ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:48:45 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.76 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun19-2024 21:48:45 Nodes: 1 Procs: 1 Jun19-2024 21:48:48 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:48:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.06 1.94 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun19-2024 21:48:45 Nodes: 1 Procs: 1 Jun19-2024 21:48:48 Nodes: 1 Procs: 1 0 Jun19-2024 21:48:50 Nodes: 1 Procs: 1 Jun19-2024 21:48:52 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:48:55 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.43 0.08 3.65 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun19-2024 21:48:45 Nodes: 1 Procs: 1 Jun19-2024 21:48:48 Nodes: 1 Procs: 1 0 Jun19-2024 21:48:50 Nodes: 1 Procs: 1 Jun19-2024 21:48:52 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 21:48:55 Nodes: 1 Procs: 1 Jun19-2024 21:48:58 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:49:02 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.04 1.58 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun19-2024 21:48:45 Nodes: 1 Procs: 1 Jun19-2024 21:48:48 Nodes: 1 Procs: 1 0 Jun19-2024 21:48:50 Nodes: 1 Procs: 1 Jun19-2024 21:48:52 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 21:48:55 Nodes: 1 Procs: 1 Jun19-2024 21:48:58 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 21:49:02 Nodes: 1 Procs: 1 Jun19-2024 21:49:03 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:49:06 Hydrogen (TZP) c1-43 c1-43 c1-43 c1-43 c1-43 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.44 0.06 3.15 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Jun19-2024 21:48:45 Nodes: 1 Procs: 1 Jun19-2024 21:48:48 Nodes: 1 Procs: 1 0 Jun19-2024 21:48:50 Nodes: 1 Procs: 1 Jun19-2024 21:48:52 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 21:48:55 Nodes: 1 Procs: 1 Jun19-2024 21:48:58 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 21:49:02 Nodes: 1 Procs: 1 Jun19-2024 21:49:03 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 21:49:06 Nodes: 1 Procs: 1 Jun19-2024 21:49:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 21:49:13 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2261.892799999999 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun19-2024 21:49:08 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun19-2024 21:49:03 1 1 Oxygen TZP 1s t21.Ta ADF 2019.304 Jun19-2024 21:48:58 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun19-2024 21:48:52 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun19-2024 21:48:48 1 1 Hydrogen TZP 1 1 -14.91905911 0.78016177 0.00100000 F 0.11565130 0.00066667 F 0.78016177 0.11565130 0.28002731 0.01000000 F 0.06437357 0.00666667 F Cartesian 2261.892799999999 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2 2 -15.12261330 0.13442668 0.00100000 F 0.02606771 0.00066667 F 0.13442668 0.02606771 0.29976644 0.01000000 F 0.05179035 0.00666667 F Cartesian 2261.892799999999 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-3.492259 Rho 0.3188887E+03 3,-3 35 3 -3 1.352829 3.577245 1.429598 Rho 0.3189148E+03 3,-3 36 3 -3 0.820851 -4.779634 -2.501285 Rho 0.3191613E+03 3,-3 37 3 -3 4.733538 -0.710992 -2.628950 Rho 0.3190294E+03 3,-3 38 3 -3 -0.956035 4.441849 2.842393 Rho 0.3191926E+03 3,-3 39 3 -3 4.699798 -0.794145 2.595189 Rho 0.3190291E+03 3,-3 40 3 -3 3.031552 -0.630534 1.888398 Rho 0.3882647E+07 3,-3 41 3 -3 -0.138793 -0.171836 -3.645419 Rho 0.3882646E+07 3,-3 42 3 -3 2.547967 2.603866 0.023807 Rho 0.3882647E+07 3,-3 43 3 -3 3.054396 -0.529622 -1.953350 Rho 0.3882647E+07 3,-3 44 3 -3 -0.253747 -0.027073 -0.012506 Rho 0.4276099E+05 3,-3 45 3 -3 -2.165915 1.355797 1.111775 Rho 0.4334436E+00 3,-3 46 3 -3 -2.177431 1.389212 -1.099582 Rho 0.4341678E+00 3,-3 47 3 -3 -1.299517 -3.063285 -0.310378 Rho 0.4296791E+00 3,-3 48 3 -1 -2.023387 0.966921 -2.318088 Rho 0.8062007E-02 |GRAD(Rho)| 0.3307733E-17 GRAD(Rho)x 0.2091200E-18 GRAD(Rho)y -0.2918614E-17 GRAD(Rho)z -0.1542419E-17 Laplacian 0.2942518E-01 (-1/4)Del**2(Rho)) -0.7356296E-02 Diamond 0.1480099E-02 Metallicity 0.7591005E+00 Ellipticity 0.3391879E+00 Gb(Abramov) 0.5834892E-02 Vb(Abramov) -0.4313488E-02 Hb(Abramov) 0.1521404E-02 Ex_ueg -0.1193922E-02 Ec_ueg -0.2809735E-03 Delta_ex -0.1695260E-02 Delta_ec 0.1079560E-02 Delta_et -0.6705972E-02 Pxc 0.4249234E+01 Qxc -0.1570325E+01 3,-1 49 3 +1 -1.914464 0.371358 -1.727790 Rho 0.6085065E-02 |GRAD(Rho)| 0.5016841E-14 GRAD(Rho)x -0.3852981E-14 GRAD(Rho)y 0.1199537E-14 GRAD(Rho)z 0.2980661E-14 Laplacian 0.2102261E-01 (-1/4)Del**2(Rho)) -0.5255652E-02 Diamond 0.4653140E-03 Metallicity 0.6648168E+00 Ellipticity -0.2021825E+01 Gb(Abramov) 0.4086109E-02 Vb(Abramov) -0.2916566E-02 Hb(Abramov) 0.1169543E-02 Ex_ueg -0.8204877E-03 Ec_ueg -0.1939023E-03 Delta_ex -0.9624433E-03 Delta_ec 0.4410306E-03 Delta_et -0.2627324E-02 Pxc 0.4231448E+01 Qxc -0.2182260E+01 3,+1 50 3 +1 -1.136672 1.436714 0.690680 Rho 0.1178095E-01 |GRAD(Rho)| 0.1932249E-16 GRAD(Rho)x 0.1534472E-16 GRAD(Rho)y -0.5557754E-17 GRAD(Rho)z -0.1034455E-16 Laplacian 0.4715709E-01 (-1/4)Del**2(Rho)) -0.1178927E-01 Diamond 0.1918182E-02 Metallicity 0.8913198E+00 Ellipticity -0.1545347E+01 Gb(Abramov) 0.9610850E-02 Vb(Abramov) -0.7432428E-02 Hb(Abramov) 0.2178422E-02 Ex_ueg -0.1979820E-02 Ec_ueg -0.4494665E-03 Delta_ex -0.2329177E-02 Delta_ec 0.6521397E-03 Delta_et -0.4836888E-02 Pxc 0.4404821E+01 Qxc -0.3571592E+01 3,+1 51 3 +1 -1.855737 2.558982 0.030994 Rho 0.7597773E-02 |GRAD(Rho)| 0.2310872E-16 GRAD(Rho)x 0.1432817E-16 GRAD(Rho)y 0.1790729E-16 GRAD(Rho)z -0.2836464E-17 Laplacian 0.3242275E-01 (-1/4)Del**2(Rho)) -0.8105687E-02 Diamond 0.8820005E-03 Metallicity 0.6240803E+00 Ellipticity -0.1479015E+01 Gb(Abramov) 0.6246891E-02 Vb(Abramov) -0.4388096E-02 Hb(Abramov) 0.1858796E-02 Ex_ueg -0.1103147E-02 Ec_ueg -0.2603633E-03 Delta_ex -0.1514932E-02 Delta_ec 0.5976761E-03 Delta_et -0.3837545E-02 Pxc 0.4236953E+01 Qxc -0.2534704E+01 3,+1 52 3 +1 -1.855297 0.330640 1.672390 Rho 0.6813434E-02 |GRAD(Rho)| 0.5601690E-17 GRAD(Rho)x 0.4152940E-18 GRAD(Rho)y 0.6090557E-18 GRAD(Rho)z -0.5552973E-17 Laplacian 0.2475066E-01 (-1/4)Del**2(Rho)) -0.6187664E-02 Diamond 0.6618518E-03 Metallicity 0.6817678E+00 Ellipticity -0.2121512E+01 Gb(Abramov) 0.4828201E-02 Vb(Abramov) -0.3468738E-02 Hb(Abramov) 0.1359463E-02 Ex_ueg -0.9539811E-03 Ec_ueg -0.2257680E-03 Delta_ex -0.1176898E-02 Delta_ec 0.5451102E-03 Delta_et -0.3338005E-02 Pxc 0.4225493E+01 Qxc -0.2159010E+01 3,+1 53 3 -1 -1.963029 0.947418 2.311185 Rho 0.9717598E-02 |GRAD(Rho)| 0.1674639E-16 GRAD(Rho)x -0.1769137E-17 GRAD(Rho)y 0.1359449E-16 GRAD(Rho)z -0.9617766E-17 Laplacian 0.3765753E-01 (-1/4)Del**2(Rho)) -0.9414382E-02 Diamond 0.2520852E-02 Metallicity 0.8097662E+00 Ellipticity 0.3547548E+00 Gb(Abramov) 0.7546829E-02 Vb(Abramov) -0.5679276E-02 Hb(Abramov) 0.1867553E-02 Ex_ueg -0.1531547E-02 Ec_ueg -0.3552579E-03 Delta_ex -0.2283999E-02 Delta_ec 0.1439238E-02 Delta_et -0.9441091E-02 Pxc 0.4311085E+01 Qxc -0.1586950E+01 3,-1 54 3 +1 -1.148749 1.443466 -0.680129 Rho 0.1188688E-01 |GRAD(Rho)| 0.4360043E-16 GRAD(Rho)x -0.3882340E-16 GRAD(Rho)y -0.1955032E-16 GRAD(Rho)z -0.3395057E-17 Laplacian 0.4771463E-01 (-1/4)Del**2(Rho)) -0.1192866E-01 Diamond 0.1939647E-02 Metallicity 0.8941457E+00 Ellipticity -0.1528489E+01 Gb(Abramov) 0.9730099E-02 Vb(Abramov) -0.7531539E-02 Hb(Abramov) 0.2198560E-02 Ex_ueg -0.2003591E-02 Ec_ueg -0.4543497E-03 Delta_ex -0.2354865E-02 Delta_ec 0.6467065E-03 Delta_et -0.4816856E-02 Pxc 0.4409800E+01 Qxc -0.3641320E+01 3,+1 55 3 -1 -2.068425 0.951632 -0.728675 Rho 0.4209566E-01 |GRAD(Rho)| 0.2517821E-16 GRAD(Rho)x -0.5550640E-17 GRAD(Rho)y -0.1190528E-16 GRAD(Rho)z -0.2148015E-16 Laplacian 0.1154114E+00 (-1/4)Del**2(Rho)) -0.2885285E-01 Diamond 0.6858804E-01 Metallicity 0.3041539E+01 Ellipticity 0.1615664E-02 Gb(Abramov) 0.3386141E-01 Vb(Abramov) -0.3886997E-01 Hb(Abramov) -0.5008560E-02 Ex_ueg -0.1081521E-01 Ec_ueg -0.1982851E-02 Delta_ex -0.1030773E-01 Delta_ec 0.5600319E-02 Delta_et -0.5675023E-01 Pxc 0.5454372E+01 Qxc -0.1840562E+01 3,-1 56 3 -1 -2.061561 0.929461 0.733939 Rho 0.4294691E-01 |GRAD(Rho)| 0.1794280E-15 GRAD(Rho)x 0.1815377E-16 GRAD(Rho)y -0.1365622E-15 GRAD(Rho)z -0.1149592E-15 Laplacian 0.1161662E+00 (-1/4)Del**2(Rho)) -0.2904156E-01 Diamond 0.7137449E-01 Metallicity 0.3124303E+01 Ellipticity 0.9862129E-03 Gb(Abramov) 0.3448348E-01 Vb(Abramov) -0.3992540E-01 Hb(Abramov) -0.5441919E-02 Ex_ueg -0.1110779E-01 Ec_ueg -0.2028884E-02 Delta_ex -0.1044438E-01 Delta_ec 0.5678418E-02 Delta_et -0.5788449E-01 Pxc 0.5474827E+01 Qxc -0.1839312E+01 3,-1 57 3 +3 -1.012425 0.727746 1.710715 Rho 0.4664163E-02 |GRAD(Rho)| 0.1214076E-14 GRAD(Rho)x 0.6950631E-15 GRAD(Rho)y 0.5785027E-15 GRAD(Rho)z -0.8100628E-15 Laplacian 0.1825650E-01 (-1/4)Del**2(Rho)) -0.4564125E-02 Diamond 0.1261003E-03 Metallicity 0.4914566E+00 Ellipticity -0.4328964E+00 Gb(Abramov) 0.3416595E-02 Vb(Abramov) -0.2269065E-02 Hb(Abramov) 0.1147530E-02 Ex_ueg -0.5755504E-03 Ec_ueg -0.1324891E-03 Delta_ex -0.6290938E-03 Delta_ec 0.9894545E-04 Delta_et -0.7200262E-03 Pxc 0.4344133E+01 Qxc -0.6357986E+01 3,+3 58 3 +3 -1.084277 0.707922 -1.762707 Rho 0.4409082E-02 |GRAD(Rho)| 0.4863520E-18 GRAD(Rho)x 0.5875650E-19 GRAD(Rho)y 0.1303021E-18 GRAD(Rho)z -0.4648734E-18 Laplacian 0.1610090E-01 (-1/4)Del**2(Rho)) -0.4025226E-02 Diamond 0.1002695E-03 Metallicity 0.5073915E+00 Ellipticity -0.3910643E+00 Gb(Abramov) 0.3023878E-02 Vb(Abramov) -0.2022530E-02 Hb(Abramov) 0.1001348E-02 Ex_ueg -0.5339688E-03 Ec_ueg -0.1215725E-03 Delta_ex -0.5434223E-03 Delta_ec 0.8191676E-04 Delta_et -0.6022774E-03 Pxc 0.4392185E+01 Qxc -0.6633836E+01 3,+3 59 3 -1 -1.752975 0.003898 1.607897 Rho 0.7041652E-02 |GRAD(Rho)| 0.7733767E-15 GRAD(Rho)x -0.4526133E-15 GRAD(Rho)y 0.6249699E-15 GRAD(Rho)z 0.5162595E-16 Laplacian 0.2551168E-01 (-1/4)Del**2(Rho)) -0.6377920E-02 Diamond 0.1002721E-02 Metallicity 0.6987659E+00 Ellipticity 0.4064877E+00 Gb(Abramov) 0.4994725E-02 Vb(Abramov) -0.3611531E-02 Hb(Abramov) 0.1383195E-02 Ex_ueg -0.9968224E-03 Ec_ueg -0.2358045E-03 Delta_ex -0.1392365E-02 Delta_ec 0.8658513E-03 Delta_et -0.5185755E-02 Pxc 0.4227326E+01 Qxc -0.1608088E+01 3,-1 60 3 -1 -1.807464 -0.005300 -1.655809 Rho 0.6361072E-02 |GRAD(Rho)| 0.4830976E-12 GRAD(Rho)x -0.4663347E-12 GRAD(Rho)y 0.8428534E-13 GRAD(Rho)z 0.9386808E-13 Laplacian 0.2188649E-01 (-1/4)Del**2(Rho)) -0.5471622E-02 Diamond 0.7398642E-03 Metallicity 0.6875763E+00 Ellipticity 0.3015637E+00 Gb(Abramov) 0.4274775E-02 Vb(Abramov) -0.3077927E-02 Hb(Abramov) 0.1196848E-02 Ex_ueg -0.8704800E-03 Ec_ueg -0.2059474E-03 Delta_ex -0.1163935E-02 Delta_ec 0.7303576E-03 Delta_et -0.4247023E-02 Pxc 0.4226710E+01 Qxc -0.1593651E+01 3,-1 61 3 -1 -2.184319 1.593526 -1.192148 Rho 0.3108695E+00 |GRAD(Rho)| 0.1052050E-14 GRAD(Rho)x 0.5281659E-15 GRAD(Rho)y -0.8549819E-15 GRAD(Rho)z 0.3112162E-15 Laplacian -0.1552803E+01 (-1/4)Del**2(Rho)) 0.3882008E+00 Diamond 0.5345469E+01 Metallicity -0.6330822E+01 Ellipticity 0.2760829E-02 Gb(Abramov) 0.1508045E+00 Vb(Abramov) -0.6898099E+00 Hb(Abramov) -0.5390054E+00 Ex_ueg -0.1555330E+00 Ec_ueg -0.1947589E-01 Delta_ex 0.1524907E+00 Delta_ec 0.5487933E-01 Delta_et -0.1284798E+01 Pxc 0.7985925E+01 Qxc 0.2778654E+01 3,-1 62 3 +3 -1.497643 2.029530 0.019311 Rho 0.6616244E-02 |GRAD(Rho)| 0.8596401E-15 GRAD(Rho)x 0.5832433E-15 GRAD(Rho)y -0.4197133E-15 GRAD(Rho)z -0.4718572E-15 Laplacian 0.2836942E-01 (-1/4)Del**2(Rho)) -0.7092354E-02 Diamond 0.3699981E-03 Metallicity 0.5663896E+00 Ellipticity -0.6979956E+00 Gb(Abramov) 0.5397742E-02 Vb(Abramov) -0.3703130E-02 Hb(Abramov) 0.1694612E-02 Ex_ueg -0.9173472E-03 Ec_ueg -0.2171160E-03 Delta_ex -0.1110593E-02 Delta_ec 0.2150037E-03 Delta_et -0.1532685E-02 Pxc 0.4225148E+01 Qxc -0.5165460E+01 3,+3 63 3 -1 -2.172486 1.554902 1.215365 Rho 0.3101394E+00 |GRAD(Rho)| 0.5983840E-15 GRAD(Rho)x 0.5866137E-15 GRAD(Rho)y -0.9558343E-16 GRAD(Rho)z 0.6936543E-16 Laplacian -0.1547330E+01 (-1/4)Del**2(Rho)) 0.3868324E+00 Diamond 0.5322359E+01 Metallicity -0.6328370E+01 Ellipticity 0.2145822E-02 Gb(Abramov) 0.1501148E+00 Vb(Abramov) -0.6870620E+00 Hb(Abramov) -0.5369472E+00 Ex_ueg -0.1550461E+00 Ec_ueg -0.1942259E-01 Delta_ex 0.1517714E+00 Delta_ec 0.5475915E-01 Delta_et -0.1280490E+01 Pxc 0.7982775E+01 Qxc 0.2771618E+01 3,-1 64 3 +1 -1.351380 -0.099577 -1.663429 Rho 0.5995939E-02 |GRAD(Rho)| 0.1053511E-16 GRAD(Rho)x -0.2871251E-17 GRAD(Rho)y -0.2634753E-17 GRAD(Rho)z -0.9787874E-17 Laplacian 0.2077697E-01 (-1/4)Del**2(Rho)) -0.5194243E-02 Diamond 0.4403815E-03 Metallicity 0.6563362E+00 Ellipticity -0.1920185E+01 Gb(Abramov) 0.4031023E-02 Vb(Abramov) -0.2867804E-02 Hb(Abramov) 0.1163219E-02 Ex_ueg -0.8045037E-03 Ec_ueg -0.1900207E-03 Delta_ex -0.9404638E-03 Delta_ec 0.4223170E-03 Delta_et -0.2513361E-02 Pxc 0.4233768E+01 Qxc -0.2226914E+01 3,+1 65 3 +1 0.052092 0.917503 -1.599762 Rho 0.8035316E-02 |GRAD(Rho)| 0.1864145E-15 GRAD(Rho)x -0.1621234E-15 GRAD(Rho)y 0.8720643E-16 GRAD(Rho)z 0.2934938E-16 Laplacian 0.3047089E-01 (-1/4)Del**2(Rho)) -0.7617723E-02 Diamond 0.7359021E-03 Metallicity 0.7290091E+00 Ellipticity -0.1435239E+01 Gb(Abramov) 0.6004047E-02 Vb(Abramov) -0.4390371E-02 Hb(Abramov) 0.1613676E-02 Ex_ueg -0.1188655E-02 Ec_ueg -0.2797858E-03 Delta_ex -0.1364684E-02 Delta_ec 0.4221860E-03 Delta_et -0.2841019E-02 Pxc 0.4248444E+01 Qxc -0.3232422E+01 3,+1 66 3 +1 -1.316114 -0.100031 1.603977 Rho 0.6642369E-02 |GRAD(Rho)| 0.9592784E-15 GRAD(Rho)x 0.8689733E-15 GRAD(Rho)y -0.1897362E-15 GRAD(Rho)z -0.3593059E-15 Laplacian 0.2469637E-01 (-1/4)Del**2(Rho)) -0.6174092E-02 Diamond 0.6232422E-03 Metallicity 0.6549153E+00 Ellipticity -0.1926142E+01 Gb(Abramov) 0.4789979E-02 Vb(Abramov) -0.3405866E-02 Hb(Abramov) 0.1384113E-02 Ex_ueg -0.9221801E-03 Ec_ueg -0.2182612E-03 Delta_ex -0.1158203E-02 Delta_ec 0.5270582E-03 Delta_et -0.3213504E-02 Pxc 0.4225122E+01 Qxc -0.2197485E+01 3,+1 67 3 +3 1.807169 0.346097 -0.026076 Rho 0.3754864E-02 |GRAD(Rho)| 0.2676039E-17 GRAD(Rho)x -0.1034544E-17 GRAD(Rho)y -0.2099134E-17 GRAD(Rho)z 0.1297897E-17 Laplacian 0.1333792E-01 (-1/4)Del**2(Rho)) -0.3334481E-02 Diamond 0.7026244E-04 Metallicity 0.4686500E+00 Ellipticity -0.3965948E+00 Gb(Abramov) 0.2483438E-02 Vb(Abramov) -0.1632395E-02 Hb(Abramov) 0.8510429E-03 Ex_ueg -0.4310332E-03 Ec_ueg -0.9372945E-04 Delta_ex -0.4358258E-03 Delta_ec 0.7642592E-04 Delta_et -0.5226920E-03 Pxc 0.4598695E+01 Qxc -0.5702591E+01 3,+3 68 3 +1 -1.481028 1.164339 2.479526 Rho 0.8161272E-02 |GRAD(Rho)| 0.3320430E-14 GRAD(Rho)x 0.3033729E-14 GRAD(Rho)y 0.4002447E-15 GRAD(Rho)z 0.1289010E-14 Laplacian 0.3654306E-01 (-1/4)Del**2(Rho)) -0.9135765E-02 Diamond 0.1053958E-02 Metallicity 0.6238373E+00 Ellipticity -0.1423789E+01 Gb(Abramov) 0.7040382E-02 Vb(Abramov) -0.4944999E-02 Hb(Abramov) 0.2095383E-02 Ex_ueg -0.1213563E-02 Ec_ueg -0.2853932E-03 Delta_ex -0.1716761E-02 Delta_ec 0.6378820E-03 Delta_et -0.4199459E-02 Pxc 0.4252248E+01 Qxc -0.2691346E+01 3,+1 69 3 +1 1.496361 0.701351 -0.902056 Rho 0.5707443E-02 |GRAD(Rho)| 0.2837959E-15 GRAD(Rho)x 0.1649018E-15 GRAD(Rho)y 0.2279374E-15 GRAD(Rho)z 0.3730993E-16 Laplacian 0.2056706E-01 (-1/4)Del**2(Rho)) -0.5141765E-02 Diamond 0.3092565E-03 Metallicity 0.6107221E+00 Ellipticity -0.1355144E+01 Gb(Abramov) 0.3951208E-02 Vb(Abramov) -0.2760651E-02 Hb(Abramov) 0.1190557E-02 Ex_ueg -0.7533102E-03 Ec_ueg -0.1774829E-03 Delta_ex -0.8439566E-03 Delta_ec 0.2810451E-03 Delta_et -0.1733818E-02 Pxc 0.4244411E+01 Qxc -0.3002922E+01 3,+1 70 3 +1 -1.572374 1.165658 -2.482148 Rho 0.7107063E-02 |GRAD(Rho)| 0.1252036E-10 GRAD(Rho)x -0.1119350E-10 GRAD(Rho)y -0.4327188E-11 GRAD(Rho)z 0.3569377E-11 Laplacian 0.2907692E-01 (-1/4)Del**2(Rho)) -0.7269231E-02 Diamond 0.7005076E-03 Metallicity 0.6226084E+00 Ellipticity -0.1478759E+01 Gb(Abramov) 0.5600468E-02 Vb(Abramov) -0.3931705E-02 Hb(Abramov) 0.1668763E-02 Ex_ueg -0.1009188E-02 Ec_ueg -0.2386856E-03 Delta_ex -0.1324527E-02 Delta_ec 0.5131367E-03 Delta_et -0.3249624E-02 Pxc 0.4228105E+01 Qxc -0.2581237E+01 3,+1 71 3 +1 0.070622 0.931099 1.556582 Rho 0.8257784E-02 |GRAD(Rho)| 0.5126962E-17 GRAD(Rho)x -0.2523557E-17 GRAD(Rho)y -0.3470354E-18 GRAD(Rho)z -0.4449378E-17 Laplacian 0.3208727E-01 (-1/4)Del**2(Rho)) -0.8021817E-02 Diamond 0.7954943E-03 Metallicity 0.7245243E+00 Ellipticity -0.1408358E+01 Gb(Abramov) 0.6316545E-02 Vb(Abramov) -0.4611273E-02 Hb(Abramov) 0.1705272E-02 Ex_ueg -0.1232735E-02 Ec_ueg -0.2896945E-03 Delta_ex -0.1442829E-02 Delta_ec 0.4370956E-03 Delta_et -0.2968320E-02 Pxc 0.4255293E+01 Qxc -0.3300946E+01 3,+1 72 3 +1 0.636457 3.481268 0.021080 Rho 0.1180335E-01 |GRAD(Rho)| 0.3786531E-16 GRAD(Rho)x -0.2386905E-16 GRAD(Rho)y -0.8713350E-18 GRAD(Rho)z 0.2938182E-16 Laplacian 0.5344884E-01 (-1/4)Del**2(Rho)) -0.1336221E-01 Diamond 0.1629485E-02 Metallicity 0.7888909E+00 Ellipticity -0.1119219E+01 Gb(Abramov) 0.1066503E-01 Vb(Abramov) -0.7967846E-02 Hb(Abramov) 0.2697182E-02 Ex_ueg -0.1984839E-02 Ec_ueg -0.4504985E-03 Delta_ex -0.2478685E-02 Delta_ec 0.4489093E-03 Delta_et -0.3542290E-02 Pxc 0.4405873E+01 Qxc -0.5521572E+01 3,+1 73 3 -1 -1.095212 -0.219225 -3.435594 Rho 0.1917344E+00 |GRAD(Rho)| 0.7338715E-15 GRAD(Rho)x 0.7332459E-15 GRAD(Rho)y 0.2771831E-16 GRAD(Rho)z 0.1222438E-16 Laplacian 0.7671235E+00 (-1/4)Del**2(Rho)) -0.1917809E+00 Diamond 0.2055709E+01 Metallicity 0.5726835E+01 Ellipticity 0.1560354E-01 Gb(Abramov) 0.3109035E+00 Vb(Abramov) -0.4300261E+00 Hb(Abramov) -0.1191226E+00 Ex_ueg -0.8165545E-01 Ec_ueg -0.1116680E-01 Delta_ex -0.8736179E-01 Delta_ec 0.1785880E-01 Delta_et -0.2432975E+00 Pxc 0.7312344E+01 Qxc -0.4891806E+01 3,-1 74 3 -1 -1.374132 2.680725 -1.604869 Rho 0.1368594E+00 |GRAD(Rho)| 0.3407042E-14 GRAD(Rho)x -0.3273030E-14 GRAD(Rho)y 0.7321685E-15 GRAD(Rho)z -0.5992792E-15 Laplacian 0.5211110E+00 (-1/4)Del**2(Rho)) -0.1302777E+00 Diamond 0.9584697E+00 Metallicity 0.4806258E+01 Ellipticity 0.8904089E-01 Gb(Abramov) 0.1912099E+00 Vb(Abramov) -0.2521421E+00 Hb(Abramov) -0.6093216E-01 Ex_ueg -0.5208960E-01 Ec_ueg -0.7607706E-02 Delta_ex -0.5486426E-01 Delta_ec 0.1377486E-01 Delta_et -0.1814278E+00 Pxc 0.6846952E+01 Qxc -0.3982926E+01 3,-1 75 3 -1 -1.373086 2.656504 1.630543 Rho 0.1367889E+00 |GRAD(Rho)| 0.6590697E-12 GRAD(Rho)x 0.5786184E-12 GRAD(Rho)y 0.3149110E-12 GRAD(Rho)z 0.2011722E-13 Laplacian 0.5251009E+00 (-1/4)Del**2(Rho)) -0.1312752E+00 Diamond 0.9626147E+00 Metallicity 0.4765649E+01 Ellipticity 0.9160273E-01 Gb(Abramov) 0.1917854E+00 Vb(Abramov) -0.2522956E+00 Hb(Abramov) -0.6051020E-01 Ex_ueg -0.5205387E-01 Ec_ueg -0.7603257E-02 Delta_ex -0.5524821E-01 Delta_ec 0.1382982E-01 Delta_et -0.1820336E+00 Pxc 0.6846260E+01 Qxc -0.3994860E+01 3,-1 76 3 +1 -0.415455 -3.174928 0.042183 Rho 0.1621750E-01 |GRAD(Rho)| 0.3039693E-16 GRAD(Rho)x 0.1950988E-16 GRAD(Rho)y -0.2298242E-17 GRAD(Rho)z -0.2319603E-16 Laplacian 0.7568274E-01 (-1/4)Del**2(Rho)) -0.1892069E-01 Diamond 0.4731933E-02 Metallicity 0.9460691E+00 Ellipticity -0.1487964E+01 Gb(Abramov) 0.1559717E-01 Vb(Abramov) -0.1227365E-01 Hb(Abramov) 0.3323516E-02 Ex_ueg -0.3031775E-02 Ec_ueg -0.6576038E-03 Delta_ex -0.4059270E-02 Delta_ec 0.1032119E-02 Delta_et -0.8290077E-02 Pxc 0.4610337E+01 Qxc -0.3932948E+01 3,+1 77 3 -1 -1.070724 -0.000125 -0.010621 Rho 0.1913634E+00 |GRAD(Rho)| 0.1627266E-13 GRAD(Rho)x 0.1626477E-13 GRAD(Rho)y -0.4991667E-15 GRAD(Rho)z -0.8698012E-16 Laplacian 0.5048147E+00 (-1/4)Del**2(Rho)) -0.1262037E+00 Diamond 0.1345977E+01 Metallicity 0.8674530E+01 Ellipticity 0.6541076E-02 Gb(Abramov) 0.2665954E+00 Vb(Abramov) -0.4069871E+00 Hb(Abramov) -0.1403917E+00 Ex_ueg -0.8144483E-01 Ec_ueg -0.1114214E-01 Delta_ex -0.5743474E-01 Delta_ec 0.1171132E-01 Delta_et -0.1593655E+00 Pxc 0.7309621E+01 Qxc -0.4904208E+01 3,-1 78 3 -1 -0.982861 -0.188707 3.361692 Rho 0.2135324E+00 |GRAD(Rho)| 0.2508671E-13 GRAD(Rho)x 0.1694532E-13 GRAD(Rho)y -0.1822286E-13 GRAD(Rho)z -0.3182188E-14 Laplacian 0.8489515E+00 (-1/4)Del**2(Rho)) -0.2122379E+00 Diamond 0.2562241E+01 Metallicity 0.6192078E+01 Ellipticity 0.1662443E-01 Gb(Abramov) 0.3605242E+00 Vb(Abramov) -0.5088105E+00 Hb(Abramov) -0.1482863E+00 Ex_ueg -0.9426200E-01 Ec_ueg -0.1262870E-01 Delta_ex -0.9921872E-01 Delta_ec 0.1888120E-01 Delta_et -0.2580775E+00 Pxc 0.7464108E+01 Qxc -0.5254896E+01 3,-1 79 3 -1 -0.678322 3.603897 0.821259 Rho 0.1454513E+00 |GRAD(Rho)| 0.2106454E-15 GRAD(Rho)x -0.9157443E-16 GRAD(Rho)y 0.5464379E-16 GRAD(Rho)z -0.1816581E-15 Laplacian 0.5610331E+00 (-1/4)Del**2(Rho)) -0.1402583E+00 Diamond 0.1095570E+01 Metallicity 0.4941067E+01 Ellipticity 0.4772647E-01 Gb(Abramov) 0.2090098E+00 Vb(Abramov) -0.2777613E+00 Hb(Abramov) -0.6875149E-01 Ex_ueg -0.5649481E-01 Ec_ueg -0.8152971E-02 Delta_ex -0.5979542E-01 Delta_ec 0.1434204E-01 Delta_et -0.1900861E+00 Pxc 0.6929353E+01 Qxc -0.4169241E+01 3,-1 80 3 -1 -0.731784 3.853386 2.328601 Rho 0.2272877E+00 |GRAD(Rho)| 0.8037785E-11 GRAD(Rho)x -0.2222131E-11 GRAD(Rho)y 0.5824441E-11 GRAD(Rho)z 0.5073855E-11 Laplacian 0.8480369E+00 (-1/4)Del**2(Rho)) -0.2120092E+00 Diamond 0.2804933E+01 Metallicity 0.6878466E+01 Ellipticity 0.3792598E-02 Gb(Abramov) 0.3843892E+00 Vb(Abramov) -0.5567691E+00 Hb(Abramov) -0.1723799E+00 Ex_ueg -0.1024439E+00 Ec_ueg -0.1356477E-01 Delta_ex -0.1009944E+00 Delta_ec 0.1899174E-01 Delta_et -0.2623020E+00 Pxc 0.7552203E+01 Qxc -0.5317808E+01 3,-1 81 3 +3 0.610756 3.317381 0.018620 Rho 0.1175064E-01 |GRAD(Rho)| 0.2495291E-16 GRAD(Rho)x -0.1898089E-16 GRAD(Rho)y 0.1822752E-17 GRAD(Rho)z -0.1609507E-16 Laplacian 0.5255712E-01 (-1/4)Del**2(Rho)) -0.1313928E-01 Diamond 0.1244830E-02 Metallicity 0.7963134E+00 Ellipticity -0.8217094E+00 Gb(Abramov) 0.1050335E-01 Vb(Abramov) -0.7867421E-02 Hb(Abramov) 0.2635929E-02 Ex_ueg -0.1973030E-02 Ec_ueg -0.4480698E-03 Delta_ex -0.2331003E-02 Delta_ec 0.2569909E-03 Delta_et -0.2247487E-02 Pxc 0.4403398E+01 Qxc -0.9070371E+01 3,+3 82 3 -1 -0.106638 2.360100 -0.859222 Rho 0.4822961E-01 |GRAD(Rho)| 0.5486015E-16 GRAD(Rho)x 0.3165150E-17 GRAD(Rho)y 0.4248294E-16 GRAD(Rho)z -0.3456614E-16 Laplacian 0.1841398E+00 (-1/4)Del**2(Rho)) -0.4603495E-01 Diamond 0.8701271E-01 Metallicity 0.2391416E+01 Ellipticity 0.1905555E-01 Gb(Abramov) 0.4903808E-01 Vb(Abramov) -0.5204122E-01 Hb(Abramov) -0.3003135E-02 Ex_ueg -0.1296592E-01 Ec_ueg -0.2317249E-02 Delta_ex -0.1493573E-01 Delta_ec 0.5337254E-02 Delta_et -0.5571317E-01 Pxc 0.5595393E+01 Qxc -0.2798392E+01 3,-1 83 3 -1 -0.669998 3.593574 -0.795941 Rho 0.1164673E+00 |GRAD(Rho)| 0.3384517E-15 GRAD(Rho)x 0.5799804E-16 GRAD(Rho)y -0.1360741E-15 GRAD(Rho)z -0.3044169E-15 Laplacian 0.4508019E+00 (-1/4)Del**2(Rho)) -0.1127005E+00 Diamond 0.6721996E+00 Metallicity 0.4245879E+01 Ellipticity 0.2981886E-01 Gb(Abramov) 0.1548857E+00 Vb(Abramov) -0.1970710E+00 Hb(Abramov) -0.4218527E-01 Ex_ueg -0.4200721E-01 Ec_ueg -0.6332955E-02 Delta_ex -0.4551485E-01 Delta_ec 0.1210788E-01 Delta_et -0.1547348E+00 Pxc 0.6633113E+01 Qxc -0.3759110E+01 3,-1 84 3 -1 -0.723266 3.869804 -2.305160 Rho 0.2262509E+00 |GRAD(Rho)| 0.1559077E-13 GRAD(Rho)x 0.4192068E-14 GRAD(Rho)y -0.1194579E-13 GRAD(Rho)z 0.9099275E-14 Laplacian 0.8455326E+00 (-1/4)Del**2(Rho)) -0.2113832E+00 Diamond 0.2780888E+01 Metallicity 0.6846468E+01 Ellipticity 0.5456696E-02 Gb(Abramov) 0.3821268E+00 Vb(Abramov) -0.5528704E+00 Hb(Abramov) -0.1707436E+00 Ex_ueg -0.1018213E+00 Ec_ueg -0.1349386E-01 Delta_ex -0.1005743E+00 Delta_ec 0.1895638E-01 Delta_et -0.2617385E+00 Pxc 0.7545755E+01 Qxc -0.5305565E+01 3,-1 85 3 -1 -0.437172 -3.067537 1.583242 Rho 0.1961136E+00 |GRAD(Rho)| 0.3760513E-15 GRAD(Rho)x 0.3608767E-15 GRAD(Rho)y -0.6836403E-16 GRAD(Rho)z 0.8067819E-16 Laplacian 0.7664876E+00 (-1/4)Del**2(Rho)) -0.1916219E+00 Diamond 0.2106520E+01 Metallicity 0.5951427E+01 Ellipticity 0.2110567E-01 Gb(Abramov) 0.3178185E+00 Vb(Abramov) -0.4440152E+00 Hb(Abramov) -0.1261966E+00 Ex_ueg -0.8415156E-01 Ec_ueg -0.1145836E-01 Delta_ex -0.8776591E-01 Delta_ec 0.1768472E-01 Delta_et -0.2412025E+00 Pxc 0.7344117E+01 Qxc -0.4962810E+01 3,-1 86 3 +1 -0.322363 2.807299 -0.058537 Rho 0.2704332E-01 |GRAD(Rho)| 0.8396412E-17 GRAD(Rho)x -0.5537152E-17 GRAD(Rho)y 0.2550604E-17 GRAD(Rho)z 0.5773569E-17 Laplacian 0.1046148E+00 (-1/4)Del**2(Rho)) -0.2615370E-01 Diamond 0.1529874E-01 Metallicity 0.1604920E+01 Ellipticity -0.4556782E+01 Gb(Abramov) 0.2443157E-01 Vb(Abramov) -0.2270943E-01 Hb(Abramov) 0.1722135E-02 Ex_ueg -0.5995127E-02 Ec_ueg -0.1192132E-02 Delta_ex -0.6649981E-02 Delta_ec 0.1784481E-02 Delta_et -0.1605397E-01 Pxc 0.5028910E+01 Qxc -0.3726562E+01 3,+1 87 3 +1 1.473937 0.689834 0.881553 Rho 0.5932732E-02 |GRAD(Rho)| 0.1590817E-10 GRAD(Rho)x 0.1394382E-10 GRAD(Rho)y 0.6188291E-11 GRAD(Rho)z 0.4510533E-11 Laplacian 0.2169439E-01 (-1/4)Del**2(Rho)) -0.5423598E-02 Diamond 0.3457488E-03 Metallicity 0.6175758E+00 Ellipticity -0.1359862E+01 Gb(Abramov) 0.4173979E-02 Vb(Abramov) -0.2924360E-02 Hb(Abramov) 0.1249619E-02 Ex_ueg -0.7932159E-03 Ec_ueg -0.1872703E-03 Delta_ex -0.9001516E-03 Delta_ec 0.2990327E-03 Delta_et -0.1861213E-02 Pxc 0.4235674E+01 Qxc -0.3010211E+01 3,+1 88 3 +1 1.500279 1.452007 -2.205936 Rho 0.4098912E-02 |GRAD(Rho)| 0.4869329E-17 GRAD(Rho)x 0.2037611E-17 GRAD(Rho)y -0.4301639E-17 GRAD(Rho)z -0.1026842E-17 Laplacian 0.1568689E-01 (-1/4)Del**2(Rho)) -0.3921723E-02 Diamond 0.2797432E-03 Metallicity 0.4611660E+00 Ellipticity -0.2878438E+01 Gb(Abramov) 0.2915910E-02 Vb(Abramov) -0.1910096E-02 Hb(Abramov) 0.1005814E-02 Ex_ueg -0.4844808E-03 Ec_ueg -0.1083438E-03 Delta_ex -0.7505963E-03 Delta_ec 0.4931795E-03 Delta_et -0.2523231E-02 Pxc 0.4471697E+01 Qxc -0.1521954E+01 3,+1 89 3 +1 1.111809 2.533658 -0.505242 Rho 0.2420847E-01 |GRAD(Rho)| 0.2365194E-16 GRAD(Rho)x -0.1211843E-16 GRAD(Rho)y 0.6867551E-17 GRAD(Rho)z 0.1911530E-16 Laplacian 0.9030302E-01 (-1/4)Del**2(Rho)) -0.2257576E-01 Diamond 0.9211450E-02 Metallicity 0.1545930E+01 Ellipticity -0.2108108E+01 Gb(Abramov) 0.2086726E-01 Vb(Abramov) -0.1915876E-01 Hb(Abramov) 0.1708497E-02 Ex_ueg -0.5172194E-02 Ec_ueg -0.1048945E-02 Delta_ex -0.5331695E-02 Delta_ec 0.1109842E-02 Delta_et -0.9827220E-02 Pxc 0.4930854E+01 Qxc -0.4804014E+01 3,+1 90 3 -1 -0.211585 2.398459 2.369717 Rho 0.1409220E+00 |GRAD(Rho)| 0.5438279E-15 GRAD(Rho)x -0.9879792E-16 GRAD(Rho)y 0.4016698E-15 GRAD(Rho)z -0.3530569E-15 Laplacian 0.5859073E+00 (-1/4)Del**2(Rho)) -0.1464768E+00 Diamond 0.1092377E+01 Metallicity 0.4488306E+01 Ellipticity 0.1500981E-01 Gb(Abramov) 0.2072234E+00 Vb(Abramov) -0.2679699E+00 Hb(Abramov) -0.6074652E-01 Ex_ueg -0.5416145E-01 Ec_ueg -0.7864950E-02 Delta_ex -0.6186724E-01 Delta_ec 0.1491853E-01 Delta_et -0.1964393E+00 Pxc 0.6886432E+01 Qxc -0.4147006E+01 3,-1 91 3 -1 -0.224085 2.419051 -2.388944 Rho 0.1679786E+00 |GRAD(Rho)| 0.4180249E-12 GRAD(Rho)x -0.8185057E-13 GRAD(Rho)y 0.3302048E-12 GRAD(Rho)z 0.2429199E-12 Laplacian 0.6896452E+00 (-1/4)Del**2(Rho)) -0.1724113E+00 Diamond 0.1579938E+01 Metallicity 0.5109881E+01 Ellipticity 0.1774645E-01 Gb(Abramov) 0.2617744E+00 Vb(Abramov) -0.3511375E+00 Hb(Abramov) -0.8936310E-01 Ex_ueg -0.6845267E-01 Ec_ueg -0.9604169E-02 Delta_ex -0.7598584E-01 Delta_ec 0.1668088E-01 Delta_et -0.2244460E+00 Pxc 0.7127391E+01 Qxc -0.4555265E+01 3,-1 92 3 -1 0.487196 -1.876113 1.602095 Rho 0.4446138E-01 |GRAD(Rho)| 0.1300022E-11 GRAD(Rho)x -0.5648692E-13 GRAD(Rho)y 0.1244793E-11 GRAD(Rho)z -0.3706170E-12 Laplacian 0.1732729E+00 (-1/4)Del**2(Rho)) -0.4331822E-01 Diamond 0.7422406E-01 Metallicity 0.2219154E+01 Ellipticity 0.2499934E-01 Gb(Abramov) 0.4490045E-01 Vb(Abramov) -0.4648268E-01 Hb(Abramov) -0.1582229E-02 Ex_ueg -0.1163311E-01 Ec_ueg -0.2111088E-02 Delta_ex -0.1381582E-01 Delta_ec 0.5108330E-02 Delta_et -0.5221444E-01 Pxc 0.5510480E+01 Qxc -0.2704568E+01 3,-1 93 3 +1 0.293318 -1.419427 2.420626 Rho 0.2690712E-01 |GRAD(Rho)| 0.9804438E-15 GRAD(Rho)x -0.4444471E-15 GRAD(Rho)y -0.8678315E-15 GRAD(Rho)z -0.1029823E-15 Laplacian 0.1073809E+00 (-1/4)Del**2(Rho)) -0.2684523E-01 Diamond 0.1654935E-01 Metallicity 0.1550475E+01 Ellipticity -0.6112015E+01 Gb(Abramov) 0.2483396E-01 Vb(Abramov) -0.2282269E-01 Hb(Abramov) 0.2011269E-02 Ex_ueg -0.5954902E-02 Ec_ueg -0.1185206E-02 Delta_ex -0.6910603E-02 Delta_ec 0.1999540E-02 Delta_et -0.1793707E-01 Pxc 0.5024361E+01 Qxc -0.3456096E+01 3,+1 94 3 +1 0.231970 -1.234833 -2.563111 Rho 0.2445381E-01 |GRAD(Rho)| 0.5466195E-15 GRAD(Rho)x -0.1205313E-15 GRAD(Rho)y 0.2043045E-15 GRAD(Rho)z -0.4924680E-15 Laplacian 0.9332466E-01 (-1/4)Del**2(Rho)) -0.2333116E-01 Diamond 0.1075391E-01 Metallicity 0.1521228E+01 Ellipticity -0.2589156E+01 Gb(Abramov) 0.2146945E-01 Vb(Abramov) -0.1960773E-01 Hb(Abramov) 0.1861718E-02 Ex_ueg -0.5242202E-02 Ec_ueg -0.1061254E-02 Delta_ex -0.5648656E-02 Delta_ec 0.1366700E-02 Delta_et -0.1205265E-01 Pxc 0.4939631E+01 Qxc -0.4133063E+01 3,+1 95 3 -1 -0.010057 -1.255859 -3.553531 Rho 0.9717164E-01 |GRAD(Rho)| 0.3865518E-16 GRAD(Rho)x -0.1692202E-16 GRAD(Rho)y -0.2270048E-16 GRAD(Rho)z 0.2631647E-16 Laplacian 0.3976823E+00 (-1/4)Del**2(Rho)) -0.9942057E-01 Diamond 0.4973215E+00 Metallicity 0.3558849E+01 Ellipticity 0.1847924E-01 Gb(Abramov) 0.1252508E+00 Vb(Abramov) -0.1510811E+00 Hb(Abramov) -0.2583027E-01 Ex_ueg -0.3299421E-01 Ec_ueg -0.5154041E-02 Delta_ex -0.3884500E-01 Delta_ec 0.1177960E-01 Delta_et -0.1462095E+00 Pxc 0.6401620E+01 Qxc -0.3297650E+01 3,-1 96 3 +1 1.507402 1.455473 2.171504 Rho 0.4502192E-02 |GRAD(Rho)| 0.1148236E-17 GRAD(Rho)x -0.2892928E-18 GRAD(Rho)y -0.1016098E-17 GRAD(Rho)z 0.4497774E-18 Laplacian 0.1753040E-01 (-1/4)Del**2(Rho)) -0.4382601E-02 Diamond 0.3656060E-03 Metallicity 0.4825340E+00 Ellipticity -0.3902130E+01 Gb(Abramov) 0.3274193E-02 Vb(Abramov) -0.2165785E-02 Hb(Abramov) 0.1108408E-02 Ex_ueg -0.5490565E-03 Ec_ueg -0.1255534E-03 Delta_ex -0.8655248E-03 Delta_ec 0.5721049E-03 Delta_et -0.3002374E-02 Pxc 0.4373092E+01 Qxc -0.1512878E+01 3,+1 97 3 +1 0.549238 -1.787011 -0.001909 Rho 0.7426621E-02 |GRAD(Rho)| 0.1029089E-16 GRAD(Rho)x 0.3069871E-17 GRAD(Rho)y -0.6127317E-17 GRAD(Rho)z 0.7676866E-17 Laplacian 0.2933465E-01 (-1/4)Del**2(Rho)) -0.7333663E-02 Diamond 0.6445797E-03 Metallicity 0.6640758E+00 Ellipticity -0.1377066E+01 Gb(Abramov) 0.5700794E-02 Vb(Abramov) -0.4067924E-02 Hb(Abramov) 0.1632870E-02 Ex_ueg -0.1070139E-02 Ec_ueg -0.2527898E-03 Delta_ex -0.1292506E-02 Delta_ec 0.4144158E-03 Delta_et -0.2725797E-02 Pxc 0.4233315E+01 Qxc -0.3118862E+01 3,+1 98 3 -1 0.044569 -1.171829 3.558676 Rho 0.1259691E+00 |GRAD(Rho)| 0.1775114E-13 GRAD(Rho)x 0.1422463E-14 GRAD(Rho)y -0.8982385E-14 GRAD(Rho)z -0.1524455E-13 Laplacian 0.4800993E+00 (-1/4)Del**2(Rho)) -0.1200248E+00 Diamond 0.7948148E+00 Metallicity 0.4543480E+01 Ellipticity 0.3701187E-01 Gb(Abramov) 0.1709050E+00 Vb(Abramov) -0.2217851E+00 Hb(Abramov) -0.5088013E-01 Ex_ueg -0.4663768E-01 Ec_ueg -0.6923439E-02 Delta_ex -0.4949226E-01 Delta_ec 0.1284247E-01 Delta_et -0.1666784E+00 Pxc 0.6736202E+01 Qxc -0.3853796E+01 3,-1 99 3 -1 -0.142945 -0.051140 -4.619467 Rho 0.1903367E+00 |GRAD(Rho)| 0.8378241E-15 GRAD(Rho)x -0.2816257E-16 GRAD(Rho)y -0.1935707E-15 GRAD(Rho)z -0.8146695E-15 Laplacian 0.7254130E+00 (-1/4)Del**2(Rho)) -0.1813532E+00 Diamond 0.1956147E+01 Metallicity 0.5982719E+01 Ellipticity 0.2453503E-01 Gb(Abramov) 0.3017331E+00 Vb(Abramov) -0.4221129E+00 Hb(Abramov) -0.1203798E+00 Ex_ueg -0.8086272E-01 Ec_ueg -0.1107396E-01 Delta_ex -0.8266986E-01 Delta_ec 0.1729975E-01 Delta_et -0.2367807E+00 Pxc 0.7302059E+01 Qxc -0.4778674E+01 3,-1 100 3 -1 0.173984 -0.439282 -2.463806 Rho 0.4341080E-01 |GRAD(Rho)| 0.3496184E-16 GRAD(Rho)x 0.7959357E-17 GRAD(Rho)y -0.3302116E-16 GRAD(Rho)z 0.8281441E-17 Laplacian 0.1810707E+00 (-1/4)Del**2(Rho)) -0.4526767E-01 Diamond 0.8210489E-01 Metallicity 0.2040616E+01 Ellipticity 0.2701169E-01 Gb(Abramov) 0.4557411E-01 Vb(Abramov) -0.4588054E-01 Hb(Abramov) -0.3064343E-03 Ex_ueg -0.1126805E-01 Ec_ueg -0.2054022E-02 Delta_ex -0.1471692E-01 Delta_ec 0.5991518E-02 Delta_et -0.6096813E-01 Pxc 0.5485846E+01 Qxc -0.2456293E+01 3,-1 101 3 +1 1.628282 -0.678603 -0.002871 Rho 0.6416545E-02 |GRAD(Rho)| 0.1389821E-15 GRAD(Rho)x 0.8500861E-16 GRAD(Rho)y 0.1694491E-17 GRAD(Rho)z 0.1099395E-15 Laplacian 0.2377675E-01 (-1/4)Del**2(Rho)) -0.5944188E-02 Diamond 0.4344712E-03 Metallicity 0.6421394E+00 Ellipticity -0.1404570E+01 Gb(Abramov) 0.4598958E-02 Vb(Abramov) -0.3253729E-02 Hb(Abramov) 0.1345230E-02 Ex_ueg -0.8806162E-03 Ec_ueg -0.2083727E-03 Delta_ex -0.1014434E-02 Delta_ec 0.3431896E-03 Delta_et -0.2166479E-02 Pxc 0.4226158E+01 Qxc -0.2955900E+01 3,+1 102 3 -1 0.113821 -0.370903 -0.674632 Rho 0.1749311E+00 |GRAD(Rho)| 0.6071532E-16 GRAD(Rho)x 0.4857226E-16 GRAD(Rho)y 0.3642919E-16 GRAD(Rho)z 0.0000000E+00 Laplacian 0.4388188E+00 (-1/4)Del**2(Rho)) -0.1097047E+00 Diamond 0.1087225E+01 Metallicity 0.8592239E+01 Ellipticity 0.8529609E-02 Gb(Abramov) 0.2302380E+00 Vb(Abramov) -0.3507712E+00 Hb(Abramov) -0.1205333E+00 Ex_ueg -0.7225608E-01 Ec_ueg -0.1005813E-01 Delta_ex -0.4910183E-01 Delta_ec 0.1096192E-01 Delta_et -0.1494949E+00 Pxc 0.7183846E+01 Qxc -0.4479310E+01 3,-1 103 3 -1 0.108684 -0.366699 0.657671 Rho 0.1724562E+00 |GRAD(Rho)| 0.6315825E-12 GRAD(Rho)x -0.2628401E-12 GRAD(Rho)y 0.2633345E-12 GRAD(Rho)z -0.5103591E-12 Laplacian 0.4287339E+00 (-1/4)Del**2(Rho)) -0.1071835E+00 Diamond 0.1048874E+01 Metallicity 0.8587958E+01 Ellipticity 0.1007774E-01 Gb(Abramov) 0.2248702E+00 Vb(Abramov) -0.3425569E+00 Hb(Abramov) -0.1176867E+00 Ex_ueg -0.7089627E-01 Ec_ueg -0.9896210E-02 Delta_ex -0.4784171E-01 Delta_ec 0.1081809E-01 Delta_et -0.1474724E+00 Pxc 0.7163982E+01 Qxc -0.4422379E+01 3,-1 104 3 -1 0.217490 -0.415660 2.446174 Rho 0.4862737E-01 |GRAD(Rho)| 0.4361053E-13 GRAD(Rho)x -0.3561179E-13 GRAD(Rho)y -0.6380102E-14 GRAD(Rho)z -0.2435103E-13 Laplacian 0.1896099E+00 (-1/4)Del**2(Rho)) -0.4740247E-01 Diamond 0.9231077E-01 Metallicity 0.2354436E+01 Ellipticity 0.3312374E-01 Gb(Abramov) 0.5020266E-01 Vb(Abramov) -0.5300285E-01 Hb(Abramov) -0.2800189E-02 Ex_ueg -0.1310870E-01 Ec_ueg -0.2339142E-02 Delta_ex -0.1548770E-01 Delta_ec 0.5631766E-02 Delta_et -0.5894988E-01 Pxc 0.5604062E+01 Qxc -0.2750062E+01 3,-1 105 3 -1 -0.113049 2.366616 0.844497 Rho 0.4664703E-01 |GRAD(Rho)| 0.1251680E-10 GRAD(Rho)x 0.2207173E-11 GRAD(Rho)y -0.1152474E-10 GRAD(Rho)z 0.4356505E-11 Laplacian 0.1780689E+00 (-1/4)Del**2(Rho)) -0.4451722E-01 Diamond 0.8018392E-01 Metallicity 0.2339188E+01 Ellipticity 0.1469694E-01 Gb(Abramov) 0.4703384E-01 Vb(Abramov) -0.4955046E-01 Hb(Abramov) -0.2516620E-02 Ex_ueg -0.1240177E-01 Ec_ueg -0.2230390E-02 Delta_ex -0.1431153E-01 Delta_ec 0.5143403E-02 Delta_et -0.5321929E-01 Pxc 0.5560361E+01 Qxc -0.2782501E+01 3,-1 106 3 -1 0.505234 3.378907 -1.534783 Rho 0.1635647E+00 |GRAD(Rho)| 0.2210999E-14 GRAD(Rho)x -0.2097850E-14 GRAD(Rho)y -0.4115902E-15 GRAD(Rho)z -0.5640359E-15 Laplacian 0.6369678E+00 (-1/4)Del**2(Rho)) -0.1592420E+00 Diamond 0.1428170E+01 Metallicity 0.5292305E+01 Ellipticity 0.3768989E-01 Gb(Abramov) 0.2466208E+00 Vb(Abramov) -0.3339996E+00 Hb(Abramov) -0.8737883E-01 Ex_ueg -0.6606494E-01 Ec_ueg -0.9317428E-02 Delta_ex -0.6984792E-01 Delta_ec 0.1574834E-01 Delta_et -0.2118723E+00 Pxc 0.7090469E+01 Qxc -0.4435257E+01 3,-1 107 3 -1 0.503674 3.371140 1.558978 Rho 0.1633538E+00 |GRAD(Rho)| 0.1616003E-13 GRAD(Rho)x -0.1525654E-13 GRAD(Rho)y -0.2167781E-14 GRAD(Rho)z 0.4866760E-14 Laplacian 0.6376506E+00 (-1/4)Del**2(Rho)) -0.1594126E+00 Diamond 0.1426836E+01 Metallicity 0.5275284E+01 Ellipticity 0.3572947E-01 Gb(Abramov) 0.2464329E+00 Vb(Abramov) -0.3334532E+00 Hb(Abramov) -0.8702027E-01 Ex_ueg -0.6595141E-01 Ec_ueg -0.9303759E-02 Delta_ex -0.6989457E-01 Delta_ec 0.1576007E-01 Delta_et -0.2119696E+00 Pxc 0.7088684E+01 Qxc -0.4434914E+01 3,-1 108 3 -1 0.297753 -2.554852 2.757741 Rho 0.1375622E+00 |GRAD(Rho)| 0.6541597E-14 GRAD(Rho)x -0.5941597E-15 GRAD(Rho)y -0.5041743E-14 GRAD(Rho)z 0.4125565E-14 Laplacian 0.5362476E+00 (-1/4)Del**2(Rho)) -0.1340619E+00 Diamond 0.9815219E+00 Metallicity 0.4710638E+01 Ellipticity 0.5441987E-01 Gb(Abramov) 0.1946274E+00 Vb(Abramov) -0.2551930E+00 Hb(Abramov) -0.6056555E-01 Ex_ueg -0.5244659E-01 Ec_ueg -0.7652135E-02 Delta_ex -0.5640630E-01 Delta_ec 0.1394044E-01 Delta_et -0.1833245E+00 Pxc 0.6853851E+01 Qxc -0.4046236E+01 3,-1 109 3 -1 -0.337154 -3.115141 -1.576456 Rho 0.1331924E+00 |GRAD(Rho)| 0.2259256E-13 GRAD(Rho)x 0.2000464E-13 GRAD(Rho)y -0.8160572E-15 GRAD(Rho)z -0.1046767E-13 Laplacian 0.5002838E+00 (-1/4)Del**2(Rho)) -0.1250710E+00 Diamond 0.8890776E+00 Metallicity 0.4784784E+01 Ellipticity 0.1006975E+00 Gb(Abramov) 0.1831202E+00 Vb(Abramov) -0.2411695E+00 Hb(Abramov) -0.5804926E-01 Ex_ueg -0.5023706E-01 Ec_ueg -0.7376429E-02 Delta_ex -0.5230931E-01 Delta_ec 0.1327833E-01 Delta_et -0.1740664E+00 Pxc 0.6810485E+01 Qxc -0.3939449E+01 3,-1 110 3 +1 1.506505 -0.479502 -2.214990 Rho 0.2267560E-01 |GRAD(Rho)| 0.6027450E-16 GRAD(Rho)x -0.4058526E-16 GRAD(Rho)y -0.4439047E-16 GRAD(Rho)z -0.3916453E-17 Laplacian 0.8188323E-01 (-1/4)Del**2(Rho)) -0.2047081E-01 Diamond 0.8887511E-02 Metallicity 0.1528796E+01 Ellipticity -0.3375980E+01 Gb(Abramov) 0.1886315E-01 Vb(Abramov) -0.1725550E-01 Hb(Abramov) 0.1607653E-02 Ex_ueg -0.4740202E-02 Ec_ueg -0.9724118E-03 Delta_ex -0.4903184E-02 Delta_ec 0.1284331E-02 Delta_et -0.1109891E-01 Pxc 0.4874686E+01 Qxc -0.3817696E+01 3,+1 111 3 -1 -0.100036 0.010736 4.559058 Rho 0.2181025E+00 |GRAD(Rho)| 0.5352487E-12 GRAD(Rho)x 0.1480568E-13 GRAD(Rho)y -0.7917983E-13 GRAD(Rho)z -0.5291527E-12 Laplacian 0.8132742E+00 (-1/4)Del**2(Rho)) -0.2033186E+00 Diamond 0.2569158E+01 Metallicity 0.6695926E+01 Ellipticity 0.2062835E-01 Gb(Abramov) 0.3624467E+00 Vb(Abramov) -0.5215748E+00 Hb(Abramov) -0.1591281E+00 Ex_ueg -0.9696150E-01 Ec_ueg -0.1293855E-01 Delta_ex -0.9588210E-01 Delta_ec 0.1853181E-01 Delta_et -0.2557932E+00 Pxc 0.7493998E+01 Qxc -0.5173919E+01 3,-1 112 3 -1 0.744844 -4.014527 -2.227912 Rho 0.2236579E+00 |GRAD(Rho)| 0.3731904E-15 GRAD(Rho)x -0.8136260E-16 GRAD(Rho)y -0.3400058E-15 GRAD(Rho)z 0.1305650E-15 Laplacian 0.8225388E+00 (-1/4)Del**2(Rho)) -0.2056347E+00 Diamond 0.2679884E+01 Metallicity 0.6903941E+01 Ellipticity 0.2974848E-02 Gb(Abramov) 0.3737048E+00 Vb(Abramov) -0.5417748E+00 Hb(Abramov) -0.1680701E+00 Ex_ueg -0.1002684E+00 Ec_ueg -0.1331675E-01 Delta_ex -0.9761665E-01 Delta_ec 0.1862622E-01 Delta_et -0.2575332E+00 Pxc 0.7529494E+01 Qxc -0.5240820E+01 3,-1 113 3 -1 0.582793 -3.974379 2.248204 Rho 0.2201425E+00 |GRAD(Rho)| 0.1623839E-15 GRAD(Rho)x -0.3291231E-16 GRAD(Rho)y -0.7144892E-16 GRAD(Rho)z -0.1420576E-15 Laplacian 0.8153698E+00 (-1/4)Del**2(Rho)) -0.2038425E+00 Diamond 0.2606292E+01 Metallicity 0.6783155E+01 Ellipticity 0.1389843E-01 Gb(Abramov) 0.3663441E+00 Vb(Abramov) -0.5288458E+00 Hb(Abramov) -0.1625017E+00 Ex_ueg -0.9817260E-01 Ec_ueg -0.1307723E-01 Delta_ex -0.9636963E-01 Delta_ec 0.1854660E-01 Delta_et -0.2562009E+00 Pxc 0.7507138E+01 Qxc -0.5196082E+01 3,-1 114 3 -1 0.355127 -2.635969 -2.742693 Rho 0.1604777E+00 |GRAD(Rho)| 0.4199171E-12 GRAD(Rho)x -0.7601225E-13 GRAD(Rho)y 0.3709816E-12 GRAD(Rho)z -0.1814529E-12 Laplacian 0.6323593E+00 (-1/4)Del**2(Rho)) -0.1580898E+00 Diamond 0.1382976E+01 Metallicity 0.5164250E+01 Ellipticity 0.5270197E-01 Gb(Abramov) 0.2414624E+00 Vb(Abramov) -0.3248350E+00 Hb(Abramov) -0.8337260E-01 Ex_ueg -0.6440774E-01 Ec_ueg -0.9117578E-02 Delta_ex -0.6898964E-01 Delta_ec 0.1566519E-01 Delta_et -0.2101396E+00 Pxc 0.7064128E+01 Qxc -0.4404010E+01 3,-1 115 3 +3 1.190620 1.106618 1.665084 Rho 0.3691860E-02 |GRAD(Rho)| 0.8069191E-17 GRAD(Rho)x -0.4996451E-17 GRAD(Rho)y -0.5835324E-17 GRAD(Rho)z -0.2469071E-17 Laplacian 0.1470858E-01 (-1/4)Del**2(Rho)) -0.3677146E-02 Diamond 0.9290840E-04 Metallicity 0.4131595E+00 Ellipticity -0.1507518E+00 Gb(Abramov) 0.2704639E-02 Vb(Abramov) -0.1732131E-02 Hb(Abramov) 0.9725074E-03 Ex_ueg -0.4214170E-03 Ec_ueg -0.9106001E-04 Delta_ex -0.5023704E-03 Delta_ec 0.1269760E-03 Delta_et -0.7683517E-03 Pxc 0.4627905E+01 Qxc -0.3956420E+01 3,+3 116 3 -1 -0.012542 0.861790 3.251130 Rho 0.1250394E+00 |GRAD(Rho)| 0.2393797E-14 GRAD(Rho)x -0.4378330E-15 GRAD(Rho)y 0.2264736E-14 GRAD(Rho)z -0.6399503E-15 Laplacian 0.5117710E+00 (-1/4)Del**2(Rho)) -0.1279428E+00 Diamond 0.8375104E+00 Metallicity 0.4210000E+01 Ellipticity 0.6353119E-02 Gb(Abramov) 0.1750683E+00 Vb(Abramov) -0.2221939E+00 Hb(Abramov) -0.4712558E-01 Ex_ueg -0.4617931E-01 Ec_ueg -0.6865389E-02 Delta_ex -0.5263547E-01 Delta_ec 0.1366307E-01 Delta_et -0.1770182E+00 Pxc 0.6726394E+01 Qxc -0.3852389E+01 3,-1 117 3 +3 1.202949 1.126644 -1.716267 Rho 0.3464944E-02 |GRAD(Rho)| 0.2364030E-15 GRAD(Rho)x -0.9442155E-16 GRAD(Rho)y 0.8587278E-16 GRAD(Rho)z 0.1989895E-15 Laplacian 0.1356728E-01 (-1/4)Del**2(Rho)) -0.3391819E-02 Diamond 0.8036164E-04 Metallicity 0.4029775E+00 Ellipticity -0.1324830E+00 Gb(Abramov) 0.2489017E-02 Vb(Abramov) -0.1586215E-02 Hb(Abramov) 0.9028020E-03 Ex_ueg -0.3872398E-03 Ec_ueg -0.8146324E-04 Delta_ex -0.4586306E-03 Delta_ec 0.1217585E-03 Delta_et -0.7185910E-03 Pxc 0.4753552E+01 Qxc -0.3766722E+01 3,+3 118 3 -1 0.568732 -1.894193 -1.614565 Rho 0.4163446E-01 |GRAD(Rho)| 0.1059562E-15 GRAD(Rho)x -0.8425701E-17 GRAD(Rho)y 0.1041262E-15 GRAD(Rho)z 0.1770468E-16 Laplacian 0.1609171E+00 (-1/4)Del**2(Rho)) -0.4022928E-01 Diamond 0.6262680E-01 Metallicity 0.2141735E+01 Ellipticity 0.2127567E-01 Gb(Abramov) 0.4117959E-01 Vb(Abramov) -0.4212991E-01 Hb(Abramov) -0.9503187E-03 Ex_ueg -0.1065751E-01 Ec_ueg -0.1957963E-02 Delta_ex -0.1259918E-01 Delta_ec 0.4705582E-02 Delta_et -0.4725812E-01 Pxc 0.5443160E+01 Qxc -0.2677497E+01 3,-1 119 3 +1 1.398889 -1.502642 -2.897865 Rho 0.1106185E-01 |GRAD(Rho)| 0.2056885E-16 GRAD(Rho)x 0.4453999E-17 GRAD(Rho)y -0.1630406E-16 GRAD(Rho)z 0.1172250E-16 Laplacian 0.4722500E-01 (-1/4)Del**2(Rho)) -0.1180625E-01 Diamond 0.1341233E-02 Metallicity 0.8013480E+00 Ellipticity -0.1168278E+01 Gb(Abramov) 0.9447652E-02 Vb(Abramov) -0.7089054E-02 Hb(Abramov) 0.2358597E-02 Ex_ueg -0.1820353E-02 Ec_ueg -0.4164360E-03 Delta_ex -0.2159001E-02 Delta_ec 0.4109439E-03 Delta_et -0.3182099E-02 Pxc 0.4371268E+01 Qxc -0.5253760E+01 3,+1 120 3 +1 1.647062 -1.328284 1.717006 Rho 0.2207967E-01 |GRAD(Rho)| 0.7162991E-14 GRAD(Rho)x 0.2471459E-14 GRAD(Rho)y 0.4577986E-14 GRAD(Rho)z 0.4923654E-14 Laplacian 0.8122552E-01 (-1/4)Del**2(Rho)) -0.2030638E-01 Diamond 0.7881201E-02 Metallicity 0.1474263E+01 Ellipticity -0.2420933E+01 Gb(Abramov) 0.1852708E-01 Vb(Abramov) -0.1674777E-01 Hb(Abramov) 0.1779303E-02 Ex_ueg -0.4574832E-02 Ec_ueg -0.9428349E-03 Delta_ex -0.4750044E-02 Delta_ec 0.1132744E-02 Delta_et -0.9774026E-02 Pxc 0.4852209E+01 Qxc -0.4193395E+01 3,+1 121 3 -1 1.376964 2.086082 0.006533 Rho 0.3769244E-01 |GRAD(Rho)| 0.3502330E-16 GRAD(Rho)x -0.3494985E-16 GRAD(Rho)y -0.1266526E-17 GRAD(Rho)z 0.1880261E-17 Laplacian 0.1541709E+00 (-1/4)Del**2(Rho)) -0.3854272E-01 Diamond 0.5726923E-01 Metallicity 0.1893948E+01 Ellipticity 0.1447473E-01 Gb(Abramov) 0.3786146E-01 Vb(Abramov) -0.3718020E-01 Hb(Abramov) 0.6812578E-03 Ex_ueg -0.9333777E-02 Ec_ueg -0.1746806E-02 Delta_ex -0.1208151E-01 Delta_ec 0.5056361E-02 Delta_et -0.4948452E-01 Pxc 0.5343340E+01 Qxc -0.2389369E+01 3,-1 122 3 +3 1.296644 -1.383998 2.671364 Rho 0.1156874E-01 |GRAD(Rho)| 0.2461162E-16 GRAD(Rho)x -0.1724160E-16 GRAD(Rho)y 0.1653878E-16 GRAD(Rho)z 0.5909963E-17 Laplacian 0.5118185E-01 (-1/4)Del**2(Rho)) -0.1279546E-01 Diamond 0.1060610E-02 Metallicity 0.7967228E+00 Ellipticity -0.7195677E+00 Gb(Abramov) 0.1022938E-01 Vb(Abramov) -0.7663299E-02 Hb(Abramov) 0.2566081E-02 Ex_ueg -0.1932412E-02 Ec_ueg -0.4396972E-03 Delta_ex -0.2221660E-02 Delta_ec 0.1822499E-03 Delta_et -0.1731914E-02 Pxc 0.4394870E+01 Qxc -0.1219019E+02 3,+3 123 3 +1 1.409519 -1.490363 2.887844 Rho 0.1177824E-01 |GRAD(Rho)| 0.6489707E-17 GRAD(Rho)x -0.2251834E-17 GRAD(Rho)y 0.8627677E-18 GRAD(Rho)z -0.6025046E-17 Laplacian 0.5281518E-01 (-1/4)Del**2(Rho)) -0.1320379E-01 Diamond 0.1636074E-02 Metallicity 0.7955277E+00 Ellipticity -0.1147722E+01 Gb(Abramov) 0.1055319E-01 Vb(Abramov) -0.7902593E-02 Hb(Abramov) 0.2650601E-02 Ex_ueg -0.1979213E-02 Ec_ueg -0.4493416E-03 Delta_ex -0.2456926E-02 Delta_ec 0.4597926E-03 Delta_et -0.3607157E-02 Pxc 0.4404694E+01 Qxc -0.5343552E+01 3,+1 124 3 -1 -0.073441 0.863262 -3.281327 Rho 0.9296111E-01 |GRAD(Rho)| 0.2309894E-12 GRAD(Rho)x 0.3779359E-13 GRAD(Rho)y -0.2105022E-12 GRAD(Rho)z -0.8727283E-13 Laplacian 0.4037752E+00 (-1/4)Del**2(Rho)) -0.1009438E+00 Diamond 0.4813281E+00 Metallicity 0.3255684E+01 Ellipticity 0.1873643E-02 Gb(Abramov) 0.1220694E+00 Vb(Abramov) -0.1431950E+00 Hb(Abramov) -0.2112559E-01 Ex_ueg -0.3110189E-01 Ec_ueg -0.4900671E-02 Delta_ex -0.3909439E-01 Delta_ec 0.1216356E-01 Delta_et -0.1496534E+00 Pxc 0.6346455E+01 Qxc -0.3214059E+01 3,-1 125 3 +1 1.093378 2.530101 0.536798 Rho 0.2376217E-01 |GRAD(Rho)| 0.7524392E-15 GRAD(Rho)x 0.6924541E-15 GRAD(Rho)y 0.2943754E-15 GRAD(Rho)z 0.3896626E-17 Laplacian 0.8815485E-01 (-1/4)Del**2(Rho)) -0.2203871E-01 Diamond 0.8953534E-02 Metallicity 0.1535243E+01 Ellipticity -0.2189548E+01 Gb(Abramov) 0.2033160E-01 Vb(Abramov) -0.1862450E-01 Hb(Abramov) 0.1707109E-02 Ex_ueg -0.5045449E-02 Ec_ueg -0.1026595E-02 Delta_ex -0.5200082E-02 Delta_ec 0.1122891E-02 Delta_et -0.9888659E-02 Pxc 0.4914740E+01 Qxc -0.4630976E+01 3,+1 126 3 +1 2.121442 -2.147892 -0.107765 Rho 0.4956856E-02 |GRAD(Rho)| 0.4434774E-17 GRAD(Rho)x 0.4141321E-17 GRAD(Rho)y 0.8595927E-18 GRAD(Rho)z 0.1333334E-17 Laplacian 0.1947686E-01 (-1/4)Del**2(Rho)) -0.4869214E-02 Diamond 0.4722096E-03 Metallicity 0.5098449E+00 Ellipticity -0.6553111E+01 Gb(Abramov) 0.3659900E-02 Vb(Abramov) -0.2450586E-02 Hb(Abramov) 0.1209314E-02 Ex_ueg -0.6242043E-03 Ec_ueg -0.1450566E-03 Delta_ex -0.9886105E-03 Delta_ec 0.6523357E-03 Delta_et -0.3517729E-02 Pxc 0.4303178E+01 Qxc -0.1515494E+01 3,+1 127 3 -1 1.750672 -0.613596 -1.646001 Rho 0.2779291E-01 |GRAD(Rho)| 0.5517942E-15 GRAD(Rho)x -0.3787465E-15 GRAD(Rho)y -0.4003170E-15 GRAD(Rho)z -0.2782498E-16 Laplacian 0.1113560E+00 (-1/4)Del**2(Rho)) -0.2783899E-01 Diamond 0.2635487E-01 Metallicity 0.1578059E+01 Ellipticity 0.1330579E+00 Gb(Abramov) 0.2588126E-01 Vb(Abramov) -0.2392352E-01 Hb(Abramov) 0.1957738E-02 Ex_ueg -0.6217711E-02 Ec_ueg -0.1230336E-02 Delta_ex -0.8021363E-02 Delta_ec 0.3489776E-02 Delta_et -0.3136181E-01 Pxc 0.5053671E+01 Qxc -0.2298532E+01 3,-1 128 3 -1 1.736519 -0.664174 1.603694 Rho 0.2985372E-01 |GRAD(Rho)| 0.5098202E-16 GRAD(Rho)x -0.4986208E-16 GRAD(Rho)y -0.4322661E-17 GRAD(Rho)z -0.9708480E-17 Laplacian 0.1214616E+00 (-1/4)Del**2(Rho)) -0.3036540E-01 Diamond 0.3202634E-01 Metallicity 0.1629939E+01 Ellipticity 0.4947641E-01 Gb(Abramov) 0.2849256E-01 Vb(Abramov) -0.2661972E-01 Hb(Abramov) 0.1872840E-02 Ex_ueg -0.6839897E-02 Ec_ueg -0.1336064E-02 Delta_ex -0.8929572E-02 Delta_ec 0.3858259E-02 Delta_et -0.3537638E-01 Pxc 0.5119438E+01 Qxc -0.2314405E+01 3,-1 129 3 -1 0.984113 -0.164672 -3.568454 Rho 0.8782298E-01 |GRAD(Rho)| 0.1568131E-15 GRAD(Rho)x -0.1460217E-15 GRAD(Rho)y 0.5714894E-16 GRAD(Rho)z 0.1420474E-17 Laplacian 0.3696726E+00 (-1/4)Del**2(Rho)) -0.9241816E-01 Diamond 0.3988420E+00 Metallicity 0.3234517E+01 Ellipticity 0.4204119E-02 Gb(Abramov) 0.1114335E+00 Vb(Abramov) -0.1304488E+00 Hb(Abramov) -0.1901530E-01 Ex_ueg -0.2883119E-01 Ec_ueg -0.4593519E-02 Delta_ex -0.3508003E-01 Delta_ec 0.1081284E-01 Delta_et -0.1309728E+00 Pxc 0.6276494E+01 Qxc -0.3244294E+01 3,-1 130 3 -1 1.005314 -0.127520 3.526363 Rho 0.1218322E+00 |GRAD(Rho)| 0.2705864E-13 GRAD(Rho)x -0.1559686E-13 GRAD(Rho)y 0.2061240E-13 GRAD(Rho)z 0.8002326E-14 Laplacian 0.4957063E+00 (-1/4)Del**2(Rho)) -0.1239266E+00 Diamond 0.7691105E+00 Metallicity 0.4162224E+01 Ellipticity 0.2430933E-01 Gb(Abramov) 0.1685861E+00 Vb(Abramov) -0.2132456E+00 Hb(Abramov) -0.4465950E-01 Ex_ueg -0.4460680E-01 Ec_ueg -0.6665585E-02 Delta_ex -0.5044195E-01 Delta_ec 0.1291234E-01 Delta_et -0.1658737E+00 Pxc 0.6692106E+01 Qxc -0.3906492E+01 3,-1 131 3 -1 1.483848 -2.761341 2.002130 Rho 0.1295988E+00 |GRAD(Rho)| 0.1555750E-13 GRAD(Rho)x -0.1409772E-13 GRAD(Rho)y -0.5880740E-14 GRAD(Rho)z -0.2950760E-14 Laplacian 0.5205062E+00 (-1/4)Del**2(Rho)) -0.1301266E+00 Diamond 0.8739559E+00 Metallicity 0.4393955E+01 Ellipticity 0.1602615E-01 Gb(Abramov) 0.1820461E+00 Vb(Abramov) -0.2339656E+00 Hb(Abramov) -0.5191953E-01 Ex_ueg -0.4843803E-01 Ec_ueg -0.7150636E-02 Delta_ex -0.5381072E-01 Delta_ec 0.1344800E-01 Delta_et -0.1746666E+00 Pxc 0.6773947E+01 Qxc -0.4001392E+01 3,-1 132 3 -1 1.598970 -2.776412 -2.014274 Rho 0.1628355E+00 |GRAD(Rho)| 0.4866380E-15 GRAD(Rho)x -0.4207247E-15 GRAD(Rho)y -0.2401372E-15 GRAD(Rho)z 0.4627510E-16 Laplacian 0.6471826E+00 (-1/4)Del**2(Rho)) -0.1617957E+00 Diamond 0.1436976E+01 Metallicity 0.5170128E+01 Ellipticity 0.4282139E-01 Gb(Abramov) 0.2472811E+00 Vb(Abramov) -0.3327666E+00 Hb(Abramov) -0.8548549E-01 Ex_ueg -0.6567252E-01 Ec_ueg -0.9270168E-02 Delta_ex -0.7083269E-01 Delta_ec 0.1591823E-01 Delta_et -0.2137774E+00 Pxc 0.7084286E+01 Qxc -0.4449784E+01 3,-1 133 3 +1 1.704944 -1.292892 -1.744123 Rho 0.1998602E-01 |GRAD(Rho)| 0.1262147E-16 GRAD(Rho)x -0.8816422E-19 GRAD(Rho)y -0.6517803E-17 GRAD(Rho)z -0.1080796E-16 Laplacian 0.7285804E-01 (-1/4)Del**2(Rho)) -0.1821451E-01 Diamond 0.5733666E-02 Metallicity 0.1392129E+01 Ellipticity -0.2006308E+01 Gb(Abramov) 0.1636917E-01 Vb(Abramov) -0.1452382E-01 Hb(Abramov) 0.1845345E-02 Ex_ueg -0.4005777E-02 Ec_ueg -0.8397426E-03 Delta_ex -0.4084351E-02 Delta_ec 0.9043085E-03 Delta_et -0.7673979E-02 Pxc 0.4770245E+01 Qxc -0.4516546E+01 3,+1 134 3 +3 1.577873 -1.626741 -0.001538 Rho 0.3824955E-02 |GRAD(Rho)| 0.3062002E-17 GRAD(Rho)x -0.9120862E-18 GRAD(Rho)y -0.2922529E-17 GRAD(Rho)z 0.5271073E-19 Laplacian 0.1528278E-01 (-1/4)Del**2(Rho)) -0.3820695E-02 Diamond 0.9589611E-04 Metallicity 0.4218144E+00 Ellipticity -0.2351460E+00 Gb(Abramov) 0.2815734E-02 Vb(Abramov) -0.1810773E-02 Hb(Abramov) 0.1004961E-02 Ex_ueg -0.4417944E-03 Ec_ueg -0.9670168E-04 Delta_ex -0.5195421E-03 Delta_ec 0.1191764E-03 Delta_et -0.7465156E-03 Pxc 0.4568632E+01 Qxc -0.4359437E+01 3,+3 135 3 +1 1.531739 -0.492785 2.172114 Rho 0.2328074E-01 |GRAD(Rho)| 0.3825312E-16 GRAD(Rho)x 0.2428514E-16 GRAD(Rho)y 0.9198842E-17 GRAD(Rho)z 0.2808763E-16 Laplacian 0.8626438E-01 (-1/4)Del**2(Rho)) -0.2156609E-01 Diamond 0.8787639E-02 Metallicity 0.1516270E+01 Ellipticity -0.2327735E+01 Gb(Abramov) 0.1982740E-01 Vb(Abramov) -0.1808870E-01 Hb(Abramov) 0.1738696E-02 Ex_ueg -0.4909616E-02 Ec_ueg -0.1002548E-02 Delta_ex -0.5092180E-02 Delta_ec 0.1156576E-02 Delta_et -0.1011810E-01 Pxc 0.4897139E+01 Qxc -0.4402805E+01 3,+1 136 3 -1 1.905474 3.122302 -0.707285 Rho 0.9546444E-01 |GRAD(Rho)| 0.6865223E-13 GRAD(Rho)x 0.3993396E-13 GRAD(Rho)y -0.3223608E-13 GRAD(Rho)z 0.4559870E-13 Laplacian 0.3992285E+00 (-1/4)Del**2(Rho)) -0.9980712E-01 Diamond 0.4856912E+00 Metallicity 0.3441869E+01 Ellipticity 0.7508920E-02 Gb(Abramov) 0.1237919E+00 Vb(Abramov) -0.1477767E+00 Hb(Abramov) -0.2398481E-01 Ex_ueg -0.3222359E-01 Ec_ueg -0.5051133E-02 Delta_ex -0.3878394E-01 Delta_ec 0.1177289E-01 Delta_et -0.1454769E+00 Pxc 0.6379478E+01 Qxc -0.3294343E+01 3,-1 137 3 +3 1.300888 -1.400231 -2.708454 Rho 0.1092354E-01 |GRAD(Rho)| 0.1039439E-16 GRAD(Rho)x 0.1035604E-17 GRAD(Rho)y -0.7751568E-17 GRAD(Rho)z -0.6847193E-17 Laplacian 0.4598929E-01 (-1/4)Del**2(Rho)) -0.1149732E-01 Diamond 0.9046572E-03 Metallicity 0.8058032E+00 Ellipticity -0.6986287E+00 Gb(Abramov) 0.9208979E-02 Vb(Abramov) -0.6920634E-02 Hb(Abramov) 0.2288344E-02 Ex_ueg -0.1790069E-02 Ec_ueg -0.4101068E-03 Delta_ex -0.1971078E-02 Delta_ec 0.1785354E-03 Delta_et -0.1644935E-02 Pxc 0.4364885E+01 Qxc -0.1104027E+02 3,+3 138 3 -1 1.909049 3.109992 0.759049 Rho 0.9787657E-01 |GRAD(Rho)| 0.3261588E-15 GRAD(Rho)x 0.1437720E-15 GRAD(Rho)y -0.1624948E-15 GRAD(Rho)z -0.2435254E-15 Laplacian 0.4097155E+00 (-1/4)Del**2(Rho)) -0.1024289E+00 Diamond 0.5145319E+00 Metallicity 0.3496193E+01 Ellipticity 0.1004797E-01 Gb(Abramov) 0.1279711E+00 Vb(Abramov) -0.1535133E+00 Hb(Abramov) -0.2554222E-01 Ex_ueg -0.3331374E-01 Ec_ueg -0.5196602E-02 Delta_ex -0.4004568E-01 Delta_ec 0.1204414E-01 Delta_et -0.1496381E+00 Pxc 0.6410677E+01 Qxc -0.3324909E+01 3,-1 139 3 +1 3.080262 0.583981 -0.022040 Rho 0.1114626E-01 |GRAD(Rho)| 0.1992000E-16 GRAD(Rho)x -0.3181644E-17 GRAD(Rho)y 0.1945141E-16 GRAD(Rho)z -0.2885478E-17 Laplacian 0.4865893E-01 (-1/4)Del**2(Rho)) -0.1216473E-01 Diamond 0.1597476E-02 Metallicity 0.7876485E+00 Ellipticity -0.1268554E+01 Gb(Abramov) 0.9706744E-02 Vb(Abramov) -0.7248756E-02 Hb(Abramov) 0.2457989E-02 Ex_ueg -0.1838896E-02 Ec_ueg -0.4203021E-03 Delta_ex -0.2293302E-02 Delta_ec 0.5378231E-03 Delta_et -0.4035158E-02 Pxc 0.4375177E+01 Qxc -0.4264045E+01 3,+1 140 3 -1 2.480037 -0.332964 -2.779630 Rho 0.1491148E+00 |GRAD(Rho)| 0.8048307E-15 GRAD(Rho)x 0.3488420E-15 GRAD(Rho)y -0.2493394E-15 GRAD(Rho)z 0.6810958E-15 Laplacian 0.5959969E+00 (-1/4)Del**2(Rho)) -0.1489992E+00 Diamond 0.1213602E+01 Metallicity 0.4848084E+01 Ellipticity 0.1545873E-01 Gb(Abramov) 0.2197263E+00 Vb(Abramov) -0.2904534E+00 Hb(Abramov) -0.7072706E-01 Ex_ueg -0.5839996E-01 Ec_ueg -0.8386870E-02 Delta_ex -0.6405571E-01 Delta_ec 0.1540165E-01 Delta_et -0.2054461E+00 Pxc 0.6963261E+01 Qxc -0.4159016E+01 3,-1 141 3 -1 2.448609 -0.362607 2.726015 Rho 0.1255217E+00 |GRAD(Rho)| 0.7339239E-16 GRAD(Rho)x -0.4308348E-16 GRAD(Rho)y 0.2310706E-16 GRAD(Rho)z 0.5473866E-16 Laplacian 0.5093175E+00 (-1/4)Del**2(Rho)) -0.1273294E+00 Diamond 0.8538432E+00 Metallicity 0.4257512E+01 Ellipticity 0.9294005E-02 Gb(Abramov) 0.1752373E+00 Vb(Abramov) -0.2231452E+00 Hb(Abramov) -0.4790792E-01 Ex_ueg -0.4641697E-01 Ec_ueg -0.6895497E-02 Delta_ex -0.5263966E-01 Delta_ec 0.1395697E-01 Delta_et -0.1815957E+00 Pxc 0.6731489E+01 Qxc -0.3771567E+01 3,-1 142 3 -1 3.048418 0.481127 -1.652232 Rho 0.1225816E+00 |GRAD(Rho)| 0.8793015E-15 GRAD(Rho)x 0.6418159E-16 GRAD(Rho)y -0.7586976E-15 GRAD(Rho)z -0.4398066E-15 Laplacian 0.5172502E+00 (-1/4)Del**2(Rho)) -0.1293125E+00 Diamond 0.8500203E+00 Metallicity 0.4029843E+01 Ellipticity 0.1843347E-01 Gb(Abramov) 0.1730599E+00 Vb(Abramov) -0.2168073E+00 Hb(Abramov) -0.4374737E-01 Ex_ueg -0.4497304E-01 Ec_ueg -0.6712212E-02 Delta_ex -0.5325350E-01 Delta_ec 0.1442101E-01 Delta_et -0.1871294E+00 Pxc 0.6700182E+01 Qxc -0.3692773E+01 3,-1 143 3 -1 3.022821 0.405438 1.613899 Rho 0.1119630E+00 |GRAD(Rho)| 0.1447068E-13 GRAD(Rho)x -0.1058149E-13 GRAD(Rho)y -0.4899808E-14 GRAD(Rho)z -0.8568822E-14 Laplacian 0.4766867E+00 (-1/4)Del**2(Rho)) -0.1191717E+00 Diamond 0.7034039E+00 Metallicity 0.3759855E+01 Ellipticity 0.2535854E-01 Gb(Abramov) 0.1541258E+00 Vb(Abramov) -0.1890799E+00 Hb(Abramov) -0.3495414E-01 Ex_ueg -0.3985515E-01 Ec_ueg -0.6055259E-02 Delta_ex -0.4805622E-01 Delta_ec 0.1359122E-01 Delta_et -0.1734515E+00 Pxc 0.6581907E+01 Qxc -0.3535829E+01 3,-1 144 3 -1 3.183495 -0.752873 -0.927694 Rho 0.1222344E+00 |GRAD(Rho)| 0.1097940E-14 GRAD(Rho)x -0.8014151E-15 GRAD(Rho)y -0.2661378E-15 GRAD(Rho)z -0.7016956E-15 Laplacian 0.5225043E+00 (-1/4)Del**2(Rho)) -0.1306261E+00 Diamond 0.8463568E+00 Metallicity 0.3970503E+01 Ellipticity 0.2407745E-01 Gb(Abramov) 0.1735259E+00 Vb(Abramov) -0.2164257E+00 Hb(Abramov) -0.4289984E-01 Ex_ueg -0.4480324E-01 Ec_ueg -0.6690602E-02 Delta_ex -0.5363565E-01 Delta_ec 0.1435797E-01 Delta_et -0.1858617E+00 Pxc 0.6696445E+01 Qxc -0.3735601E+01 3,-1 145 3 -1 3.294642 3.226483 0.035052 Rho 0.2006374E+00 |GRAD(Rho)| 0.7970551E-15 GRAD(Rho)x -0.4768863E-15 GRAD(Rho)y -0.4039737E-15 GRAD(Rho)z 0.4946528E-15 Laplacian 0.7554624E+00 (-1/4)Del**2(Rho)) -0.1888656E+00 Diamond 0.2165135E+01 Metallicity 0.6272204E+01 Ellipticity 0.1191813E-02 Gb(Abramov) 0.3233443E+00 Vb(Abramov) -0.4578231E+00 Hb(Abramov) -0.1344787E+00 Ex_ueg -0.8674963E-01 Ec_ueg -0.1176068E-01 Delta_ex -0.8722090E-01 Delta_ec 0.1769792E-01 Delta_et -0.2431368E+00 Pxc 0.7376241E+01 Qxc -0.4928313E+01 3,-1 146 3 -1 3.954656 -0.627131 -2.316340 Rho 0.1970547E+00 |GRAD(Rho)| 0.1269038E-14 GRAD(Rho)x 0.2538117E-15 GRAD(Rho)y 0.1751258E-15 GRAD(Rho)z -0.1231003E-14 Laplacian 0.7353533E+00 (-1/4)Del**2(Rho)) -0.1838383E+00 Diamond 0.2067607E+01 Metallicity 0.6253097E+01 Ellipticity 0.5978157E-02 Gb(Abramov) 0.3141520E+00 Vb(Abramov) -0.4444658E+00 Hb(Abramov) -0.1303137E+00 Ex_ueg -0.8469040E-01 Ec_ueg -0.1152116E-01 Delta_ex -0.8454629E-01 Delta_ec 0.1737663E-01 Delta_et -0.2385862E+00 Pxc 0.7350857E+01 Qxc -0.4865517E+01 3,-1 147 3 -1 3.925912 -0.718713 2.267819 Rho 0.1969227E+00 |GRAD(Rho)| 0.3724191E-08 GRAD(Rho)x 0.3414806E-08 GRAD(Rho)y -0.3362723E-09 GRAD(Rho)z 0.1447625E-08 Laplacian 0.7368074E+00 (-1/4)Del**2(Rho)) -0.1842018E+00 Diamond 0.2069728E+01 Metallicity 0.6233792E+01 Ellipticity 0.2167015E-02 Gb(Abramov) 0.3141805E+00 Vb(Abramov) -0.4441593E+00 Hb(Abramov) -0.1299787E+00 Ex_ueg -0.8461477E-01 Ec_ueg -0.1151235E-01 Delta_ex -0.8469694E-01 Delta_ec 0.1741045E-01 Delta_et -0.2390242E+00 Pxc 0.7349914E+01 Qxc -0.4864719E+01 3,-1 148 3 -1 -1.271514 -3.064986 0.223845 Rho 0.5320268E-01 |GRAD(Rho)| 0.4151337E-16 GRAD(Rho)x -0.2752263E-16 GRAD(Rho)y -0.2425293E-16 GRAD(Rho)z -0.1943349E-16 Laplacian 0.1335538E+00 (-1/4)Del**2(Rho)) -0.3338844E-01 Diamond 0.1167086E+00 Metallicity 0.3883108E+01 Ellipticity 0.3713208E-02 Gb(Abramov) 0.4386745E-01 Vb(Abramov) -0.5434646E-01 Hb(Abramov) -0.1047901E-01 Ex_ueg -0.1477848E-01 Ec_ueg -0.2592656E-02 Delta_ex -0.1287455E-01 Delta_ec 0.7026663E-02 Delta_et -0.7633489E-01 Pxc 0.5700131E+01 Qxc -0.1832243E+01 3,-1 149 3 -1 -0.009728 0.782341 -0.010425 Rho 0.1615122E+00 |GRAD(Rho)| 0.8601831E-16 GRAD(Rho)x 0.3209238E-16 GRAD(Rho)y 0.7979728E-16 GRAD(Rho)z 0.1273938E-17 Laplacian 0.3894574E+00 (-1/4)Del**2(Rho)) -0.9736435E-01 Diamond 0.8800684E+00 Metallicity 0.8475440E+01 Ellipticity 0.3274471E-02 Gb(Abramov) 0.2024438E+00 Vb(Abramov) -0.3075233E+00 Hb(Abramov) -0.1050795E+00 Ex_ueg -0.6496194E-01 Ec_ueg -0.9184490E-02 Delta_ex -0.4275329E-01 Delta_ec 0.9982168E-02 Delta_et -0.1349167E+00 Pxc 0.7073004E+01 Qxc -0.4282967E+01 3,-1 150 3 -1 0.821285 -3.244133 -0.889677 Rho 0.1358135E+00 |GRAD(Rho)| 0.1183470E-15 GRAD(Rho)x 0.4906015E-17 GRAD(Rho)y 0.1066889E-15 GRAD(Rho)z 0.5098461E-16 Laplacian 0.5628305E+00 (-1/4)Del**2(Rho)) -0.1407076E+00 Diamond 0.1005996E+01 Metallicity 0.4393466E+01 Ellipticity 0.1771630E-01 Gb(Abramov) 0.1968374E+00 Vb(Abramov) -0.2529673E+00 Hb(Abramov) -0.5612982E-01 Ex_ueg -0.5155955E-01 Ec_ueg -0.7541657E-02 Delta_ex -0.5892270E-01 Delta_ec 0.1450484E-01 Delta_et -0.1900270E+00 Pxc 0.6836634E+01 Qxc -0.4062279E+01 3,-1 151 3 -1 0.752067 -3.230264 0.885909 Rho 0.1285253E+00 |GRAD(Rho)| 0.1913465E-12 GRAD(Rho)x 0.1817447E-12 GRAD(Rho)y -0.1626893E-13 GRAD(Rho)z -0.5759911E-13 Laplacian 0.5216537E+00 (-1/4)Del**2(Rho)) -0.1304134E+00 Diamond 0.8807002E+00 Metallicity 0.4323931E+01 Ellipticity 0.1337945E-01 Gb(Abramov) 0.1809254E+00 Vb(Abramov) -0.2314374E+00 Hb(Abramov) -0.5051197E-01 Ex_ueg -0.4790381E-01 Ec_ueg -0.7083352E-02 Delta_ex -0.5398660E-01 Delta_ec 0.1380025E-01 Delta_et -0.1795547E+00 Pxc 0.6762873E+01 Qxc -0.3912002E+01 3,-1 152 3 -1 2.716128 -1.565456 -2.036601 Rho 0.9960742E-01 |GRAD(Rho)| 0.1153079E-15 GRAD(Rho)x -0.5627009E-16 GRAD(Rho)y -0.9886569E-16 GRAD(Rho)z -0.1884564E-16 Laplacian 0.4167501E+00 (-1/4)Del**2(Rho)) -0.1041875E+00 Diamond 0.5370426E+00 Metallicity 0.3539079E+01 Ellipticity 0.3351670E-02 Gb(Abramov) 0.1309130E+00 Vb(Abramov) -0.1576385E+00 Hb(Abramov) -0.2672547E-01 Ex_ueg -0.3410154E-01 Ec_ueg -0.5301277E-02 Delta_ex -0.4094033E-01 Delta_ec 0.1228117E-01 Delta_et -0.1532270E+00 Pxc 0.6432703E+01 Qxc -0.3333584E+01 3,-1 153 3 -1 2.670943 -1.615661 2.004212 Rho 0.1242406E+00 |GRAD(Rho)| 0.1503788E-15 GRAD(Rho)x 0.9879792E-16 GRAD(Rho)y -0.9202166E-16 GRAD(Rho)z -0.6621765E-16 Laplacian 0.5081887E+00 (-1/4)Del**2(Rho)) -0.1270472E+00 Diamond 0.8459767E+00 Metallicity 0.4194634E+01 Ellipticity 0.1649337E-01 Gb(Abramov) 0.1735175E+00 Vb(Abramov) -0.2199879E+00 Hb(Abramov) -0.4647034E-01 Ex_ueg -0.4578639E-01 Ec_ueg -0.6815561E-02 Delta_ex -0.5245215E-01 Delta_ec 0.1406144E-01 Delta_et -0.1827983E+00 Pxc 0.6717920E+01 Qxc -0.3730211E+01 3,-1 154 3 -1 2.811633 1.946871 -0.728404 Rho 0.1391810E+00 |GRAD(Rho)| 0.9216020E-12 GRAD(Rho)x 0.2904504E-12 GRAD(Rho)y -0.4086667E-12 GRAD(Rho)z -0.7732918E-12 Laplacian 0.5852458E+00 (-1/4)Del**2(Rho)) -0.1463115E+00 Diamond 0.1107238E+01 Metallicity 0.4401235E+01 Ellipticity 0.1410344E-01 Gb(Abramov) 0.2048662E+00 Vb(Abramov) -0.2634209E+00 Hb(Abramov) -0.5855471E-01 Ex_ueg -0.5327108E-01 Ec_ueg -0.7754579E-02 Delta_ex -0.6196526E-01 Delta_ec 0.1558126E-01 Delta_et -0.2061146E+00 Pxc 0.6869629E+01 Qxc -0.3976909E+01 3,-1 155 3 -1 2.796742 1.918439 0.741057 Rho 0.1477691E+00 |GRAD(Rho)| 0.7165423E-12 GRAD(Rho)x 0.7986371E-13 GRAD(Rho)y 0.5469355E-12 GRAD(Rho)z -0.4559784E-12 Laplacian 0.6167430E+00 (-1/4)Del**2(Rho)) -0.1541858E+00 Diamond 0.1248324E+01 Metallicity 0.4614751E+01 Ellipticity 0.1452965E-01 Gb(Abramov) 0.2213786E+00 Vb(Abramov) -0.2885715E+00 Hb(Abramov) -0.6719289E-01 Ex_ueg -0.5769832E-01 Ec_ueg -0.8300857E-02 Delta_ex -0.6620036E-01 Delta_ec 0.1608358E-01 Delta_et -0.2145054E+00 Pxc 0.6950888E+01 Qxc -0.4116023E+01 3,-1 156 3 -1 3.172077 -0.799926 0.870470 Rho 0.1333239E+00 |GRAD(Rho)| 0.3605189E-15 GRAD(Rho)x 0.6427286E-17 GRAD(Rho)y 0.9171673E-16 GRAD(Rho)z 0.3485981E-15 Laplacian 0.5629644E+00 (-1/4)Del**2(Rho)) -0.1407411E+00 Diamond 0.1011535E+01 Metallicity 0.4259044E+01 Ellipticity 0.1850607E-01 Gb(Abramov) 0.1937312E+00 Vb(Abramov) -0.2467212E+00 Hb(Abramov) -0.5299005E-01 Ex_ueg -0.5030320E-01 Ec_ueg -0.7384708E-02 Delta_ex -0.5899230E-01 Delta_ec 0.1514403E-01 Delta_et -0.1989475E+00 Pxc 0.6811807E+01 Qxc -0.3895416E+01 3,-1 157 3 -1 -1.283808 -3.077674 -0.537901 Rho 0.3035915E+00 |GRAD(Rho)| 0.4299868E-14 GRAD(Rho)x -0.6030984E-15 GRAD(Rho)y 0.4178179E-14 GRAD(Rho)z -0.8172890E-15 Laplacian -0.1459304E+01 (-1/4)Del**2(Rho)) 0.3648260E+00 Diamond 0.4964676E+01 Metallicity -0.6475650E+01 Ellipticity 0.7173520E-02 Gb(Abramov) 0.1505302E+00 Vb(Abramov) -0.6658865E+00 Hb(Abramov) -0.5153563E+00 Ex_ueg -0.1506970E+00 Ec_ueg -0.1894587E-01 Delta_ex 0.1416541E+00 Delta_ec 0.5215211E-01 Delta_et -0.1207122E+01 Pxc 0.7954080E+01 Qxc 0.2716172E+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 68 118 150 109 132 114 112 99 105 75 90 79 107 80 128 156 143 153 141 147 100 124 73 129 95 145 121 154 155 136 138 111 104 78 116 98 130 92 85 151 108 131 113 127 142 144 140 152 146 82 91 74 84 106 83 102 59 60 77 56 55 149 103 148 53 48 61 63 157 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 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 28 46 45 47 2.446262 1.954382 1.981139 1.891205 1.897403 1.770070 1.832075 2.409043 1.966683 1.938772 1.939127 1.892007 1.763160 2.576913 1.959775 2.026754 1.993978 1.992517 1.819166 2.417999 2.092208 1.828387 2.136846 2.087302 1.811968 2.480331 1.942565 1.920231 2.096865 2.086162 1.779500 2.382347 1.787518 1.985674 1.994972 2.009547 2.418702 1.822267 1.977728 1.958201 1.984256 1.776014 2.609484 1.990767 1.993846 1.926620 2.076704 1.819024 2.394809 1.871862 1.967220 1.764948 1.891683 2.027885 1.726240 3.182148 3.261636 1.686576 1.750597 1.758748 1.762365 1.732721 1.641591 2.977041 3.112040 1.003720 1.004472 1.013324 2.447986 1.955004 1.981939 1.891615 1.897864 1.770073 1.832085 2.410608 1.967976 1.939315 1.939638 1.892422 1.763172 2.578992 1.959979 2.026892 1.994226 1.992771 1.819172 2.420122 2.092325 1.828415 2.137139 2.087530 1.811975 2.482373 1.942768 1.920449 2.097120 2.086412 1.779517 2.384135 1.787681 1.985973 1.995430 2.009985 2.420212 1.822506 1.978076 1.958704 1.984721 1.776031 2.611767 1.990933 1.994052 1.926890 2.076925 1.819032 2.396517 1.872213 1.968452 1.764960 1.892094 2.028333 1.726291 3.202116 3.283773 1.686654 1.755463 1.764372 1.762382 1.732770 1.642504 2.988373 3.128825 1.003789 1.004537 1.013390 27 25 25 27 24 23 24 27 27 25 25 25 25 29 24 25 24 25 25 27 25 26 27 25 24 29 24 25 27 26 23 27 24 25 24 26 27 24 24 25 25 23 29 25 25 26 25 24 27 24 28 24 25 25 22 35 35 23 26 24 23 24 22 34 35 19 20 17 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 W O W Ta Ta Ta W O O 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 As O O O O O O O O H H H 2.3590 -1.0176 2.3866 2.1334 2.0097 2.1696 2.2974 -0.9873 -0.9106 2.3070 2.1155 2.3874 -1.0768 -0.9389 -1.1015 -1.0878 -0.9280 -0.9766 -0.8681 -1.0354 -0.8370 -1.0307 -0.8329 -0.9899 -0.9834 -0.8618 -1.0273 -0.9787 -1.0568 -0.8812 -1.0101 -1.0173 -1.0072 -0.9974 -1.0414 2.2791 -0.9060 -1.0494 -1.0115 -1.0076 -0.8934 -1.0059 -0.8754 -1.0060 0.2664 0.2626 0.2635 2.1324 1.9284 2.1216 2.1278 2.1533 2.1197 2.1404 1.9341 1.9442 2.1380 2.1351 2.1248 1.9379 1.9496 1.9294 1.9360 1.9427 1.9282 1.9477 1.9205 1.8676 1.9197 1.8673 1.9250 1.9245 1.8708 1.9213 1.9314 1.9253 1.9507 1.9344 1.9308 1.9321 1.9311 1.9279 0.8962 1.9452 1.9275 1.9327 1.9341 1.9474 1.9321 1.9509 1.9318 0.5769 0.5823 0.5654 6.1144 5.0670 6.1072 6.0935 6.1106 6.0837 6.1229 5.0291 4.9374 6.1247 6.0989 6.1069 5.1059 4.9551 5.1398 5.1177 4.9560 5.0216 4.8911 5.0902 4.9407 5.0876 4.9370 5.0368 5.0318 4.9619 5.0814 5.0240 5.1090 4.8996 5.0479 5.0575 5.0467 5.0376 5.0880 1.2782 4.9314 5.0979 5.0514 5.0453 4.9157 5.0504 4.8933 5.0509 0.1567 0.1551 0.1711 3.3648 0.0222 3.3552 2.6107 2.6931 2.5925 3.4098 0.0241 0.0290 3.4008 2.6161 3.3515 0.0329 0.0342 0.0324 0.0342 0.0293 0.0268 0.0293 0.0247 0.0286 0.0234 0.0285 0.0280 0.0271 0.0291 0.0247 0.0233 0.0226 0.0308 0.0278 0.0290 0.0283 0.0287 0.0255 10.5466 0.0294 0.0240 0.0275 0.0282 0.0302 0.0234 0.0311 0.0234 0.0000 0.0000 0.0000 14.0294 0.0000 14.0294 14.0347 14.0333 14.0346 14.0294 0.0000 0.0000 14.0296 14.0345 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 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 W O W Ta Ta Ta W O O 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 As O O O O O O O O H H H 2.490874 -1.143154 2.495059 2.346858 2.318958 2.350450 2.472389 -1.089312 -0.984248 2.476380 2.340907 2.490292 -1.088170 -0.878169 -1.098723 -1.086438 -0.901483 -1.018125 -0.940943 -1.077853 -0.691347 -1.085876 -0.686822 -1.009707 -1.014612 -0.721809 -1.074399 -1.076044 -1.110148 -0.937931 -1.027578 -1.029891 -1.033903 -1.020209 -1.069141 2.292642 -0.978108 -1.079448 -1.030032 -1.025996 -0.961419 -1.116231 -0.931464 -1.117028 0.026324 0.024611 0.010018 1.950284 -1.103940 1.947467 1.815040 1.848916 1.833477 1.927252 -1.047315 -0.921447 1.922450 1.822929 1.948929 -0.691418 -0.721069 -0.701543 -0.688179 -0.842808 -0.779222 -0.860416 -0.845821 -0.868100 -0.822030 -0.866151 -0.749540 -0.751448 -0.894471 -0.847586 -1.021062 -0.958909 -0.848643 -0.872465 -0.858238 -0.871231 -0.842878 -0.902682 1.739589 -0.913027 -0.912362 -0.857725 -0.871550 -0.885491 -1.082026 -0.842221 -1.087045 0.305894 0.298285 0.269547 2.077121 -1.085516 2.038186 1.949915 1.957452 1.951550 2.037327 -1.011945 -0.890281 2.042362 1.952554 2.039763 -0.790020 -0.726467 -0.799555 -0.772456 -0.874959 -0.865444 -0.876365 -0.934363 -0.887058 -0.930277 -0.884559 -0.855599 -0.847190 -0.882863 -0.932707 -1.045988 -1.004736 -0.823416 -0.908980 -0.911878 -0.905538 -0.874800 -0.946111 1.697991 -0.883679 -0.963871 -0.907199 -0.908201 -0.867093 -1.050047 -0.816758 -1.052483 0.345563 0.346181 0.282438 -40.74437627 -1.64067592 7.71117730 41.50009964 72.05220300 18.81201818 -7.67075617 0.63183456 1.53708401 -72.68403756 -304.2301 362.7425 36.7872 -383.9707 -124.1417 -412.8128 Jun19-2024 21:48:45 Nodes: 1 Procs: 1 Jun19-2024 21:48:48 Nodes: 1 Procs: 1 0 Jun19-2024 21:48:50 Nodes: 1 Procs: 1 Jun19-2024 21:48:52 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 21:48:55 Nodes: 1 Procs: 1 Jun19-2024 21:48:58 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 21:49:02 Nodes: 1 Procs: 1 Jun19-2024 21:49:03 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 21:49:06 Nodes: 1 Procs: 1 Jun19-2024 21:49:08 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 21:49:13 Nodes: 1 Procs: 5 *** (NO TITLE) *** -10 -14.91905911 -15.12261330 -15.14789658 -15.15845640 -15.16080288 -15.16570188 -15.16783334 -15.16838227 -15.16938764 -15.16969649 -15.17012119 -15.17029927 -15.17043759 -15.17050898 -15.17054762 -15.17058175 -15.17059087 GEOMETRY CONVERGED