 Gb(Abramov) 0.3141393E-02 Vb(Abramov) -0.2038622E-02 Hb(Abramov) 0.1102771E-02 Ex_ueg -0.4979648E-03 Ec_ueg -0.1119754E-03 Delta_ex -0.5902926E-03 Delta_ec 0.1317274E-03 Delta_et -0.8435033E-03 Pxc 0.4447091E+01 Qxc -0.4481169E+01 3,+3 127 3 +1 1.424915 -1.501802 -2.912981 Rho 0.1088746E-01 |GRAD(Rho)| 0.5129520E-17 GRAD(Rho)x 0.3784661E-18 GRAD(Rho)y 0.2536996E-17 GRAD(Rho)z -0.4442116E-17 Laplacian 0.4202699E-01 (-1/4)Del**2(Rho)) -0.1050675E-01 Diamond 0.1071363E-02 Metallicity 0.8769253E+00 Ellipticity -0.1174837E+01 Gb(Abramov) 0.8540104E-02 Vb(Abramov) -0.6573461E-02 Hb(Abramov) 0.1966644E-02 Ex_ueg -0.1782190E-02 Ec_ueg -0.4084571E-03 Delta_ex -0.1881257E-02 Delta_ec 0.3091030E-03 Delta_et -0.2453577E-02 Pxc 0.4363224E+01 Qxc -0.6086182E+01 3,+1 128 3 +1 1.423879 -1.638498 1.746501 Rho 0.2142562E-01 |GRAD(Rho)| 0.1035470E-15 GRAD(Rho)x -0.6943003E-16 GRAD(Rho)y -0.7677610E-16 GRAD(Rho)z 0.2623588E-17 Laplacian 0.8100486E-01 (-1/4)Del**2(Rho)) -0.2025121E-01 Diamond 0.8927501E-02 Metallicity 0.1406019E+01 Ellipticity -0.4060729E+01 Gb(Abramov) 0.1824641E-01 Vb(Abramov) -0.1624160E-01 Hb(Abramov) 0.2004807E-02 Ex_ueg -0.4395041E-02 Ec_ueg -0.9104907E-03 Delta_ex -0.4883596E-02 Delta_ec 0.1460118E-02 Delta_et -0.1237756E-01 Pxc 0.4827113E+01 Qxc -0.3344659E+01 3,+1 129 3 +3 1.316653 -1.364884 2.690176 Rho 0.1102180E-01 |GRAD(Rho)| 0.1630273E-16 GRAD(Rho)x -0.1309012E-16 GRAD(Rho)y 0.3848848E-18 GRAD(Rho)z 0.9709766E-17 Laplacian 0.4822535E-01 (-1/4)Del**2(Rho)) -0.1205634E-01 Diamond 0.9726483E-03 Metallicity 0.7799950E+00 Ellipticity -0.5901827E+00 Gb(Abramov) 0.9604872E-02 Vb(Abramov) -0.7153407E-02 Hb(Abramov) 0.2451465E-02 Ex_ueg -0.1811569E-02 Ec_ueg -0.4146021E-03 Delta_ex -0.2076246E-02 Delta_ec 0.1941819E-03 Delta_et -0.1772069E-02 Pxc 0.4369416E+01 Qxc -0.1069228E+02 3,+3 130 3 -1 1.027149 -0.110154 3.520157 Rho 0.6966675E-01 |GRAD(Rho)| 0.8927255E-11 GRAD(Rho)x 0.8869762E-11 GRAD(Rho)y 0.2409810E-12 GRAD(Rho)z -0.9824075E-12 Laplacian 0.2943206E+00 (-1/4)Del**2(Rho)) -0.7358015E-01 Diamond 0.2427628E+00 Metallicity 0.2761648E+01 Ellipticity 0.8386443E-02 Gb(Abramov) 0.8292052E-01 Vb(Abramov) -0.9226089E-01 Hb(Abramov) -0.9340367E-02 Ex_ueg -0.2117154E-01 Ec_ueg -0.3527822E-02 Delta_ex -0.2659964E-01 Delta_ec 0.9169907E-02 Delta_et -0.1054490E+00 Pxc 0.6001306E+01 Qxc -0.2900753E+01 3,-1 131 3 -1 1.898615 3.085925 0.739868 Rho 0.1137103E+00 |GRAD(Rho)| 0.1967492E-15 GRAD(Rho)x -0.1063196E-16 GRAD(Rho)y 0.7481673E-16 GRAD(Rho)z 0.1816581E-15 Laplacian 0.4498432E+00 (-1/4)Del**2(Rho)) -0.1124608E+00 Diamond 0.6512885E+00 Metallicity 0.4088381E+01 Ellipticity 0.3699735E-01 Gb(Abramov) 0.1516043E+00 Vb(Abramov) -0.1907478E+00 Hb(Abramov) -0.3914350E-01 Ex_ueg -0.4068658E-01 Ec_ueg -0.6162805E-02 Delta_ex -0.4515442E-01 Delta_ec 0.1213828E-01 Delta_et -0.1544413E+00 Pxc 0.6601959E+01 Qxc -0.3720002E+01 3,-1 132 3 -1 2.496552 -0.345282 2.715005 Rho 0.1779102E+00 |GRAD(Rho)| 0.4618886E-12 GRAD(Rho)x -0.3905468E-12 GRAD(Rho)y -0.1343829E-12 GRAD(Rho)z -0.2067740E-12 Laplacian 0.6876223E+00 (-1/4)Del**2(Rho)) -0.1719056E+00 Diamond 0.1700406E+01 Metallicity 0.5639810E+01 Ellipticity 0.2797118E-01 Gb(Abramov) 0.2761895E+00 Vb(Abramov) -0.3804734E+00 Hb(Abramov) -0.1042839E+00 Ex_ueg -0.7390140E-01 Ec_ueg -0.1025351E-01 Delta_ex -0.7696443E-01 Delta_ec 0.1656175E-01 Delta_et -0.2247560E+00 Pxc 0.7207426E+01 Qxc -0.4647121E+01 3,-1 133 3 -1 2.492265 -0.357857 -2.800774 Rho 0.1601990E+00 |GRAD(Rho)| 0.1995538E-11 GRAD(Rho)x -0.4380507E-12 GRAD(Rho)y 0.5945959E-12 GRAD(Rho)z -0.1853845E-11 Laplacian 0.6324844E+00 (-1/4)Del**2(Rho)) -0.1581211E+00 Diamond 0.1399871E+01 Metallicity 0.5148290E+01 Ellipticity 0.2852151E-01 Gb(Abramov) 0.2410896E+00 Vb(Abramov) -0.3240581E+00 Hb(Abramov) -0.8296851E-01 Ex_ueg -0.6425863E-01 Ec_ueg -0.9099561E-02 Delta_ex -0.6915150E-01 Delta_ec 0.1599300E-01 Delta_et -0.2153016E+00 Pxc 0.7061728E+01 Qxc -0.4323861E+01 3,-1 134 3 -1 1.924324 3.113107 -0.685926 Rho 0.1437370E+00 |GRAD(Rho)| 0.1082211E-15 GRAD(Rho)x -0.4366624E-16 GRAD(Rho)y 0.5773377E-17 GRAD(Rho)z 0.9885213E-16 Laplacian 0.5652592E+00 (-1/4)Del**2(Rho)) -0.1413148E+00 Diamond 0.1082013E+01 Metallicity 0.4808169E+01 Ellipticity 0.3450205E-01 Gb(Abramov) 0.2074541E+00 Vb(Abramov) -0.2735934E+00 Hb(Abramov) -0.6613930E-01 Ex_ueg -0.5560874E-01 Ec_ueg -0.8043804E-02 Delta_ex -0.6000598E-01 Delta_ec 0.1437550E-01 Delta_et -0.1899486E+00 Pxc 0.6913240E+01 Qxc -0.4174182E+01 3,-1 135 3 -1 2.717922 -1.606626 2.037292 Rho 0.1748788E+00 |GRAD(Rho)| 0.7610083E-16 GRAD(Rho)x -0.6230097E-16 GRAD(Rho)y -0.3420658E-16 GRAD(Rho)z 0.2719992E-16 Laplacian 0.6743053E+00 (-1/4)Del**2(Rho)) -0.1685763E+00 Diamond 0.1643212E+01 Metallicity 0.5588801E+01 Ellipticity 0.4570895E-01 Gb(Abramov) 0.2694075E+00 Vb(Abramov) -0.3702386E+00 Hb(Abramov) -0.1008311E+00 Ex_ueg -0.7222730E-01 Ec_ueg -0.1005471E-01 Delta_ex -0.7522803E-01 Delta_ec 0.1645649E-01 Delta_et -0.2233295E+00 Pxc 0.7183430E+01 Qxc -0.4571330E+01 3,-1 136 3 -1 1.725063 -0.657843 -1.659139 Rho 0.3094179E-01 |GRAD(Rho)| 0.8177650E-16 GRAD(Rho)x 0.8164402E-16 GRAD(Rho)y 0.4183026E-17 GRAD(Rho)z -0.2037485E-17 Laplacian 0.1244825E+00 (-1/4)Del**2(Rho)) -0.3112062E-01 Diamond 0.3460799E-01 Metallicity 0.1688162E+01 Ellipticity 0.6773076E-01 Gb(Abramov) 0.2950318E-01 Vb(Abramov) -0.2788575E-01 Hb(Abramov) 0.1617433E-02 Ex_ueg -0.7174291E-02 Ec_ueg -0.1392287E-02 Delta_ex -0.9242489E-02 Delta_ec 0.3975393E-02 Delta_et -0.3681839E-01 Pxc 0.5152880E+01 Qxc -0.2324924E+01 3,-1 137 3 -1 3.099627 -0.778095 0.912996 Rho 0.1549949E+00 |GRAD(Rho)| 0.2390373E-15 GRAD(Rho)x -0.7528768E-16 GRAD(Rho)y -0.9554532E-18 GRAD(Rho)z 0.2268693E-15 Laplacian 0.6436071E+00 (-1/4)Del**2(Rho)) -0.1609018E+00 Diamond 0.1346320E+01 Metallicity 0.4788372E+01 Ellipticity 0.1532542E-01 Gb(Abramov) 0.2356775E+00 Vb(Abramov) -0.3104531E+00 Hb(Abramov) -0.7477567E-01 Ex_ueg -0.6149052E-01 Ec_ueg -0.8764021E-02 Delta_ex -0.6957927E-01 Delta_ec 0.1602171E-01 Delta_et -0.2138113E+00 Pxc 0.7016245E+01 Qxc -0.4342811E+01 3,-1 138 3 -1 1.706640 -0.705673 1.635733 Rho 0.3087045E-01 |GRAD(Rho)| 0.1003191E-12 GRAD(Rho)x -0.9256360E-13 GRAD(Rho)y -0.3476492E-13 GRAD(Rho)z -0.1695017E-13 Laplacian 0.1139790E+00 (-1/4)Del**2(Rho)) -0.2849474E-01 Diamond 0.2828764E-01 Metallicity 0.1836652E+01 Ellipticity 0.8459211E-01 Gb(Abramov) 0.2771898E-01 Vb(Abramov) -0.2694322E-01 Hb(Abramov) 0.7757620E-03 Ex_ueg -0.7152245E-02 Ec_ueg -0.1388593E-02 Delta_ex -0.8187345E-02 Delta_ec 0.3156828E-02 Delta_et -0.2923477E-01 Pxc 0.5150714E+01 Qxc -0.2593535E+01 3,-1 139 3 -1 3.106586 -0.758879 -0.904676 Rho 0.1079222E+00 |GRAD(Rho)| 0.5330563E-16 GRAD(Rho)x 0.2914132E-16 GRAD(Rho)y 0.1514834E-16 GRAD(Rho)z 0.4198573E-16 Laplacian 0.4726213E+00 (-1/4)Del**2(Rho)) -0.1181553E+00 Diamond 0.6665998E+00 Metallicity 0.3566845E+01 Ellipticity 0.2071824E-01 Gb(Abramov) 0.1490105E+00 Vb(Abramov) -0.1798657E+00 Hb(Abramov) -0.3085518E-01 Ex_ueg -0.3794890E-01 Ec_ueg -0.5807397E-02 Delta_ex -0.4723050E-01 Delta_ec 0.1356927E-01 Delta_et -0.1719164E+00 Pxc 0.6534580E+01 Qxc -0.3480696E+01 3,-1 140 3 -1 2.983346 0.428166 -1.623987 Rho 0.9436423E-01 |GRAD(Rho)| 0.1321500E-13 GRAD(Rho)x 0.1358932E-14 GRAD(Rho)y -0.1223274E-13 GRAD(Rho)z -0.4811388E-14 Laplacian 0.4116257E+00 (-1/4)Del**2(Rho)) -0.1029064E+00 Diamond 0.4998753E+00 Metallicity 0.3274334E+01 Ellipticity 0.7698206E-02 Gb(Abramov) 0.1247626E+00 Vb(Abramov) -0.1466188E+00 Hb(Abramov) -0.2185620E-01 Ex_ueg -0.3172938E-01 Ec_ueg -0.4984941E-02 Delta_ex -0.3999456E-01 Delta_ec 0.1236851E-01 Delta_et -0.1526740E+00 Pxc 0.6365047E+01 Qxc -0.3233578E+01 3,-1 141 3 -1 2.924748 0.372395 1.594132 Rho 0.1051005E+00 |GRAD(Rho)| 0.9884657E-13 GRAD(Rho)x -0.7240759E-14 GRAD(Rho)y 0.9407294E-13 GRAD(Rho)z -0.2947027E-13 Laplacian 0.4311629E+00 (-1/4)Del**2(Rho)) -0.1077907E+00 Diamond 0.5714588E+00 Metallicity 0.3740929E+01 Ellipticity 0.1175912E-01 Gb(Abramov) 0.1390667E+00 Vb(Abramov) -0.1703427E+00 Hb(Abramov) -0.3127600E-01 Ex_ueg -0.3663177E-01 Ec_ueg -0.5635042E-02 Delta_ex -0.4254216E-01 Delta_ec 0.1194967E-01 Delta_et -0.1499676E+00 Pxc 0.6500709E+01 Qxc -0.3560111E+01 3,-1 142 3 -1 3.263266 3.147073 0.050726 Rho 0.2215877E+00 |GRAD(Rho)| 0.6841500E-13 GRAD(Rho)x -0.1188882E-13 GRAD(Rho)y 0.4509804E-13 GRAD(Rho)z 0.5005432E-13 Laplacian 0.8204931E+00 (-1/4)Del**2(Rho)) -0.2051233E+00 Diamond 0.2641188E+01 Metallicity 0.6814717E+01 Ellipticity 0.2817426E-02 Gb(Abramov) 0.3697250E+00 Vb(Abramov) -0.5343268E+00 Hb(Abramov) -0.1646017E+00 Ex_ueg -0.9903287E-01 Ec_ueg -0.1317562E-01 Delta_ex -0.9712627E-01 Delta_ec 0.1860507E-01 Delta_et -0.2570123E+00 Pxc 0.7516373E+01 Qxc -0.5220420E+01 3,-1 143 3 -1 3.938782 -0.648321 -2.269363 Rho 0.1946358E+00 |GRAD(Rho)| 0.2238855E-10 GRAD(Rho)x -0.2130850E-10 GRAD(Rho)y 0.7154057E-12 GRAD(Rho)z 0.6832505E-11 Laplacian 0.7319046E+00 (-1/4)Del**2(Rho)) -0.1829762E+00 Diamond 0.2027682E+01 Metallicity 0.6154554E+01 Ellipticity 0.4034519E-02 Gb(Abramov) 0.3096735E+00 Vb(Abramov) -0.4363709E+00 Hb(Abramov) -0.1266974E+00 Ex_ueg -0.8330710E-01 Ec_ueg -0.1135985E-01 Delta_ex -0.8388641E-01 Delta_ec 0.1735425E-01 Delta_et -0.2380252E+00 Pxc 0.7333470E+01 Qxc -0.4833769E+01 3,-1 144 3 -1 3.910958 -0.670175 2.222560 Rho 0.2187160E+00 |GRAD(Rho)| 0.1862326E-10 GRAD(Rho)x 0.1765570E-10 GRAD(Rho)y -0.1753985E-12 GRAD(Rho)z 0.5922129E-11 Laplacian 0.7952971E+00 (-1/4)Del**2(Rho)) -0.1988243E+00 Diamond 0.2530325E+01 Metallicity 0.6879414E+01 Ellipticity 0.6846684E-02 Gb(Abramov) 0.3605153E+00 Vb(Abramov) -0.5222063E+00 Hb(Abramov) -0.1616910E+00 Ex_ueg -0.9732533E-01 Ec_ueg -0.1298024E-01 Delta_ex -0.9388766E-01 Delta_ec 0.1820945E-01 Delta_et -0.2517830E+00 Pxc 0.7497963E+01 Qxc -0.5155986E+01 3,-1 145 3 -1 -2.181820 1.613242 1.213280 Rho 0.3119856E+00 |GRAD(Rho)| 0.7051346E-15 GRAD(Rho)x -0.6011362E-15 GRAD(Rho)y -0.3671494E-15 GRAD(Rho)z -0.3242590E-16 Laplacian -0.1555061E+01 (-1/4)Del**2(Rho)) 0.3887654E+00 Diamond 0.5351892E+01 Metallicity -0.6359502E+01 Ellipticity 0.4020580E-02 Gb(Abramov) 0.1528821E+00 Vb(Abramov) -0.6945296E+00 Hb(Abramov) -0.5416475E+00 Ex_ueg -0.1562780E+00 Ec_ueg -0.1955743E-01 Delta_ex 0.1530204E+00 Delta_ec 0.5479446E-01 Delta_et -0.1285281E+01 Pxc 0.7990721E+01 Qxc 0.2792625E+01 3,-1 146 3 -1 -2.262621 1.666369 -1.271740 Rho 0.3203304E+00 |GRAD(Rho)| 0.3949891E-15 GRAD(Rho)x -0.2458612E-15 GRAD(Rho)y 0.3081125E-15 GRAD(Rho)z -0.2520601E-16 Laplacian -0.1593589E+01 (-1/4)Del**2(Rho)) 0.3983974E+00 Diamond 0.5603288E+01 Metallicity -0.6484855E+01 Ellipticity 0.5663638E-03 Gb(Abramov) 0.1649933E+00 Vb(Abramov) -0.7283839E+00 Hb(Abramov) -0.5633906E+00 Ex_ueg -0.1618760E+00 Ec_ueg -0.2016930E-01 Delta_ex 0.1586606E+00 Delta_ec 0.5577376E-01 Delta_et -0.1323876E+01 Pxc 0.8025864E+01 Qxc 0.2844717E+01 3,-1 147 3 -1 -1.324815 -3.204821 0.297873 Rho 0.3528996E-01 |GRAD(Rho)| 0.2422788E-16 GRAD(Rho)x -0.1533235E-18 GRAD(Rho)y -0.1068759E-16 GRAD(Rho)z -0.2174263E-16 Laplacian 0.1072386E+00 (-1/4)Del**2(Rho)) -0.2680965E-01 Diamond 0.4902181E-01 Metallicity 0.2439761E+01 Ellipticity 0.1327009E-01 Gb(Abramov) 0.2877462E-01 Vb(Abramov) -0.3073960E-01 Hb(Abramov) -0.1964973E-02 Ex_ueg -0.8549091E-02 Ec_ueg -0.1619561E-02 Delta_ex -0.9135296E-02 Delta_ec 0.5060584E-02 Delta_et -0.4867774E-01 Pxc 0.5278648E+01 Qxc -0.1805186E+01 3,-1 148 3 +1 0.242931 -1.191404 2.584565 Rho 0.2633540E-01 |GRAD(Rho)| 0.1559092E-11 GRAD(Rho)x 0.9657624E-13 GRAD(Rho)y -0.1448473E-11 GRAD(Rho)z 0.5686529E-12 Laplacian 0.1011464E+00 (-1/4)Del**2(Rho)) -0.2528660E-01 Diamond 0.1279361E-01 Metallicity 0.1588166E+01 Ellipticity -0.2673318E+01 Gb(Abramov) 0.2355095E-01 Vb(Abramov) -0.2181531E-01 Hb(Abramov) 0.1735649E-02 Ex_ueg -0.5786796E-02 Ec_ueg -0.1156182E-02 Delta_ex -0.6235287E-02 Delta_ec 0.1459872E-02 Delta_et -0.1310073E-01 Pxc 0.5005093E+01 Qxc -0.4271119E+01 3,+1 149 3 -1 -0.686452 3.918003 -2.352780 Rho 0.1986469E+00 |GRAD(Rho)| 0.1428558E-15 GRAD(Rho)x 0.3759471E-16 GRAD(Rho)y -0.1172565E-15 GRAD(Rho)z 0.7242471E-16 Laplacian 0.7583380E+00 (-1/4)Del**2(Rho)) -0.1895845E+00 Diamond 0.2143620E+01 Metallicity 0.6145447E+01 Ellipticity 0.6716040E-02 Gb(Abramov) 0.3205699E+00 Vb(Abramov) -0.4515553E+00 Hb(Abramov) -0.1309854E+00 Ex_ueg -0.8560403E-01 Ec_ueg -0.1162752E-01 Delta_ex -0.8730391E-01 Delta_ec 0.1776645E-01 Delta_et -0.2437166E+00 Pxc 0.7362192E+01 Qxc -0.4913977E+01 3,-1 150 3 -1 -0.667745 3.625587 -0.800420 Rho 0.9776044E-01 |GRAD(Rho)| 0.1015781E-14 GRAD(Rho)x -0.6843806E-15 GRAD(Rho)y 0.5878070E-15 GRAD(Rho)z 0.4668168E-15 Laplacian 0.4017634E+00 (-1/4)Del**2(Rho)) -0.1004408E+00 Diamond 0.5003131E+00 Metallicity 0.3558345E+01 Ellipticity 0.6252618E-02 Gb(Abramov) 0.1265278E+00 Vb(Abramov) -0.1526147E+00 Hb(Abramov) -0.2608692E-01 Ex_ueg -0.3326105E-01 Ec_ueg -0.5189588E-02 Delta_ex -0.3919588E-01 Delta_ec 0.1170292E-01 Delta_et -0.1452390E+00 Pxc 0.6409188E+01 Qxc -0.3349240E+01 3,-1 151 3 -1 -0.666794 3.638991 0.838542 Rho 0.1547637E+00 |GRAD(Rho)| 0.5724972E-15 GRAD(Rho)x 0.2795209E-15 GRAD(Rho)y -0.3805414E-15 GRAD(Rho)z 0.3237428E-15 Laplacian 0.6027758E+00 (-1/4)Del**2(Rho)) -0.1506940E+00 Diamond 0.1260246E+01 Metallicity 0.5100028E+01 Ellipticity 0.3566899E-01 Gb(Abramov) 0.2285532E+00 Vb(Abramov) -0.3064125E+00 Hb(Abramov) -0.7785926E-01 Ex_ueg -0.6136828E-01 Ec_ueg -0.8749155E-02 Delta_ex -0.6515626E-01 Delta_ec 0.1503815E-01 Delta_et -0.2007129E+00 Pxc 0.7014195E+01 Qxc -0.4332730E+01 3,-1 152 3 -1 -0.700718 3.881026 2.343996 Rho 0.2232942E+00 |GRAD(Rho)| 0.9860547E-15 GRAD(Rho)x 0.4908454E-15 GRAD(Rho)y -0.6675433E-15 GRAD(Rho)z -0.5345659E-15 Laplacian 0.8318930E+00 (-1/4)Del**2(Rho)) -0.2079732E+00 Diamond 0.2697326E+01 Metallicity 0.6807818E+01 Ellipticity 0.1064530E-01 Gb(Abramov) 0.3746228E+00 Vb(Abramov) -0.5412724E+00 Hb(Abramov) -0.1666496E+00 Ex_ueg -0.1000510E+00 Ec_ueg -0.1329194E-01 Delta_ex -0.9863988E-01 Delta_ec 0.1876591E-01 Delta_et -0.2591174E+00 Pxc 0.7527197E+01 Qxc -0.5256333E+01 3,-1 153 3 +1 0.618626 2.631107 -0.794887 Rho 0.2561279E-01 |GRAD(Rho)| 0.6622484E-15 GRAD(Rho)x -0.5744324E-15 GRAD(Rho)y -0.1473530E-15 GRAD(Rho)z 0.2947667E-15 Laplacian 0.9617757E-01 (-1/4)Del**2(Rho)) -0.2404439E-01 Diamond 0.1177861E-01 Metallicity 0.1594536E+01 Ellipticity -0.2831836E+01 Gb(Abramov) 0.2241953E-01 Vb(Abramov) -0.2079468E-01 Hb(Abramov) 0.1624857E-02 Ex_ueg -0.5576062E-02 Ec_ueg -0.1119617E-02 Delta_ex -0.5891565E-02 Delta_ec 0.1401735E-02 Delta_et -0.1249617E-01 Pxc 0.4980332E+01 Qxc -0.4203053E+01 3,+1 154 3 -1 0.723463 -4.030310 -2.271082 Rho 0.1953429E+00 |GRAD(Rho)| 0.9414306E-11 GRAD(Rho)x -0.1074482E-11 GRAD(Rho)y 0.8825580E-11 GRAD(Rho)z 0.3095768E-11 Laplacian 0.7400815E+00 (-1/4)Del**2(Rho)) -0.1850204E+00 Diamond 0.2056780E+01 Metallicity 0.6123450E+01 Ellipticity 0.4951742E-02 Gb(Abramov) 0.3121741E+00 Vb(Abramov) -0.4393278E+00 Hb(Abramov) -0.1271537E+00 Ex_ueg -0.8371085E-01 Ec_ueg -0.1140697E-01 Delta_ex -0.8488427E-01 Delta_ec 0.1749954E-01 Delta_et -0.2399904E+00 Pxc 0.7338574E+01 Qxc -0.4850656E+01 3,-1 155 3 -1 1.017018 -0.138258 -3.611255 Rho 0.7574716E-01 |GRAD(Rho)| 0.2057774E-15 GRAD(Rho)x 0.2056799E-15 GRAD(Rho)y -0.3375122E-17 GRAD(Rho)z -0.5359177E-17 Laplacian 0.3160071E+00 (-1/4)Del**2(Rho)) -0.7900178E-01 Diamond 0.2861901E+00 Metallicity 0.2957061E+01 Ellipticity 0.8006682E-02 Gb(Abramov) 0.9160336E-01 Vb(Abramov) -0.1042049E+00 Hb(Abramov) -0.1260158E-01 Ex_ueg -0.2367047E-01 Ec_ueg -0.3881084E-02 Delta_ex -0.2903377E-01 Delta_ec 0.9580826E-02 Delta_et -0.1123057E+00 Pxc 0.6098933E+01 Qxc -0.3030404E+01 3,-1 156 3 -1 2.736328 -1.622185 -2.036786 Rho 0.1321181E+00 |GRAD(Rho)| 0.2355645E-15 GRAD(Rho)x -0.1464622E-15 GRAD(Rho)y -0.1827152E-15 GRAD(Rho)z 0.2558548E-16 Laplacian 0.5332889E+00 (-1/4)Del**2(Rho)) -0.1333222E+00 Diamond 0.9506917E+00 Metallicity 0.4428480E+01 Ellipticity 0.1246344E-01 Gb(Abramov) 0.1872839E+00 Vb(Abramov) -0.2412457E+00 Hb(Abramov) -0.5396173E-01 Ex_ueg -0.4969755E-01 Ec_ueg -0.7308842E-02 Delta_ex -0.5579480E-01 Delta_ec 0.1443733E-01 Delta_et -0.1894912E+00 Pxc 0.6799647E+01 Qxc -0.3864620E+01 3,-1 157 3 -1 2.737878 1.927571 -0.706811 Rho 0.1728840E+00 |GRAD(Rho)| 0.2491457E-11 GRAD(Rho)x 0.1820954E-11 GRAD(Rho)y 0.1677015E-11 GRAD(Rho)z 0.2812580E-12 Laplacian 0.7045538E+00 (-1/4)Del**2(Rho)) -0.1761384E+00 Diamond 0.1681721E+01 Metallicity 0.5247554E+01 Ellipticity 0.1806859E-01 Gb(Abramov) 0.2714750E+00 Vb(Abramov) -0.3668115E+00 Hb(Abramov) -0.9533653E-01 Ex_ueg -0.7113086E-01 Ec_ueg -0.9924174E-02 Delta_ex -0.7828050E-01 Delta_ec 0.1707376E-01 Delta_et -0.2309224E+00 Pxc 0.7167434E+01 Qxc -0.4584843E+01 3,-1 158 3 -1 2.686024 1.890226 0.696982 Rho 0.1628384E+00 |GRAD(Rho)| 0.1001339E-12 GRAD(Rho)x 0.2665941E-13 GRAD(Rho)y -0.7417233E-13 GRAD(Rho)z 0.6176190E-13 Laplacian 0.6798819E+00 (-1/4)Del**2(Rho)) -0.1699705E+00 Diamond 0.1504817E+01 Metallicity 0.4921615E+01 Ellipticity 0.2678799E-01 Gb(Abramov) 0.2527352E+00 Vb(Abramov) -0.3354999E+00 Hb(Abramov) -0.8276473E-01 Ex_ueg -0.6567410E-01 Ec_ueg -0.9270358E-02 Delta_ex -0.7436907E-01 Delta_ec 0.1664598E-01 Delta_et -0.2233509E+00 Pxc 0.7084311E+01 Qxc -0.4467689E+01 3,-1 159 3 -1 -1.353399 -3.175837 -0.545026 Rho 0.3208237E+00 |GRAD(Rho)| 0.1254822E-14 GRAD(Rho)x -0.1526542E-15 GRAD(Rho)y -0.1245369E-14 GRAD(Rho)z 0.1819088E-16 Laplacian -0.1576547E+01 (-1/4)Del**2(Rho)) 0.3941366E+00 Diamond 0.5540846E+01 Metallicity -0.6571792E+01 Ellipticity 0.5402150E-02 Gb(Abramov) 0.1689396E+00 Vb(Abramov) -0.7320158E+00 Hb(Abramov) -0.5630762E+00 Ex_ueg -0.1622085E+00 Ec_ueg -0.2020559E-01 Delta_ex 0.1571048E+00 Delta_ec 0.5509481E-01 Delta_et -0.1308886E+01 Pxc 0.8027903E+01 Qxc 0.2851536E+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 69 113 121 104 123 112 154 92 72 77 100 151 103 152 138 137 141 135 132 144 93 109 68 155 88 142 120 157 158 134 131 105 91 70 78 84 130 114 80 122 115 82 106 136 140 139 133 156 143 79 98 76 149 102 150 94 60 64 69 59 61 107 95 147 54 48 51 146 145 159 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 17 19 21 21 21 23 26 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 28 36 45 46 36 36 47 23 23 28 46 45 47 2.449525 2.071327 2.035481 1.999927 1.938328 1.822121 1.841260 2.423778 1.976367 1.906397 1.915100 1.925819 1.769937 2.583084 1.903900 2.056221 1.864771 1.860160 1.778862 2.458746 2.042062 1.830181 2.196035 2.067917 1.773521 2.406954 1.862006 1.883260 1.943275 2.035216 1.837028 2.421719 1.825195 2.043522 2.045873 2.225918 2.415831 1.800050 1.895521 1.938173 2.170226 1.783647 2.564793 2.088862 2.038264 1.898712 1.969923 1.823505 2.442034 1.928538 2.007377 1.814997 2.034912 2.090202 1.728118 3.441216 3.432282 1.685220 1.789192 1.892678 1.761174 1.742404 1.812337 3.222441 3.138276 3.212678 0.994348 1.002587 0.995027 2.451544 2.071588 2.036068 2.000185 1.938608 1.822133 1.841270 2.425310 1.977474 1.906802 1.915550 1.926281 1.769941 2.584536 1.904295 2.056542 1.865062 1.860535 1.778870 2.460970 2.042157 1.830196 2.196294 2.068131 1.773529 2.408515 1.862275 1.883771 1.943757 2.035626 1.837038 2.424021 1.825228 2.043693 2.046099 2.226178 2.417468 1.800097 1.895829 1.938691 2.170683 1.783665 2.566740 2.089059 2.038527 1.898924 1.970147 1.823529 2.443929 1.928807 2.008179 1.815009 2.035120 2.090442 1.728147 3.479434 3.462514 1.685296 1.794182 1.899083 1.761213 1.742428 1.814776 3.233824 3.161142 3.226098 0.994397 1.002655 0.995076 27 25 25 25 24 25 23 31 29 26 24 25 25 29 26 25 24 25 23 27 26 27 27 25 25 27 24 26 25 25 25 27 25 26 25 28 27 25 24 25 26 23 29 26 25 25 24 26 27 24 26 24 25 27 22 37 37 24 27 27 24 24 25 37 35 36 19 19 19 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Ta O W W Ta W Ta O O W Ta Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 2.0993 -1.0425 2.3705 2.3326 1.9798 2.4019 2.0119 -0.9046 -1.0304 2.2889 2.0941 2.1339 -1.0748 -0.9531 -1.1018 -1.0781 -0.9261 -1.0297 -0.9942 -0.9747 -0.8966 -0.9936 -0.8525 -0.9970 -0.9923 -0.9131 -0.9679 -1.0028 -1.0461 -0.9961 -1.0335 -1.0442 -1.0577 -1.0107 -0.9969 2.2377 -0.9300 -0.9926 -1.0613 -1.0122 -1.0069 -1.0124 -0.8983 -0.9247 0.2655 0.2687 0.2646 2.1447 1.9255 2.1275 2.1289 2.1691 2.1135 2.1543 1.9474 1.9273 2.1514 2.1390 2.1329 1.9375 1.9489 1.9290 1.9358 1.9457 1.9197 1.9297 1.9296 1.8635 1.9253 1.8656 1.9258 1.9247 1.8637 1.9288 1.9281 1.9267 1.9330 1.9302 1.9284 1.9237 1.9295 1.9348 0.9036 1.9432 1.9357 1.9239 1.9328 1.9294 1.9306 1.9477 1.9443 0.5821 0.5885 0.5812 6.1012 5.0958 6.1105 6.1121 6.1157 6.0960 6.1031 4.9275 5.0815 6.1274 6.0948 6.0908 5.1057 4.9719 5.1404 5.1099 4.9505 5.0870 5.0415 5.0168 5.0062 5.0422 4.9586 5.0447 5.0422 5.0232 5.0104 5.0522 5.0963 5.0395 5.0768 5.0893 5.1087 5.0546 5.0336 1.3156 4.9585 5.0301 5.1133 5.0506 5.0547 5.0589 4.9205 4.9512 0.1524 0.1427 0.1542 2.6206 0.0211 3.3619 3.3967 2.7022 3.3586 2.6975 0.0298 0.0216 3.4031 2.6376 2.6081 0.0316 0.0323 0.0324 0.0324 0.0298 0.0230 0.0231 0.0283 0.0269 0.0260 0.0283 0.0265 0.0253 0.0262 0.0287 0.0226 0.0231 0.0236 0.0265 0.0264 0.0253 0.0266 0.0286 10.5431 0.0284 0.0269 0.0241 0.0287 0.0229 0.0229 0.0301 0.0292 0.0000 0.0000 0.0000 14.0343 0.0000 14.0296 14.0297 14.0332 14.0301 14.0331 0.0000 0.0000 14.0293 14.0344 14.0342 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 Ta O W W Ta W Ta O O W Ta Ta O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 2.353156 -1.177004 2.489966 2.472410 2.313337 2.491386 2.317639 -0.968023 -1.154818 2.464932 2.337793 2.350514 -1.092357 -0.918967 -1.096487 -1.085635 -0.921760 -1.086811 -1.092064 -1.016316 -0.734901 -1.038670 -0.704257 -1.030778 -1.035550 -0.761871 -1.004990 -1.108551 -1.112572 -1.100486 -1.055214 -1.065243 -1.097822 -1.049669 -1.029532 2.286394 -1.003138 -1.041777 -1.101431 -1.026481 -1.125723 -1.126078 -0.960749 -0.993693 0.022860 0.017193 0.001836 1.867422 -1.150714 1.946081 1.913211 1.852083 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361.8466 59.9798 -390.4624 -149.0690 -415.5926 Jun20-2024 04:59:30 Nodes: 1 Procs: 1 Jun20-2024 04:59:32 Nodes: 1 Procs: 1 0 Jun20-2024 04:59:34 Nodes: 1 Procs: 1 Jun20-2024 04:59:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 04:59:39 Nodes: 1 Procs: 1 Jun20-2024 04:59:42 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 04:59:46 Nodes: 1 Procs: 1 Jun20-2024 04:59:48 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 04:59:52 Nodes: 1 Procs: 1 Jun20-2024 04:59:53 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 04:59:57 Nodes: 1 Procs: 5 *** (NO TITLE) *** -11 -15.01530393 -15.23225577 -15.25489846 -15.26431936 -15.26651642 -15.26975590 -15.27094663 -15.27169451 -15.27242878 -15.27273192 -15.27274590 -15.27292569 -15.27291843 -15.27290649 -15.27285752 -15.27285986 -15.27274662 GEOMETRY CONVERGED