ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 04:42:31 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.77 0.05 1.91 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 Jun21-2024 04:42:31 Nodes: 1 Procs: 1 Jun21-2024 04:42:34 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 04:42:36 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.07 2.52 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 Jun21-2024 04:42:31 Nodes: 1 Procs: 1 Jun21-2024 04:42:34 Nodes: 1 Procs: 1 0 Jun21-2024 04:42:36 Nodes: 1 Procs: 1 Jun21-2024 04:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 04:42:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.70 0.08 3.78 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 Jun21-2024 04:42:31 Nodes: 1 Procs: 1 Jun21-2024 04:42:34 Nodes: 1 Procs: 1 0 Jun21-2024 04:42:36 Nodes: 1 Procs: 1 Jun21-2024 04:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 04:42:42 Nodes: 1 Procs: 1 Jun21-2024 04:42:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 04:42:51 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.09 3.44 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 Jun21-2024 04:42:31 Nodes: 1 Procs: 1 Jun21-2024 04:42:34 Nodes: 1 Procs: 1 0 Jun21-2024 04:42:36 Nodes: 1 Procs: 1 Jun21-2024 04:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 04:42:42 Nodes: 1 Procs: 1 Jun21-2024 04:42:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 04:42:51 Nodes: 1 Procs: 1 Jun21-2024 04:42:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 04:42:59 Hydrogen (TZP) c5-41 c5-41 c5-41 c5-41 c5-41 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.06 1.97 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 Jun21-2024 04:42:31 Nodes: 1 Procs: 1 Jun21-2024 04:42:34 Nodes: 1 Procs: 1 0 Jun21-2024 04:42:36 Nodes: 1 Procs: 1 Jun21-2024 04:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 04:42:42 Nodes: 1 Procs: 1 Jun21-2024 04:42:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 04:42:51 Nodes: 1 Procs: 1 Jun21-2024 04:42:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 04:42:59 Nodes: 1 Procs: 1 Jun21-2024 04:43:09 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 04:43:14 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2253.216499999999 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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 Jun21-2024 04:42:45 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun21-2024 04:43:09 1 1 Oxygen TZP 1s t21.W ADF 2019.304 Jun21-2024 04:42:54 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun21-2024 04:42:39 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun21-2024 04:42:34 1 1 Hydrogen TZP 1 1 -15.13492717 0.74979830 0.00100000 F 0.12004390 0.00066667 F 0.74979830 0.12004390 0.27302231 0.01000000 F 0.07513719 0.00666667 F Cartesian 2253.216499999999 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0.3190673E+03 3,-3 35 3 -3 2.040745 -0.133890 3.520046 Rho 0.3188666E+03 3,-3 36 3 -3 0.065155 -2.192475 -3.577820 Rho 0.3188094E+03 3,-3 37 3 -3 1.398752 3.642453 1.390160 Rho 0.3188312E+03 3,-3 38 3 -3 0.827412 -4.832953 -2.569423 Rho 0.3189913E+03 3,-3 39 3 -3 4.750513 -0.662819 -2.606056 Rho 0.3189740E+03 3,-3 40 3 -3 -0.989325 4.563650 2.843470 Rho 0.3190072E+03 3,-3 41 3 -3 4.746503 -0.809413 2.570996 Rho 0.3189756E+03 3,-3 42 3 -3 0.506989 -3.147456 1.910318 Rho 0.4361415E+07 3,-3 43 3 -3 -0.438239 3.205543 -1.750497 Rho 0.4361415E+07 3,-3 44 3 -3 -0.226352 -0.016788 -0.004367 Rho 0.4276098E+05 3,-3 45 3 -3 -2.225270 1.443040 1.064153 Rho 0.4441066E+00 3,-3 46 3 -3 -2.159252 1.401905 -1.245332 Rho 0.4427179E+00 3,-3 47 3 -3 -1.337498 -3.130424 -0.315939 Rho 0.4411344E+00 3,-3 48 3 -1 -2.092747 0.974234 0.692308 Rho 0.3668283E-01 |GRAD(Rho)| 0.7391807E-16 GRAD(Rho)x -0.1484696E-16 GRAD(Rho)y 0.2824883E-16 GRAD(Rho)z 0.6667423E-16 Laplacian 0.1055188E+00 (-1/4)Del**2(Rho)) -0.2637970E-01 Diamond 0.5096628E-01 Metallicity 0.2644771E+01 Ellipticity 0.4578271E-02 Gb(Abramov) 0.2921451E-01 Vb(Abramov) -0.3204932E-01 Hb(Abramov) -0.2834812E-02 Ex_ueg -0.9001928E-02 Ec_ueg -0.1693194E-02 Delta_ex -0.9074005E-02 Delta_ec 0.4994968E-02 Delta_et -0.4859952E-01 Pxc 0.5316536E+01 Qxc -0.1816629E+01 3,-1 49 3 -1 -2.050981 0.993132 2.470252 Rho 0.6228144E-02 |GRAD(Rho)| 0.6292983E-17 GRAD(Rho)x -0.4316804E-18 GRAD(Rho)y 0.5579400E-17 GRAD(Rho)z -0.2878468E-17 Laplacian 0.2134065E-01 (-1/4)Del**2(Rho)) -0.5335161E-02 Diamond 0.7452255E-03 Metallicity 0.6807747E+00 Ellipticity 0.2564016E+00 Gb(Abramov) 0.4162115E-02 Vb(Abramov) -0.2989068E-02 Hb(Abramov) 0.1173047E-02 Ex_ueg -0.8463110E-03 Ec_ueg -0.2001418E-03 Delta_ex -0.1160730E-02 Delta_ec 0.7666050E-03 Delta_et -0.4409440E-02 Pxc 0.4228557E+01 Qxc -0.1514118E+01 3,-1 50 3 +1 -1.718450 1.128553 2.561784 Rho 0.5966240E-02 |GRAD(Rho)| 0.5240046E-16 GRAD(Rho)x 0.4870379E-16 GRAD(Rho)y 0.8488677E-17 GRAD(Rho)z 0.1736927E-16 Laplacian 0.2236129E-01 (-1/4)Del**2(Rho)) -0.5590323E-02 Diamond 0.4810555E-03 Metallicity 0.6048080E+00 Ellipticity -0.1749182E+01 Gb(Abramov) 0.4290394E-02 Vb(Abramov) -0.2990465E-02 Hb(Abramov) 0.1299929E-02 Ex_ueg -0.7991949E-03 Ec_ueg -0.1887281E-03 Delta_ex -0.1018574E-02 Delta_ec 0.4679628E-03 Delta_et -0.2772892E-02 Pxc 0.4234636E+01 Qxc -0.2176613E+01 3,+1 51 3 +3 1.302918 -1.410527 -2.739714 Rho 0.1070258E-01 |GRAD(Rho)| 0.2534729E-15 GRAD(Rho)x -0.1741357E-15 GRAD(Rho)y 0.1459211E-15 GRAD(Rho)z -0.1123935E-15 Laplacian 0.4174574E-01 (-1/4)Del**2(Rho)) -0.1043644E-01 Diamond 0.7252783E-03 Metallicity 0.8579896E+00 Ellipticity -0.7274024E+00 Gb(Abramov) 0.8450016E-02 Vb(Abramov) -0.6463596E-02 Hb(Abramov) 0.1986420E-02 Ex_ueg -0.1741953E-02 Ec_ueg -0.4000119E-03 Delta_ex -0.1754030E-02 Delta_ec 0.1183209E-03 Delta_et -0.1206633E-02 Pxc 0.4354754E+01 Qxc -0.1482434E+02 3,+3 52 3 +1 -2.210081 1.894234 -0.047386 Rho 0.8116469E-02 |GRAD(Rho)| 0.1408074E-15 GRAD(Rho)x 0.2727413E-16 GRAD(Rho)y -0.1380871E-15 GRAD(Rho)z 0.3846861E-17 Laplacian 0.3188277E-01 (-1/4)Del**2(Rho)) -0.7970692E-02 Diamond 0.1215285E-02 Metallicity 0.7084932E+00 Ellipticity -0.2760269E+01 Gb(Abramov) 0.6254991E-02 Vb(Abramov) -0.4539291E-02 Hb(Abramov) 0.1715700E-02 Ex_ueg -0.1204688E-02 Ec_ueg -0.2833978E-03 Delta_ex -0.1643108E-02 Delta_ec 0.8194800E-03 Delta_et -0.5211788E-02 Pxc 0.4250873E+01 Qxc -0.2005062E+01 3,+1 53 3 -1 -2.252046 2.212327 -0.034461 Rho 0.8283197E-02 |GRAD(Rho)| 0.1137353E-15 GRAD(Rho)x 0.2614000E-16 GRAD(Rho)y -0.1045195E-15 GRAD(Rho)z 0.3644308E-16 Laplacian 0.3107169E-01 (-1/4)Del**2(Rho)) -0.7767921E-02 Diamond 0.1519928E-02 Metallicity 0.7520470E+00 Ellipticity 0.1238552E+01 Gb(Abramov) 0.6152255E-02 Vb(Abramov) -0.4536588E-02 Hb(Abramov) 0.1615667E-02 Ex_ueg -0.1237796E-02 Ec_ueg -0.2908278E-03 Delta_ex -0.1751815E-02 Delta_ec 0.1054517E-02 Delta_et -0.6631113E-02 Pxc 0.4256112E+01 Qxc -0.1661249E+01 3,-1 54 3 -1 -1.845289 0.068969 -1.715863 Rho 0.5893521E-02 |GRAD(Rho)| 0.1642607E-16 GRAD(Rho)x -0.1241987E-17 GRAD(Rho)y 0.1689404E-17 GRAD(Rho)z 0.1629169E-16 Laplacian 0.1936440E-01 (-1/4)Del**2(Rho)) -0.4841100E-02 Diamond 0.5475790E-03 Metallicity 0.6842799E+00 Ellipticity 0.1060845E+01 Gb(Abramov) 0.3779512E-02 Vb(Abramov) -0.2717923E-02 Hb(Abramov) 0.1061589E-02 Ex_ueg -0.7862334E-03 Ec_ueg -0.1855650E-03 Delta_ex -0.9824426E-03 Delta_ec 0.5887777E-03 Delta_et -0.3367424E-02 Pxc 0.4236970E+01 Qxc -0.1668614E+01 3,-1 55 3 -1 -1.722324 -0.052655 1.722205 Rho 0.4508364E-02 |GRAD(Rho)| 0.4112869E-17 GRAD(Rho)x -0.3244341E-18 GRAD(Rho)y -0.6923913E-18 GRAD(Rho)z 0.4041167E-17 Laplacian 0.1490256E-01 (-1/4)Del**2(Rho)) -0.3725641E-02 Diamond 0.3099038E-03 Metallicity 0.5689191E+00 Ellipticity 0.1408441E+01 Gb(Abramov) 0.2837025E-02 Vb(Abramov) -0.1948410E-02 Hb(Abramov) 0.8886156E-03 Ex_ueg -0.5500604E-03 Ec_ueg -0.1258174E-03 Delta_ex -0.7344034E-03 Delta_ec 0.4835483E-03 Delta_et -0.2539786E-02 Pxc 0.4371893E+01 Qxc -0.1518780E+01 3,-1 56 3 +1 -1.899078 0.258181 -1.745448 Rho 0.5859854E-02 |GRAD(Rho)| 0.5412312E-15 GRAD(Rho)x -0.7185554E-16 GRAD(Rho)y 0.4730449E-15 GRAD(Rho)z 0.2529753E-15 Laplacian 0.1916709E-01 (-1/4)Del**2(Rho)) -0.4791773E-02 Diamond 0.4307429E-03 Metallicity 0.6847546E+00 Ellipticity -0.2843101E+01 Gb(Abramov) 0.3741380E-02 Vb(Abramov) -0.2690987E-02 Hb(Abramov) 0.1050393E-02 Ex_ueg -0.7802506E-03 Ec_ueg -0.1841014E-03 Delta_ex -0.8908393E-03 Delta_ec 0.4390901E-03 Delta_et -0.2565936E-02 Pxc 0.4238156E+01 Qxc -0.2028831E+01 3,+1 57 3 +1 -1.921339 2.644224 -0.020210 Rho 0.7358320E-02 |GRAD(Rho)| 0.2339805E-15 GRAD(Rho)x 0.1453754E-15 GRAD(Rho)y 0.6998210E-16 GRAD(Rho)z 0.1694560E-15 Laplacian 0.2965786E-01 (-1/4)Del**2(Rho)) -0.7414465E-02 Diamond 0.7358341E-03 Metallicity 0.6468016E+00 Ellipticity -0.1485804E+01 Gb(Abramov) 0.5742258E-02 Vb(Abramov) -0.4070051E-02 Hb(Abramov) 0.1672207E-02 Ex_ueg -0.1057036E-02 Ec_ueg -0.2497712E-03 Delta_ex -0.1354932E-02 Delta_ec 0.5103840E-03 Delta_et -0.3271812E-02 Pxc 0.4232019E+01 Qxc -0.2654731E+01 3,+1 58 3 +1 -1.900902 0.338701 1.793483 Rho 0.4305258E-02 |GRAD(Rho)| 0.5914538E-13 GRAD(Rho)x -0.8407131E-14 GRAD(Rho)y 0.1358914E-13 GRAD(Rho)z -0.5694586E-13 Laplacian 0.1422179E-01 (-1/4)Del**2(Rho)) -0.3555447E-02 Diamond 0.2004618E-03 Metallicity 0.5520659E+00 Ellipticity -0.1839945E+01 Gb(Abramov) 0.2697438E-02 Vb(Abramov) -0.1839430E-02 Hb(Abramov) 0.8580089E-03 Ex_ueg -0.5172700E-03 Ec_ueg -0.1171388E-03 Delta_ex -0.6069495E-03 Delta_ec 0.3045475E-03 Delta_et -0.1639903E-02 Pxc 0.4415871E+01 Qxc -0.1992955E+01 3,+1 59 3 -1 -2.060452 0.969753 -2.378301 Rho 0.8515263E-02 |GRAD(Rho)| 0.7176465E-17 GRAD(Rho)x 0.7263424E-18 GRAD(Rho)y -0.7133733E-17 GRAD(Rho)z -0.2897152E-18 Laplacian 0.3049306E-01 (-1/4)Del**2(Rho)) -0.7623265E-02 Diamond 0.1613676E-02 Metallicity 0.8024333E+00 Ellipticity 0.3973525E+00 Gb(Abramov) 0.6101703E-02 Vb(Abramov) -0.4580142E-02 Hb(Abramov) 0.1521561E-02 Ex_ueg -0.1284249E-02 Ec_ueg -0.3011904E-03 Delta_ex -0.1758729E-02 Delta_ec 0.1088214E-02 Delta_et -0.6881856E-02 Pxc 0.4263911E+01 Qxc -0.1616162E+01 3,-1 60 3 +3 -1.511224 2.025958 -0.022784 Rho 0.6004553E-02 |GRAD(Rho)| 0.4647915E-11 GRAD(Rho)x 0.4590198E-11 GRAD(Rho)y -0.7254259E-12 GRAD(Rho)z 0.8336748E-13 Laplacian 0.2479700E-01 (-1/4)Del**2(Rho)) -0.6199250E-02 Diamond 0.2660355E-03 Metallicity 0.5512499E+00 Ellipticity -0.6717980E+00 Gb(Abramov) 0.4702389E-02 Vb(Abramov) -0.3205529E-02 Hb(Abramov) 0.1496861E-02 Ex_ueg -0.8060451E-03 Ec_ueg -0.1903957E-03 Delta_ex -0.9332412E-03 Delta_ec 0.1656012E-03 Delta_et -0.1192708E-02 Pxc 0.4233525E+01 Qxc -0.5635473E+01 3,+3 61 3 -1 -2.047321 0.951611 -0.814311 Rho 0.3390634E-01 |GRAD(Rho)| 0.6645598E-14 GRAD(Rho)x -0.5990808E-14 GRAD(Rho)y 0.2507820E-14 GRAD(Rho)z 0.1408908E-14 Laplacian 0.1001647E+00 (-1/4)Del**2(Rho)) -0.2504117E-01 Diamond 0.4241599E-01 Metallicity 0.2443618E+01 Ellipticity 0.8613015E-02 Gb(Abramov) 0.2689263E-01 Vb(Abramov) -0.2874408E-01 Hb(Abramov) -0.1851455E-02 Ex_ueg -0.8105124E-02 Ec_ueg -0.1546806E-02 Delta_ex -0.8389350E-02 Delta_ec 0.4603101E-02 Delta_et -0.4375506E-01 Pxc 0.5239911E+01 Qxc -0.1822543E+01 3,-1 62 3 +3 -1.229871 0.624894 1.817813 Rho 0.3662584E-02 |GRAD(Rho)| 0.4736196E-17 GRAD(Rho)x -0.2778678E-17 GRAD(Rho)y 0.3411504E-17 GRAD(Rho)z -0.1752752E-17 Laplacian 0.1292673E-01 (-1/4)Del**2(Rho)) -0.3231682E-02 Diamond 0.7121395E-04 Metallicity 0.4639137E+00 Ellipticity -0.4650925E+00 Gb(Abramov) 0.2404325E-02 Vb(Abramov) -0.1576968E-02 Hb(Abramov) 0.8273572E-03 Ex_ueg -0.4169672E-03 Ec_ueg -0.8982032E-04 Delta_ex -0.4271749E-03 Delta_ec 0.8758255E-04 Delta_et -0.5651812E-03 Pxc 0.4642237E+01 Qxc -0.4877398E+01 3,+3 63 3 -1 -2.176184 1.611603 -1.322532 Rho 0.3174765E+00 |GRAD(Rho)| 0.4571727E-15 GRAD(Rho)x 0.3515183E-15 GRAD(Rho)y -0.2906208E-15 GRAD(Rho)z -0.3132645E-16 Laplacian -0.1589990E+01 (-1/4)Del**2(Rho)) 0.3974975E+00 Diamond 0.5559811E+01 Metallicity -0.6403315E+01 Ellipticity 0.4521396E-02 Gb(Abramov) 0.1592186E+00 Vb(Abramov) -0.7159347E+00 Hb(Abramov) -0.5567161E+00 Ex_ueg -0.1599560E+00 Ec_ueg -0.1995961E-01 Delta_ex 0.1576403E+00 Delta_ec 0.5583768E-01 Delta_et -0.1319846E+01 Pxc 0.8013987E+01 Qxc 0.2823188E+01 3,-1 64 3 +1 -1.592741 1.174984 -2.535509 Rho 0.7385782E-02 |GRAD(Rho)| 0.9693734E-17 GRAD(Rho)x 0.7266391E-17 GRAD(Rho)y 0.6035033E-17 GRAD(Rho)z 0.2178630E-17 Laplacian 0.2985643E-01 (-1/4)Del**2(Rho)) -0.7464108E-02 Diamond 0.7046872E-03 Metallicity 0.6465013E+00 Ellipticity -0.1420117E+01 Gb(Abramov) 0.5780331E-02 Vb(Abramov) -0.4096554E-02 Hb(Abramov) 0.1683777E-02 Ex_ueg -0.1062300E-02 Ec_ueg -0.2509846E-03 Delta_ex -0.1343241E-02 Delta_ec 0.4745531E-03 Delta_et -0.3072374E-02 Pxc 0.4232529E+01 Qxc -0.2830539E+01 3,+1 65 3 +1 -1.146024 1.464856 -0.728201 Rho 0.1050478E-01 |GRAD(Rho)| 0.6299466E-13 GRAD(Rho)x 0.1660714E-13 GRAD(Rho)y -0.3512186E-13 GRAD(Rho)z -0.4958815E-13 Laplacian 0.4132456E-01 (-1/4)Del**2(Rho)) -0.1033114E-01 Diamond 0.1430576E-02 Metallicity 0.8402011E+00 Ellipticity -0.1506149E+01 Gb(Abramov) 0.8334132E-02 Vb(Abramov) -0.6337124E-02 Hb(Abramov) 0.1997007E-02 Ex_ueg -0.1699160E-02 Ec_ueg -0.3909920E-03 Delta_ex -0.1979065E-02 Delta_ec 0.5676082E-03 Delta_et -0.4093425E-02 Pxc 0.4345767E+01 Qxc -0.3486674E+01 3,+1 66 3 -1 -1.376936 2.726411 -1.649450 Rho 0.1250083E+00 |GRAD(Rho)| 0.4033141E-15 GRAD(Rho)x -0.3867485E-15 GRAD(Rho)y -0.1135295E-15 GRAD(Rho)z -0.1410479E-16 Laplacian 0.4680493E+00 (-1/4)Del**2(Rho)) -0.1170123E+00 Diamond 0.7716135E+00 Metallicity 0.4601360E+01 Ellipticity 0.8761711E-01 Gb(Abramov) 0.1677442E+00 Vb(Abramov) -0.2184761E+00 Hb(Abramov) -0.5073187E-01 Ex_ueg -0.4616400E-01 Ec_ueg -0.6863449E-02 Delta_ex -0.4821056E-01 Delta_ec 0.1262993E-01 Delta_et -0.1638584E+00 Pxc 0.6726065E+01 Qxc -0.3817167E+01 3,-1 67 3 -1 -1.446409 2.707484 1.631008 Rho 0.1161730E+00 |GRAD(Rho)| 0.3142412E-12 GRAD(Rho)x 0.2623521E-12 GRAD(Rho)y 0.1521994E-12 GRAD(Rho)z 0.8218424E-13 Laplacian 0.4580889E+00 (-1/4)Del**2(Rho)) -0.1145222E+00 Diamond 0.7094009E+00 Metallicity 0.4160757E+01 Ellipticity 0.7879616E-01 Gb(Abramov) 0.1557647E+00 Vb(Abramov) -0.1970071E+00 Hb(Abramov) -0.4124245E-01 Ex_ueg -0.4186575E-01 Ec_ueg -0.6314768E-02 Delta_ex -0.4662068E-01 Delta_ec 0.1302125E-01 Delta_et -0.1674473E+00 Pxc 0.6629816E+01 Qxc -0.3580354E+01 3,-1 68 3 +1 -1.349851 -0.078251 -1.717671 Rho 0.5472942E-02 |GRAD(Rho)| 0.1372510E-17 GRAD(Rho)x 0.1052381E-17 GRAD(Rho)y -0.4114518E-18 GRAD(Rho)z 0.7790929E-18 Laplacian 0.1859780E-01 (-1/4)Del**2(Rho)) -0.4649451E-02 Diamond 0.3343059E-03 Metallicity 0.6297761E+00 Ellipticity -0.1761328E+01 Gb(Abramov) 0.3587653E-02 Vb(Abramov) -0.2525855E-02 Hb(Abramov) 0.1061798E-02 Ex_ueg -0.7123271E-03 Ec_ueg -0.1673218E-03 Delta_ex -0.8130904E-03 Delta_ec 0.3571869E-03 Delta_et -0.2084488E-02 Pxc 0.4257227E+01 Qxc -0.2276372E+01 3,+1 69 3 +1 -1.171067 1.486675 0.680219 Rho 0.1058497E-01 |GRAD(Rho)| 0.1049234E-16 GRAD(Rho)x 0.9507354E-17 GRAD(Rho)y 0.4433642E-17 GRAD(Rho)z 0.2057397E-18 Laplacian 0.4081591E-01 (-1/4)Del**2(Rho)) -0.1020398E-01 Diamond 0.1463010E-02 Metallicity 0.8615219E+00 Ellipticity -0.1570978E+01 Gb(Abramov) 0.8267811E-02 Vb(Abramov) -0.6331643E-02 Hb(Abramov) 0.1936168E-02 Ex_ueg -0.1716477E-02 Ec_ueg -0.3946467E-03 Delta_ex -0.1970605E-02 Delta_ec 0.5821346E-03 Delta_et -0.4189635E-02 Pxc 0.4349400E+01 Qxc -0.3385136E+01 3,+1 70 3 +3 -1.113073 0.655432 -1.782711 Rho 0.4394995E-02 |GRAD(Rho)| 0.9756846E-16 GRAD(Rho)x -0.5274480E-16 GRAD(Rho)y 0.8195046E-16 GRAD(Rho)z -0.4659679E-17 Laplacian 0.1568280E-01 (-1/4)Del**2(Rho)) -0.3920700E-02 Diamond 0.9947639E-04 Metallicity 0.5181476E+00 Ellipticity -0.3880843E+00 Gb(Abramov) 0.2952384E-02 Vb(Abramov) -0.1984067E-02 Hb(Abramov) 0.9683164E-03 Ex_ueg -0.5316954E-03 Ec_ueg -0.1209706E-03 Delta_ex -0.5313163E-03 Delta_ec 0.8419257E-04 Delta_et -0.6074789E-03 Pxc 0.4395245E+01 Qxc -0.6310727E+01 3,+3 71 3 +1 0.043511 0.944041 1.610403 Rho 0.7525343E-02 |GRAD(Rho)| 0.7422654E-15 GRAD(Rho)x 0.2059919E-15 GRAD(Rho)y -0.6026604E-15 GRAD(Rho)z -0.3812161E-15 Laplacian 0.2766709E-01 (-1/4)Del**2(Rho)) -0.6916773E-02 Diamond 0.6030628E-03 Metallicity 0.7197695E+00 Ellipticity -0.1430194E+01 Gb(Abramov) 0.5440929E-02 Vb(Abramov) -0.3965085E-02 Hb(Abramov) 0.1475844E-02 Ex_ueg -0.1089148E-02 Ec_ueg -0.2571566E-03 Delta_ex -0.1214502E-02 Delta_ec 0.3755818E-03 Delta_et -0.2491682E-02 Pxc 0.4235348E+01 Qxc -0.3233654E+01 3,+1 72 3 +3 1.808892 0.352751 0.021976 Rho 0.3860392E-02 |GRAD(Rho)| 0.1208952E-15 GRAD(Rho)x 0.6120358E-16 GRAD(Rho)y 0.2245251E-16 GRAD(Rho)z -0.1018118E-15 Laplacian 0.1384151E-01 (-1/4)Del**2(Rho)) -0.3460377E-02 Diamond 0.7706041E-04 Metallicity 0.4729502E+00 Ellipticity -0.4292443E+00 Gb(Abramov) 0.2579683E-02 Vb(Abramov) -0.1698988E-02 Hb(Abramov) 0.8806948E-03 Ex_ueg -0.4472603E-03 Ec_ueg -0.9820538E-04 Delta_ex -0.4573936E-03 Delta_ec 0.8245912E-04 Delta_et -0.5600748E-03 Pxc 0.4554336E+01 Qxc -0.5546913E+01 3,+3 73 3 -1 1.028537 -0.134811 3.594203 Rho 0.8654678E-01 |GRAD(Rho)| 0.1980234E-12 GRAD(Rho)x -0.1944388E-12 GRAD(Rho)y 0.7433466E-14 GRAD(Rho)z 0.3676382E-13 Laplacian 0.3616294E+00 (-1/4)Del**2(Rho)) -0.9040736E-01 Diamond 0.3843572E+00 Metallicity 0.3226767E+01 Ellipticity 0.8297290E-02 Gb(Abramov) 0.1088922E+00 Vb(Abramov) -0.1273769E+00 Hb(Abramov) -0.1848479E-01 Ex_ueg -0.2827394E-01 Ec_ueg -0.4517587E-02 Delta_ex -0.3422433E-01 Delta_ec 0.1064865E-01 Delta_et -0.1286104E+00 Pxc 0.6258637E+01 Qxc -0.3213958E+01 3,-1 74 3 +1 1.609945 -0.664695 0.002684 Rho 0.6586662E-02 |GRAD(Rho)| 0.8855082E-17 GRAD(Rho)x 0.8696514E-17 GRAD(Rho)y 0.3750743E-18 GRAD(Rho)z 0.1625561E-17 Laplacian 0.2431921E-01 (-1/4)Del**2(Rho)) -0.6079803E-02 Diamond 0.4677939E-03 Metallicity 0.6558018E+00 Ellipticity -0.1434596E+01 Gb(Abramov) 0.4717727E-02 Vb(Abramov) -0.3355650E-02 Hb(Abramov) 0.1362077E-02 Ex_ueg -0.9118826E-03 Ec_ueg -0.2158196E-03 Delta_ex -0.1048984E-02 Delta_ec 0.3594511E-03 Delta_et -0.2277682E-02 Pxc 0.4225207E+01 Qxc -0.2918293E+01 3,+1 75 3 -1 -1.114625 -0.200575 -3.490248 Rho 0.1843474E+00 |GRAD(Rho)| 0.1157973E-13 GRAD(Rho)x -0.5847699E-14 GRAD(Rho)y 0.9961512E-14 GRAD(Rho)z 0.8140868E-15 Laplacian 0.7404897E+00 (-1/4)Del**2(Rho)) -0.1851224E+00 Diamond 0.1902593E+01 Metallicity 0.5556770E+01 Ellipticity 0.8742754E-02 Gb(Abramov) 0.2948621E+00 Vb(Abramov) -0.4046017E+00 Hb(Abramov) -0.1097396E+00 Ex_ueg -0.7748798E-01 Ec_ueg -0.1067742E-01 Delta_ex -0.8356466E-01 Delta_ec 0.1755431E-01 Delta_et -0.2387312E+00 Pxc 0.7257179E+01 Qxc -0.4760351E+01 3,-1 76 3 +1 1.502836 1.480625 2.223898 Rho 0.3945743E-02 |GRAD(Rho)| 0.1478745E-17 GRAD(Rho)x -0.1184196E-17 GRAD(Rho)y -0.7873078E-18 GRAD(Rho)z -0.4056032E-18 Laplacian 0.1477246E-01 (-1/4)Del**2(Rho)) -0.3693114E-02 Diamond 0.2403363E-03 Metallicity 0.4595949E+00 Ellipticity -0.2505988E+01 Gb(Abramov) 0.2744965E-02 Vb(Abramov) -0.1796817E-02 Hb(Abramov) 0.9481486E-03 Ex_ueg -0.4604935E-03 Ec_ueg -0.1018298E-03 Delta_ex -0.6891418E-03 Delta_ec 0.4417667E-03 Delta_et -0.2243731E-02 Pxc 0.4522187E+01 Qxc -0.1559968E+01 3,+1 77 3 -1 -1.333640 -3.149618 -0.542813 Rho 0.3132770E+00 |GRAD(Rho)| 0.4683454E-15 GRAD(Rho)x -0.7017324E-16 GRAD(Rho)y 0.1738879E-15 GRAD(Rho)z -0.4291691E-15 Laplacian -0.1516479E+01 (-1/4)Del**2(Rho)) 0.3791198E+00 Diamond 0.5250608E+01 Metallicity -0.6566355E+01 Ellipticity 0.5217754E-02 Gb(Abramov) 0.1621593E+00 Vb(Abramov) -0.7034384E+00 Hb(Abramov) -0.5412791E+00 Ex_ueg -0.1571411E+00 Ec_ueg -0.1965187E-01 Delta_ex 0.1494464E+00 Delta_ec 0.5347100E-01 Delta_et -0.1256243E+01 Pxc 0.7996242E+01 Qxc 0.2794906E+01 3,-1 78 3 -1 -1.302550 -3.153743 0.263800 Rho 0.4267833E-01 |GRAD(Rho)| 0.3238195E-13 GRAD(Rho)x 0.2911618E-13 GRAD(Rho)y 0.6318094E-14 GRAD(Rho)z 0.1268543E-13 Laplacian 0.1200303E+00 (-1/4)Del**2(Rho)) -0.3000757E-01 Diamond 0.7262565E-01 Metallicity 0.2992275E+01 Ellipticity 0.4075038E-02 Gb(Abramov) 0.3497019E-01 Vb(Abramov) -0.3993282E-01 Hb(Abramov) -0.4962625E-02 Ex_ueg -0.1101527E-01 Ec_ueg -0.2014347E-02 Delta_ex -0.1075030E-01 Delta_ec 0.5819878E-02 Delta_et -0.5921282E-01 Pxc 0.5468406E+01 Qxc -0.1847170E+01 3,-1 79 3 +1 0.544886 -1.792437 -0.006416 Rho 0.7214835E-02 |GRAD(Rho)| 0.3471601E-13 GRAD(Rho)x -0.1138227E-13 GRAD(Rho)y 0.3278514E-13 GRAD(Rho)z -0.8828945E-15 Laplacian 0.2797167E-01 (-1/4)Del**2(Rho)) -0.6992917E-02 Diamond 0.5980602E-03 Metallicity 0.6636495E+00 Ellipticity -0.1398697E+01 Gb(Abramov) 0.5435419E-02 Vb(Abramov) -0.3877921E-02 Hb(Abramov) 0.1557498E-02 Ex_ueg -0.1029644E-02 Ec_ueg -0.2434369E-03 Delta_ex -0.1227664E-02 Delta_ec 0.4024197E-03 Delta_et -0.2620899E-02 Pxc 0.4229611E+01 Qxc -0.3050705E+01 3,+1 80 3 +3 0.607503 3.342159 -0.005968 Rho 0.1132041E-01 |GRAD(Rho)| 0.1583048E-16 GRAD(Rho)x 0.1495679E-16 GRAD(Rho)y 0.4671561E-17 GRAD(Rho)z 0.2252825E-17 Laplacian 0.4797210E-01 (-1/4)Del**2(Rho)) -0.1199302E-01 Diamond 0.1000354E-02 Metallicity 0.8198375E+00 Ellipticity -0.7809320E+00 Gb(Abramov) 0.9634072E-02 Vb(Abramov) -0.7275119E-02 Hb(Abramov) 0.2358953E-02 Ex_ueg -0.1877303E-02 Ec_ueg -0.4282881E-03 Delta_ex -0.2080310E-02 Delta_ec 0.1909160E-03 Delta_et -0.1752985E-02 Pxc 0.4383271E+01 Qxc -0.1089646E+02 3,+3 81 3 +1 -0.323826 2.840533 0.218397 Rho 0.2443482E-01 |GRAD(Rho)| 0.4214200E-16 GRAD(Rho)x 0.2955460E-16 GRAD(Rho)y -0.2934721E-16 GRAD(Rho)z -0.6419894E-17 Laplacian 0.8927994E-01 (-1/4)Del**2(Rho)) -0.2231998E-01 Diamond 0.1015358E-01 Metallicity 0.1588088E+01 Ellipticity -0.2824247E+01 Gb(Abramov) 0.2078767E-01 Vb(Abramov) -0.1925536E-01 Hb(Abramov) 0.1532313E-02 Ex_ueg -0.5236774E-02 Ec_ueg -0.1060300E-02 Delta_ex -0.5388901E-02 Delta_ec 0.1282833E-02 Delta_et -0.1131808E-01 Pxc 0.4938954E+01 Qxc -0.4200781E+01 3,+1 82 3 -1 -0.118279 2.374783 0.870318 Rho 0.4313124E-01 |GRAD(Rho)| 0.2859359E-16 GRAD(Rho)x -0.1222057E-16 GRAD(Rho)y 0.2568543E-16 GRAD(Rho)z -0.2917181E-17 Laplacian 0.1755351E+00 (-1/4)Del**2(Rho)) -0.4388376E-01 Diamond 0.7748080E-01 Metallicity 0.2082424E+01 Ellipticity 0.1514822E-01 Gb(Abramov) 0.4448661E-01 Vb(Abramov) -0.4508945E-01 Hb(Abramov) -0.6028455E-03 Ex_ueg -0.1117140E-01 Ec_ueg -0.2038868E-02 Delta_ex -0.1417010E-01 Delta_ec 0.5675611E-02 Delta_et -0.5763152E-01 Pxc 0.5479216E+01 Qxc -0.2496664E+01 3,-1 83 3 +3 1.192281 1.127633 1.744297 Rho 0.3332255E-02 |GRAD(Rho)| 0.3514383E-15 GRAD(Rho)x -0.6922178E-16 GRAD(Rho)y -0.3236001E-17 GRAD(Rho)z -0.3445385E-15 Laplacian 0.1295883E-01 (-1/4)Del**2(Rho)) -0.3239708E-02 Diamond 0.7279187E-04 Metallicity 0.3953160E+00 Ellipticity -0.1142247E+00 Gb(Abramov) 0.2373256E-02 Vb(Abramov) -0.1506805E-02 Hb(Abramov) 0.8664512E-03 Ex_ueg -0.3675948E-03 Ec_ueg -0.7586442E-04 Delta_ex -0.4337861E-03 Delta_ec 0.1162484E-03 Delta_et -0.6796115E-03 Pxc 0.4845418E+01 Qxc -0.3731545E+01 3,+3 84 3 +1 0.051243 0.919952 -1.563802 Rho 0.8343619E-02 |GRAD(Rho)| 0.1983269E-14 GRAD(Rho)x 0.4976638E-15 GRAD(Rho)y -0.1913845E-14 GRAD(Rho)z -0.1512719E-15 Laplacian 0.3207057E-01 (-1/4)Del**2(Rho)) -0.8017642E-02 Diamond 0.8298354E-03 Metallicity 0.7375033E+00 Ellipticity -0.1455365E+01 Gb(Abramov) 0.6330601E-02 Vb(Abramov) -0.4643560E-02 Hb(Abramov) 0.1687041E-02 Ex_ueg -0.1249849E-02 Ec_ueg -0.2935236E-03 Delta_ex -0.1456878E-02 Delta_ec 0.4565276E-03 Delta_et -0.3091836E-02 Pxc 0.4258089E+01 Qxc -0.3191216E+01 3,+1 85 3 +1 -1.528253 -0.091488 1.722065 Rho 0.4488607E-02 |GRAD(Rho)| 0.6704389E-17 GRAD(Rho)x -0.4269286E-19 GRAD(Rho)y 0.1079513E-17 GRAD(Rho)z -0.6616771E-17 Laplacian 0.1510084E-01 (-1/4)Del**2(Rho)) -0.3775211E-02 Diamond 0.2646420E-03 Metallicity 0.5573542E+00 Ellipticity -0.3098484E+01 Gb(Abramov) 0.2867496E-02 Vb(Abramov) -0.1959780E-02 Hb(Abramov) 0.9077154E-03 Ex_ueg -0.5468487E-03 Ec_ueg -0.1249723E-03 Delta_ex -0.6925895E-03 Delta_ec 0.3989762E-03 Delta_et -0.2128885E-02 Pxc 0.4375759E+01 Qxc -0.1735917E+01 3,+1 86 3 -1 -0.249730 2.425582 2.439739 Rho 0.1364504E+00 |GRAD(Rho)| 0.1488441E-14 GRAD(Rho)x -0.3254504E-15 GRAD(Rho)y 0.1326603E-14 GRAD(Rho)z -0.5913239E-15 Laplacian 0.5724204E+00 (-1/4)Del**2(Rho)) -0.1431051E+00 Diamond 0.1051875E+01 Metallicity 0.4353674E+01 Ellipticity 0.1117530E-01 Gb(Abramov) 0.1992422E+00 Vb(Abramov) -0.2553794E+00 Hb(Abramov) -0.5613713E-01 Ex_ueg -0.5188216E-01 Ec_ueg -0.7581868E-02 Delta_ex -0.6025447E-01 Delta_ec 0.1519876E-01 Delta_et -0.2001985E+00 Pxc 0.6842925E+01 Qxc -0.3964433E+01 3,-1 87 3 +3 1.170873 1.102118 -1.682971 Rho 0.3721025E-02 |GRAD(Rho)| 0.6254251E-17 GRAD(Rho)x -0.4677864E-17 GRAD(Rho)y -0.1168537E-17 GRAD(Rho)z 0.3983436E-17 Laplacian 0.1482983E-01 (-1/4)Del**2(Rho)) -0.3707459E-02 Diamond 0.9533990E-04 Metallicity 0.4151909E+00 Ellipticity -0.2264434E+00 Gb(Abramov) 0.2728190E-02 Vb(Abramov) -0.1748921E-02 Hb(Abramov) 0.9792690E-03 Ex_ueg -0.4258616E-03 Ec_ueg -0.9229543E-04 Delta_ex -0.5084327E-03 Delta_ec 0.1296501E-03 Delta_et -0.7835642E-03 Pxc 0.4614114E+01 Qxc -0.3921576E+01 3,+3 88 3 -1 -0.078521 0.850372 -3.264004 Rho 0.9502255E-01 |GRAD(Rho)| 0.2171774E-14 GRAD(Rho)x -0.6622442E-16 GRAD(Rho)y -0.1941142E-14 GRAD(Rho)z -0.9716925E-15 Laplacian 0.4075241E+00 (-1/4)Del**2(Rho)) -0.1018810E+00 Diamond 0.4970794E+00 Metallicity 0.3345834E+01 Ellipticity 0.4213420E-02 Gb(Abramov) 0.1247335E+00 Vb(Abramov) -0.1475860E+00 Hb(Abramov) -0.2285248E-01 Ex_ueg -0.3202486E-01 Ec_ueg -0.5024535E-02 Delta_ex -0.3962231E-01 Delta_ec 0.1216232E-01 Delta_et -0.1502839E+00 Pxc 0.6373697E+01 Qxc -0.3257792E+01 3,-1 89 3 +1 -0.461540 -3.237317 0.073439 Rho 0.1484172E-01 |GRAD(Rho)| 0.1925847E-11 GRAD(Rho)x 0.1351404E-11 GRAD(Rho)y 0.3811299E-12 GRAD(Rho)z 0.1318080E-11 Laplacian 0.6653034E-01 (-1/4)Del**2(Rho)) -0.1663258E-01 Diamond 0.3649875E-02 Metallicity 0.9283974E+00 Ellipticity -0.1485511E+01 Gb(Abramov) 0.1366200E-01 Vb(Abramov) -0.1069141E-01 Hb(Abramov) 0.2970587E-02 Ex_ueg -0.2693792E-02 Ec_ueg -0.5922922E-03 Delta_ex -0.3477867E-02 Delta_ec 0.8947284E-03 Delta_et -0.7042051E-02 Pxc 0.4548080E+01 Qxc -0.3887065E+01 3,+1 90 3 -1 -0.388788 -3.167798 -1.591047 Rho 0.1099283E+00 |GRAD(Rho)| 0.2017753E-15 GRAD(Rho)x 0.1993712E-15 GRAD(Rho)y 0.3102936E-16 GRAD(Rho)z -0.1253609E-17 Laplacian 0.4322839E+00 (-1/4)Del**2(Rho)) -0.1080710E+00 Diamond 0.6253309E+00 Metallicity 0.4021242E+01 Ellipticity 0.9740300E-01 Gb(Abramov) 0.1444772E+00 Vb(Abramov) -0.1808835E+00 Hb(Abramov) -0.3640625E-01 Ex_ueg -0.3889238E-01 Ec_ueg -0.5930302E-02 Delta_ex -0.4341451E-01 Delta_ec 0.1241291E-01 Delta_et -0.1579043E+00 Pxc 0.6558246E+01 Qxc -0.3497528E+01 3,-1 91 3 -1 -0.123558 -0.005988 -4.635646 Rho 0.1805673E+00 |GRAD(Rho)| 0.5863873E-15 GRAD(Rho)x 0.1363384E-16 GRAD(Rho)y 0.1181780E-15 GRAD(Rho)z -0.5741935E-15 Laplacian 0.6884975E+00 (-1/4)Del**2(Rho)) -0.1721244E+00 Diamond 0.1753284E+01 Metallicity 0.5773549E+01 Ellipticity 0.2255055E-01 Gb(Abramov) 0.2803777E+00 Vb(Abramov) -0.3886309E+00 Hb(Abramov) -0.1082533E+00 Ex_ueg -0.7537674E-01 Ec_ueg -0.1042821E-01 Delta_ex -0.7750734E-01 Delta_ec 0.1679759E-01 Delta_et -0.2291513E+00 Pxc 0.7228159E+01 Qxc -0.4614193E+01 3,-1 92 3 -1 0.166376 -0.442390 -2.479123 Rho 0.4336292E-01 |GRAD(Rho)| 0.1462519E-14 GRAD(Rho)x 0.6678048E-15 GRAD(Rho)y -0.7989590E-15 GRAD(Rho)z 0.1026968E-14 Laplacian 0.1795624E+00 (-1/4)Del**2(Rho)) -0.4489060E-01 Diamond 0.8119563E-01 Metallicity 0.2053976E+01 Ellipticity 0.1527004E-01 Gb(Abramov) 0.4529443E-01 Vb(Abramov) -0.4569826E-01 Hb(Abramov) -0.4038332E-03 Ex_ueg -0.1125148E-01 Ec_ueg -0.2051426E-02 Delta_ex -0.1458502E-01 Delta_ec 0.5932026E-02 Delta_et -0.6034306E-01 Pxc 0.5484713E+01 Qxc -0.2458691E+01 3,-1 93 3 -1 0.125667 -0.366302 -0.676672 Rho 0.1715295E+00 |GRAD(Rho)| 0.2120056E-15 GRAD(Rho)x 0.3122502E-16 GRAD(Rho)y -0.5898060E-16 GRAD(Rho)z -0.2012279E-15 Laplacian 0.4235098E+00 (-1/4)Del**2(Rho)) -0.1058775E+00 Diamond 0.1025184E+01 Metallicity 0.8616176E+01 Ellipticity 0.9844426E-02 Gb(Abramov) 0.2226281E+00 Vb(Abramov) -0.3393787E+00 Hb(Abramov) -0.1167506E+00 Ex_ueg -0.7038881E-01 Ec_ueg -0.9835676E-02 Delta_ex -0.4716024E-01 Delta_ec 0.1063813E-01 Delta_et -0.1447530E+00 Pxc 0.7156479E+01 Qxc -0.4433134E+01 3,-1 94 3 -1 0.119344 -0.366012 0.671078 Rho 0.1722921E+00 |GRAD(Rho)| 0.4198640E-15 GRAD(Rho)x -0.3226586E-15 GRAD(Rho)y 0.9887924E-16 GRAD(Rho)z -0.2498002E-15 Laplacian 0.4215066E+00 (-1/4)Del**2(Rho)) -0.1053766E+00 Diamond 0.1026985E+01 Metallicity 0.8721368E+01 Ellipticity 0.7405481E-02 Gb(Abramov) 0.2234225E+00 Vb(Abramov) -0.3414684E+00 Hb(Abramov) -0.1180459E+00 Ex_ueg -0.7080637E-01 Ec_ueg -0.9885491E-02 Delta_ex -0.4699899E-01 Delta_ec 0.1059351E-01 Delta_et -0.1442721E+00 Pxc 0.7162656E+01 Qxc -0.4436582E+01 3,-1 95 3 -1 -1.066597 -0.236089 3.551909 Rho 0.1837330E+00 |GRAD(Rho)| 0.4695097E-15 GRAD(Rho)x -0.4600270E-15 GRAD(Rho)y -0.4032554E-16 GRAD(Rho)z -0.8478461E-16 Laplacian 0.7360592E+00 (-1/4)Del**2(Rho)) -0.1840148E+00 Diamond 0.1885763E+01 Metallicity 0.5559201E+01 Ellipticity 0.7455883E-02 Gb(Abramov) 0.2931724E+00 Vb(Abramov) -0.4023300E+00 Hb(Abramov) -0.1091576E+00 Ex_ueg -0.7714384E-01 Ec_ueg -0.1063686E-01 Delta_ex -0.8301065E-01 Delta_ec 0.1749364E-01 Delta_et -0.2379199E+00 Pxc 0.7252500E+01 Qxc -0.4745189E+01 3,-1 96 3 -1 -0.055859 -0.016810 4.679081 Rho 0.1801544E+00 |GRAD(Rho)| 0.8411673E-14 GRAD(Rho)x -0.3746190E-15 GRAD(Rho)y -0.1023033E-14 GRAD(Rho)z -0.8340822E-14 Laplacian 0.6848827E+00 (-1/4)Del**2(Rho)) -0.1712207E+00 Diamond 0.1740871E+01 Metallicity 0.5781913E+01 Ellipticity 0.2104830E-01 Gb(Abramov) 0.2791443E+00 Vb(Abramov) -0.3870679E+00 Hb(Abramov) -0.1079236E+00 Ex_ueg -0.7514696E-01 Ec_ueg -0.1040103E-01 Delta_ex -0.7706838E-01 Delta_ec 0.1674148E-01 Delta_et -0.2283950E+00 Pxc 0.7224955E+01 Qxc -0.4603438E+01 3,-1 97 3 -1 0.012553 0.795735 -0.000720 Rho 0.1607933E+00 |GRAD(Rho)| 0.1520811E-14 GRAD(Rho)x -0.5559789E-15 GRAD(Rho)y -0.1415534E-14 GRAD(Rho)z -0.4065758E-17 Laplacian 0.3825637E+00 (-1/4)Del**2(Rho)) -0.9564093E-01 Diamond 0.8593279E+00 Metallicity 0.8564245E+01 Ellipticity 0.5133653E-02 Gb(Abramov) 0.2002760E+00 Vb(Abramov) -0.3049111E+00 Hb(Abramov) -0.1046351E+00 Ex_ueg -0.6457665E-01 Ec_ueg -0.9137980E-02 Delta_ex -0.4194540E-01 Delta_ec 0.9807634E-02 Delta_et -0.1324567E+00 Pxc 0.7066841E+01 Qxc -0.4276811E+01 3,-1 98 3 +1 1.467787 0.685336 -0.891049 Rho 0.6071366E-02 |GRAD(Rho)| 0.3921905E-14 GRAD(Rho)x -0.2871988E-14 GRAD(Rho)y 0.1764390E-14 GRAD(Rho)z 0.2004982E-14 Laplacian 0.2231352E-01 (-1/4)Del**2(Rho)) -0.5578380E-02 Diamond 0.3699272E-03 Metallicity 0.6240065E+00 Ellipticity -0.1370388E+01 Gb(Abramov) 0.4299078E-02 Vb(Abramov) -0.3019775E-02 Hb(Abramov) 0.1279303E-02 Ex_ueg -0.8180257E-03 Ec_ueg -0.1933055E-03 Delta_ex -0.9332505E-03 Delta_ec 0.3113953E-03 Delta_et -0.1946465E-02 Pxc 0.4231778E+01 Qxc -0.2996996E+01 3,+1 99 3 -1 -0.686340 3.900461 -2.363307 Rho 0.2160791E+00 |GRAD(Rho)| 0.4603020E-15 GRAD(Rho)x 0.6196215E-16 GRAD(Rho)y -0.4019137E-15 GRAD(Rho)z 0.2156478E-15 Laplacian 0.8057742E+00 (-1/4)Del**2(Rho)) -0.2014435E+00 Diamond 0.2517942E+01 Metallicity 0.6654074E+01 Ellipticity 0.7578885E-02 Gb(Abramov) 0.3576991E+00 Vb(Abramov) -0.5139546E+00 Hb(Abramov) -0.1562555E+00 Ex_ueg -0.9576393E-01 Ec_ueg -0.1280122E-01 Delta_ex -0.9477491E-01 Delta_ec 0.1841871E-01 Delta_et -0.2541233E+00 Pxc 0.7480842E+01 Qxc -0.5145577E+01 3,-1 100 3 -1 -0.669216 3.651356 -0.853653 Rho 0.1483329E+00 |GRAD(Rho)| 0.2966577E-15 GRAD(Rho)x 0.8811176E-16 GRAD(Rho)y -0.1573177E-15 GRAD(Rho)z -0.2355700E-15 Laplacian 0.5730480E+00 (-1/4)Del**2(Rho)) -0.1432620E+00 Diamond 0.1139270E+01 Metallicity 0.4998250E+01 Ellipticity 0.3273049E-01 Gb(Abramov) 0.2148512E+00 Vb(Abramov) -0.2864404E+00 Hb(Abramov) -0.7158922E-01 Ex_ueg -0.5799204E-01 Ec_ueg -0.8336881E-02 Delta_ex -0.6130524E-01 Delta_ec 0.1446207E-01 Delta_et -0.1919501E+00 Pxc 0.6956083E+01 Qxc -0.4239037E+01 3,-1 101 3 -1 -0.691584 3.636515 0.788873 Rho 0.9889056E-01 |GRAD(Rho)| 0.3778177E-15 GRAD(Rho)x 0.1108597E-16 GRAD(Rho)y 0.1890781E-15 GRAD(Rho)z -0.3269141E-15 Laplacian 0.4034964E+00 (-1/4)Del**2(Rho)) -0.1008741E+00 Diamond 0.5094066E+00 Metallicity 0.3611588E+01 Ellipticity 0.1333570E-01 Gb(Abramov) 0.1279687E+00 Vb(Abramov) -0.1550633E+00 Hb(Abramov) -0.2709459E-01 Ex_ueg -0.3377470E-01 Ec_ueg -0.5257895E-02 Delta_ex -0.3946774E-01 Delta_ec 0.1172171E-01 Delta_et -0.1458149E+00 Pxc 0.6423616E+01 Qxc -0.3367062E+01 3,-1 102 3 -1 -0.758501 3.918369 2.341070 Rho 0.1911699E+00 |GRAD(Rho)| 0.5720564E-13 GRAD(Rho)x 0.1553060E-13 GRAD(Rho)y -0.4357371E-13 GRAD(Rho)z -0.3365439E-13 Laplacian 0.7343795E+00 (-1/4)Del**2(Rho)) -0.1835949E+00 Diamond 0.1988477E+01 Metallicity 0.5952851E+01 Ellipticity 0.3854107E-02 Gb(Abramov) 0.3045487E+00 Vb(Abramov) -0.4255026E+00 Hb(Abramov) -0.1209539E+00 Ex_ueg -0.8133503E-01 Ec_ueg -0.1112929E-01 Delta_ex -0.8376811E-01 Delta_ec 0.1746386E-01 Delta_et -0.2390294E+00 Pxc 0.7308198E+01 Qxc -0.4796655E+01 3,-1 103 3 +1 1.401645 -1.506136 -2.930257 Rho 0.1082670E-01 |GRAD(Rho)| 0.2016219E-12 GRAD(Rho)x 0.1013310E-12 GRAD(Rho)y -0.2663401E-13 GRAD(Rho)z 0.1722615E-12 Laplacian 0.4271933E-01 (-1/4)Del**2(Rho)) -0.1067983E-01 Diamond 0.1077297E-02 Metallicity 0.8547036E+00 Ellipticity -0.1156410E+01 Gb(Abramov) 0.8641237E-02 Vb(Abramov) -0.6602641E-02 Hb(Abramov) 0.2038596E-02 Ex_ueg -0.1768940E-02 Ec_ueg -0.4056799E-03 Delta_ex -0.1908152E-02 Delta_ec 0.3122303E-03 Delta_et -0.2478533E-02 Pxc 0.4360434E+01 Qxc -0.6111362E+01 3,+1 104 3 -1 -0.435276 -3.154831 1.641487 Rho 0.1934934E+00 |GRAD(Rho)| 0.2812573E-15 GRAD(Rho)x -0.2587448E-15 GRAD(Rho)y 0.7246367E-17 GRAD(Rho)z -0.1100194E-15 Laplacian 0.7557231E+00 (-1/4)Del**2(Rho)) -0.1889308E+00 Diamond 0.2048205E+01 Metallicity 0.5902382E+01 Ellipticity 0.1882884E-01 Gb(Abramov) 0.3118108E+00 Vb(Abramov) -0.4346908E+00 Hb(Abramov) -0.1228800E+00 Ex_ueg -0.8265578E-01 Ec_ueg -0.1128378E-01 Delta_ex -0.8626903E-01 Delta_ec 0.1755860E-01 Delta_et -0.2394202E+00 Pxc 0.7325187E+01 Qxc -0.4913208E+01 3,-1 105 3 +1 1.495566 0.677023 0.896450 Rho 0.5762936E-02 |GRAD(Rho)| 0.1441220E-14 GRAD(Rho)x -0.7806941E-15 GRAD(Rho)y 0.9324296E-15 GRAD(Rho)z -0.7734379E-15 Laplacian 0.2081426E-01 (-1/4)Del**2(Rho)) -0.5203566E-02 Diamond 0.3208562E-03 Metallicity 0.6132794E+00 Ellipticity -0.1366988E+01 Gb(Abramov) 0.4000917E-02 Vb(Abramov) -0.2798269E-02 Hb(Abramov) 0.1202649E-02 Ex_ueg -0.7630917E-03 Ec_ueg -0.1798913E-03 Delta_ex -0.8590069E-03 Delta_ec 0.2895669E-03 Delta_et -0.1786217E-02 Pxc 0.4241959E+01 Qxc -0.2966523E+01 3,+1 106 3 -1 -0.059617 0.875189 3.346846 Rho 0.1128669E+00 |GRAD(Rho)| 0.2374755E-15 GRAD(Rho)x -0.7563157E-17 GRAD(Rho)y -0.2363019E-15 GRAD(Rho)z 0.2233456E-16 Laplacian 0.4746137E+00 (-1/4)Del**2(Rho)) -0.1186534E+00 Diamond 0.7057051E+00 Metallicity 0.3827226E+01 Ellipticity 0.7288289E-02 Gb(Abramov) 0.1547878E+00 Vb(Abramov) -0.1909223E+00 Hb(Abramov) -0.3613443E-01 Ex_ueg -0.4028475E-01 Ec_ueg -0.6110869E-02 Delta_ex -0.4791614E-01 Delta_ec 0.1347002E-01 Delta_et -0.1721161E+00 Pxc 0.6592311E+01 Qxc -0.3557244E+01 3,-1 107 3 -1 -0.092814 2.397799 -0.857469 Rho 0.4408982E-01 |GRAD(Rho)| 0.1620960E-13 GRAD(Rho)x -0.4411710E-15 GRAD(Rho)y -0.1850798E-14 GRAD(Rho)z -0.1609755E-13 Laplacian 0.1662745E+00 (-1/4)Del**2(Rho)) -0.4156861E-01 Diamond 0.6916268E-01 Metallicity 0.2280438E+01 Ellipticity 0.2087178E-01 Gb(Abramov) 0.4351151E-01 Vb(Abramov) -0.4545441E-01 Hb(Abramov) -0.1942900E-02 Ex_ueg -0.1150366E-01 Ec_ueg -0.2090884E-02 Delta_ex -0.1316602E-01 Delta_ec 0.4788059E-02 Delta_et -0.4881080E-01 Pxc 0.5501818E+01 Qxc -0.2749761E+01 3,-1 108 3 +1 1.008318 2.579705 0.595692 Rho 0.2443371E-01 |GRAD(Rho)| 0.4993763E-14 GRAD(Rho)x 0.4823492E-14 GRAD(Rho)y 0.8249838E-15 GRAD(Rho)z -0.9954887E-15 Laplacian 0.8838901E-01 (-1/4)Del**2(Rho)) -0.2209725E-01 Diamond 0.1088951E-01 Metallicity 0.1603973E+01 Ellipticity -0.4242735E+01 Gb(Abramov) 0.2063874E-01 Vb(Abramov) -0.1918022E-01 Hb(Abramov) 0.1458517E-02 Ex_ueg -0.5236457E-02 Ec_ueg -0.1060245E-02 Delta_ex -0.5428881E-02 Delta_ec 0.1437543E-02 Delta_et -0.1263387E-01 Pxc 0.4938914E+01 Qxc -0.3776501E+01 3,+1 109 3 +1 2.118240 -2.163384 -0.160202 Rho 0.5092145E-02 |GRAD(Rho)| 0.4537263E-17 GRAD(Rho)x 0.4012657E-17 GRAD(Rho)y 0.1497783E-17 GRAD(Rho)z -0.1497327E-17 Laplacian 0.1953819E-01 (-1/4)Del**2(Rho)) -0.4884547E-02 Diamond 0.4633975E-03 Metallicity 0.5315738E+00 Ellipticity -0.4471424E+01 Gb(Abramov) 0.3689114E-02 Vb(Abramov) -0.2493681E-02 Hb(Abramov) 0.1195433E-02 Ex_ueg -0.6470226E-03 Ec_ueg -0.1508803E-03 Delta_ex -0.9716274E-03 Delta_ec 0.6094851E-03 Delta_et -0.3330537E-02 Pxc 0.4288316E+01 Qxc -0.1594178E+01 3,+1 110 3 -1 0.488201 -1.911163 1.623078 Rho 0.3992694E-01 |GRAD(Rho)| 0.1249027E-13 GRAD(Rho)x 0.8931685E-14 GRAD(Rho)y 0.8715632E-14 GRAD(Rho)z 0.5192478E-15 Laplacian 0.1520298E+00 (-1/4)Del**2(Rho)) -0.3800745E-01 Diamond 0.5590163E-01 Metallicity 0.2114111E+01 Ellipticity 0.1705985E-01 Gb(Abramov) 0.3873030E-01 Vb(Abramov) -0.3945314E-01 Hb(Abramov) -0.7228465E-03 Ex_ueg -0.1007875E-01 Ec_ueg -0.1866149E-02 Delta_ex -0.1178036E-01 Delta_ec 0.4447923E-02 Delta_et -0.4417277E-01 Pxc 0.5400825E+01 Qxc -0.2648509E+01 3,-1 111 3 -1 0.048361 -1.215305 3.609420 Rho 0.9907607E-01 |GRAD(Rho)| 0.2373209E-15 GRAD(Rho)x 0.2989687E-16 GRAD(Rho)y 0.2334558E-15 GRAD(Rho)z 0.3042627E-16 Laplacian 0.4044340E+00 (-1/4)Del**2(Rho)) -0.1011085E+00 Diamond 0.5157454E+00 Metallicity 0.3614488E+01 Ellipticity 0.1912198E-01 Gb(Abramov) 0.1283149E+00 Vb(Abramov) -0.1555213E+00 Hb(Abramov) -0.2720641E-01 Ex_ueg -0.3385921E-01 Ec_ueg -0.5269118E-02 Delta_ex -0.3964579E-01 Delta_ec 0.1186784E-01 Delta_et -0.1478326E+00 Pxc 0.6425972E+01 Qxc -0.3340607E+01 3,-1 112 3 +1 0.246803 -1.338370 -2.523124 Rho 0.2440893E-01 |GRAD(Rho)| 0.3999078E-16 GRAD(Rho)x -0.5680617E-17 GRAD(Rho)y 0.9322400E-17 GRAD(Rho)z -0.3847189E-16 Laplacian 0.9064084E-01 (-1/4)Del**2(Rho)) -0.2266021E-01 Diamond 0.1213762E-01 Metallicity 0.1561483E+01 Ellipticity -0.8673559E+01 Gb(Abramov) 0.2100406E-01 Vb(Abramov) -0.1934791E-01 Hb(Abramov) 0.1656148E-02 Ex_ueg -0.5229379E-02 Ec_ueg -0.1059001E-02 Delta_ex -0.5676260E-02 Delta_ec 0.1671610E-02 Delta_et -0.1463616E-01 Pxc 0.4938030E+01 Qxc -0.3395685E+01 3,+1 113 3 -1 0.553864 -1.897325 -1.626466 Rho 0.4050400E-01 |GRAD(Rho)| 0.9418845E-17 GRAD(Rho)x -0.8104782E-17 GRAD(Rho)y 0.4352902E-17 GRAD(Rho)z 0.2019750E-17 Laplacian 0.1678455E+00 (-1/4)Del**2(Rho)) -0.4196139E-01 Diamond 0.6882851E-01 Metallicity 0.1961251E+01 Ellipticity 0.2332007E-01 Gb(Abramov) 0.4169040E-01 Vb(Abramov) -0.4141940E-01 Hb(Abramov) 0.2709916E-03 Ex_ueg -0.1027343E-01 Ec_ueg -0.1897119E-02 Delta_ex -0.1338886E-01 Delta_ec 0.5510891E-02 Delta_et -0.5501571E-01 Pxc 0.5415281E+01 Qxc -0.2429527E+01 3,-1 114 3 +1 0.248469 -1.195914 2.599184 Rho 0.2397030E-01 |GRAD(Rho)| 0.1648247E-16 GRAD(Rho)x 0.1435286E-17 GRAD(Rho)y 0.4521770E-17 GRAD(Rho)z -0.1578498E-16 Laplacian 0.9072064E-01 (-1/4)Del**2(Rho)) -0.2268016E-01 Diamond 0.1026450E-01 Metallicity 0.1513664E+01 Ellipticity -0.2676621E+01 Gb(Abramov) 0.2084180E-01 Vb(Abramov) -0.1900343E-01 Hb(Abramov) 0.1838364E-02 Ex_ueg -0.5104457E-02 Ec_ueg -0.1037011E-02 Delta_ex -0.5472171E-02 Delta_ec 0.1348036E-02 Delta_et -0.1182713E-01 Pxc 0.4922278E+01 Qxc -0.4059365E+01 3,+1 115 3 -1 -0.028807 -1.236268 -3.606130 Rho 0.1130437E+00 |GRAD(Rho)| 0.4765608E-14 GRAD(Rho)x -0.5286739E-15 GRAD(Rho)y 0.4710614E-14 GRAD(Rho)z -0.4915595E-15 Laplacian 0.4494339E+00 (-1/4)Del**2(Rho)) -0.1123585E+00 Diamond 0.6681461E+00 Metallicity 0.4052207E+01 Ellipticity 0.1073755E-01 Gb(Abramov) 0.1507889E+00 Vb(Abramov) -0.1892194E+00 Hb(Abramov) -0.3843046E-01 Ex_ueg -0.4036892E-01 Ec_ueg -0.6121754E-02 Delta_ex -0.4537063E-01 Delta_ec 0.1271513E-01 Delta_et -0.1624676E+00 Pxc 0.6594338E+01 Qxc -0.3568239E+01 3,-1 116 3 +1 1.491743 1.403572 -2.225898 Rho 0.4533294E-02 |GRAD(Rho)| 0.9428062E-17 GRAD(Rho)x -0.7756221E-17 GRAD(Rho)y 0.6140414E-18 GRAD(Rho)z -0.5324693E-17 Laplacian 0.1732913E-01 (-1/4)Del**2(Rho)) -0.4332282E-02 Diamond 0.3452753E-03 Metallicity 0.4937718E+00 Ellipticity -0.3014707E+01 Gb(Abramov) 0.3244714E-02 Vb(Abramov) -0.2157147E-02 Hb(Abramov) 0.1087568E-02 Ex_ueg -0.5541196E-03 Ec_ueg -0.1268841E-03 Delta_ex -0.8360683E-03 Delta_ec 0.5287141E-03 Delta_et -0.2794939E-02 Pxc 0.4367131E+01 Qxc -0.1581324E+01 3,+1 117 3 -1 1.618380 -2.782289 -2.047748 Rho 0.1318285E+00 |GRAD(Rho)| 0.1264472E-14 GRAD(Rho)x -0.1212517E-14 GRAD(Rho)y -0.3516474E-15 GRAD(Rho)z 0.7095764E-16 Laplacian 0.5383605E+00 (-1/4)Del**2(Rho)) -0.1345901E+00 Diamond 0.9516037E+00 Metallicity 0.4370744E+01 Ellipticity 0.2489912E-01 Gb(Abramov) 0.1877699E+00 Vb(Abramov) -0.2409497E+00 Hb(Abramov) -0.5317978E-01 Ex_ueg -0.4955232E-01 Ec_ueg -0.7290631E-02 Delta_ex -0.5622950E-01 Delta_ec 0.1446385E-01 Delta_et -0.1895518E+00 Pxc 0.6796712E+01 Qxc -0.3887590E+01 3,-1 118 3 +3 1.298576 -1.377907 2.682558 Rho 0.1084159E-01 |GRAD(Rho)| 0.2878154E-16 GRAD(Rho)x -0.1092387E-16 GRAD(Rho)y 0.7138968E-17 GRAD(Rho)z -0.2565309E-16 Laplacian 0.4562457E-01 (-1/4)Del**2(Rho)) -0.1140614E-01 Diamond 0.8009702E-03 Metallicity 0.8021142E+00 Ellipticity -0.5545553E+00 Gb(Abramov) 0.9128934E-02 Vb(Abramov) -0.6851724E-02 Hb(Abramov) 0.2277210E-02 Ex_ueg -0.1772186E-02 Ec_ueg -0.4063605E-03 Delta_ex -0.1922316E-02 Delta_ec 0.1256585E-03 Delta_et -0.1295818E-02 Pxc 0.4361117E+01 Qxc -0.1529794E+02 3,+3 119 3 -1 0.182436 -0.420951 2.497298 Rho 0.4016106E-01 |GRAD(Rho)| 0.6405877E-16 GRAD(Rho)x -0.1857331E-17 GRAD(Rho)y 0.3687346E-17 GRAD(Rho)z -0.6392558E-16 Laplacian 0.1656926E+00 (-1/4)Del**2(Rho)) -0.4142315E-01 Diamond 0.6790425E-01 Metallicity 0.1958778E+01 Ellipticity 0.1779608E-01 Gb(Abramov) 0.4113857E-01 Vb(Abramov) -0.4085398E-01 Hb(Abramov) 0.2845877E-03 Ex_ueg -0.1015762E-01 Ec_ueg -0.1878707E-02 Delta_ex -0.1323252E-01 Delta_ec 0.5516593E-02 Delta_et -0.5495203E-01 Pxc 0.5406709E+01 Qxc -0.2398676E+01 3,-1 120 3 -1 0.532770 3.411540 -1.570621 Rho 0.1636039E+00 |GRAD(Rho)| 0.1119489E-13 GRAD(Rho)x -0.6475858E-14 GRAD(Rho)y 0.5977288E-14 GRAD(Rho)z -0.6903678E-14 Laplacian 0.6349931E+00 (-1/4)Del**2(Rho)) -0.1587483E+00 Diamond 0.1423881E+01 Metallicity 0.5310885E+01 Ellipticity 0.3881224E-01 Gb(Abramov) 0.2463478E+00 Vb(Abramov) -0.3339474E+00 Hb(Abramov) -0.8759955E-01 Ex_ueg -0.6608607E-01 Ec_ueg -0.9319972E-02 Delta_ex -0.6963313E-01 Delta_ec 0.1569425E-01 Delta_et -0.2111395E+00 Pxc 0.7090801E+01 Qxc -0.4436857E+01 3,-1 121 3 -1 0.510199 3.413900 1.559210 Rho 0.1285275E+00 |GRAD(Rho)| 0.8224513E-14 GRAD(Rho)x -0.2410344E-14 GRAD(Rho)y -0.5808681E-14 GRAD(Rho)z 0.5300197E-14 Laplacian 0.5181898E+00 (-1/4)Del**2(Rho)) -0.1295474E+00 Diamond 0.8901137E+00 Metallicity 0.4352955E+01 Ellipticity 0.1601571E-01 Gb(Abramov) 0.1803507E+00 Vb(Abramov) -0.2311539E+00 Hb(Abramov) -0.5080323E-01 Ex_ueg -0.4790487E-01 Ec_ueg -0.7083485E-02 Delta_ex -0.5381491E-01 Delta_ec 0.1404169E-01 Delta_et -0.1833042E+00 Pxc 0.6762895E+01 Qxc -0.3832509E+01 3,-1 122 3 +1 0.643423 3.539324 -0.011336 Rho 0.1140531E-01 |GRAD(Rho)| 0.3416138E-17 GRAD(Rho)x 0.3105484E-17 GRAD(Rho)y 0.1300976E-17 GRAD(Rho)z 0.5774364E-18 Laplacian 0.4904169E-01 (-1/4)Del**2(Rho)) -0.1226042E-01 Diamond 0.1389542E-02 Metallicity 0.8120070E+00 Ellipticity -0.1134918E+01 Gb(Abramov) 0.9832873E-02 Vb(Abramov) -0.7405324E-02 Hb(Abramov) 0.2427549E-02 Ex_ueg -0.1896101E-02 Ec_ueg -0.4321862E-03 Delta_ex -0.2241488E-02 Delta_ec 0.3918037E-03 Delta_et -0.3094524E-02 Pxc 0.4387230E+01 Qxc -0.5720947E+01 3,+1 123 3 +1 1.456425 -1.520585 2.956947 Rho 0.1125775E-01 |GRAD(Rho)| 0.1302581E-15 GRAD(Rho)x -0.5795361E-16 GRAD(Rho)y 0.4565466E-16 GRAD(Rho)z -0.1073509E-15 Laplacian 0.4806917E-01 (-1/4)Del**2(Rho)) -0.1201729E-01 Diamond 0.1424797E-02 Metallicity 0.8106481E+00 Ellipticity -0.1196429E+01 Gb(Abramov) 0.9635161E-02 Vb(Abramov) -0.7253029E-02 Hb(Abramov) 0.2382132E-02 Ex_ueg -0.1863461E-02 Ec_ueg -0.4254133E-03 Delta_ex -0.2216487E-02 Delta_ec 0.4329674E-03 Delta_et -0.3347641E-02 Pxc 0.4380355E+01 Qxc -0.5119292E+01 3,+1 124 3 -1 1.375910 2.100164 0.030682 Rho 0.4009491E-01 |GRAD(Rho)| 0.4287650E-15 GRAD(Rho)x 0.3840663E-15 GRAD(Rho)y 0.1904191E-15 GRAD(Rho)z 0.8544683E-17 Laplacian 0.1643213E+00 (-1/4)Del**2(Rho)) -0.4108031E-01 Diamond 0.6655030E-01 Metallicity 0.1969706E+01 Ellipticity 0.2710608E-01 Gb(Abramov) 0.4087290E-01 Vb(Abramov) -0.4066549E-01 Hb(Abramov) 0.2074130E-03 Ex_ueg -0.1013532E-01 Ec_ueg -0.1875157E-02 Delta_ex -0.1308066E-01 Delta_ec 0.5404737E-02 Delta_et -0.5380639E-01 Pxc 0.5405049E+01 Qxc -0.2420222E+01 3,-1 125 3 +1 1.660157 -1.367966 -1.760255 Rho 0.2017653E-01 |GRAD(Rho)| 0.2445911E-12 GRAD(Rho)x 0.2076901E-12 GRAD(Rho)y 0.1260699E-12 GRAD(Rho)z -0.2821416E-13 Laplacian 0.7020060E-01 (-1/4)Del**2(Rho)) -0.1755015E-01 Diamond 0.6099271E-02 Metallicity 0.1467856E+01 Ellipticity -0.2670980E+01 Gb(Abramov) 0.1599361E-01 Vb(Abramov) -0.1443708E-01 Hb(Abramov) 0.1556536E-02 Ex_ueg -0.4056771E-02 Ec_ueg -0.8490696E-03 Delta_ex -0.4018186E-02 Delta_ec 0.1000814E-02 Delta_et -0.8446053E-02 Pxc 0.4777902E+01 Qxc -0.4014920E+01 3,+1 126 3 +1 1.618812 -1.393762 1.738378 Rho 0.2073438E-01 |GRAD(Rho)| 0.1747467E-16 GRAD(Rho)x -0.1247742E-16 GRAD(Rho)y -0.6856472E-17 GRAD(Rho)z -0.1013246E-16 Laplacian 0.7486760E-01 (-1/4)Del**2(Rho)) -0.1871690E-01 Diamond 0.7153689E-02 Metallicity 0.1440359E+01 Ellipticity -0.2964694E+01 Gb(Abramov) 0.1697111E-01 Vb(Abramov) -0.1522532E-01 Hb(Abramov) 0.1745790E-02 Ex_ueg -0.4207005E-02 Ec_ueg -0.8764429E-03 Delta_ex -0.4372739E-02 Delta_ec 0.1166796E-02 Delta_et -0.9869009E-02 Pxc 0.4800090E+01 Qxc -0.3747648E+01 3,+1 127 3 -1 1.731154 -0.674546 1.636441 Rho 0.2900021E-01 |GRAD(Rho)| 0.2072167E-16 GRAD(Rho)x 0.1906502E-16 GRAD(Rho)y 0.2556650E-18 GRAD(Rho)z 0.8114629E-17 Laplacian 0.1162767E+00 (-1/4)Del**2(Rho)) -0.2906917E-01 Diamond 0.2955942E-01 Metallicity 0.1622267E+01 Ellipticity 0.7200097E-01 Gb(Abramov) 0.2723911E-01 Vb(Abramov) -0.2540905E-01 Hb(Abramov) 0.1830063E-02 Ex_ueg -0.6580415E-02 Ec_ueg -0.1292153E-02 Delta_ex -0.8497066E-02 Delta_ec 0.3707505E-02 Delta_et -0.3371640E-01 Pxc 0.5092597E+01 Qxc -0.2291856E+01 3,-1 128 3 +1 1.092343 2.568765 -0.544708 Rho 0.2314012E-01 |GRAD(Rho)| 0.2089861E-16 GRAD(Rho)x -0.1735180E-16 GRAD(Rho)y -0.6026569E-17 GRAD(Rho)z 0.9967325E-17 Laplacian 0.8508957E-01 (-1/4)Del**2(Rho)) -0.2127239E-01 Diamond 0.8455312E-02 Metallicity 0.1521760E+01 Ellipticity -0.2255157E+01 Gb(Abramov) 0.1957684E-01 Vb(Abramov) -0.1788129E-01 Hb(Abramov) 0.1695551E-02 Ex_ueg -0.4870115E-02 Ec_ueg -0.9955357E-03 Delta_ex -0.4997580E-02 Delta_ec 0.1110658E-02 Delta_et -0.9713981E-02 Pxc 0.4891954E+01 Qxc -0.4499657E+01 3,+1 129 3 -1 0.813523 -3.257021 -0.881318 Rho 0.1132569E+00 |GRAD(Rho)| 0.3292340E-12 GRAD(Rho)x -0.2481690E-13 GRAD(Rho)y 0.1865926E-13 GRAD(Rho)z -0.3277666E-12 Laplacian 0.4828945E+00 (-1/4)Del**2(Rho)) -0.1207236E+00 Diamond 0.7177517E+00 Metallicity 0.3783280E+01 Ellipticity 0.1113369E-01 Gb(Abramov) 0.1566043E+00 Vb(Abramov) -0.1924850E+00 Hb(Abramov) -0.3588068E-01 Ex_ueg -0.4047043E-01 Ec_ueg -0.6134878E-02 Delta_ex -0.4874441E-01 Delta_ec 0.1361026E-01 Delta_et -0.1739014E+00 Pxc 0.6596779E+01 Qxc -0.3581446E+01 3,-1 130 3 -1 1.513661 -2.803656 2.018696 Rho 0.1183185E+00 |GRAD(Rho)| 0.8466100E-15 GRAD(Rho)x -0.3132802E-15 GRAD(Rho)y -0.3891608E-15 GRAD(Rho)z -0.6834895E-15 Laplacian 0.4699070E+00 (-1/4)Del**2(Rho)) -0.1174767E+00 Diamond 0.7076232E+00 Metallicity 0.4181725E+01 Ellipticity 0.1013512E-01 Gb(Abramov) 0.1601937E+00 Vb(Abramov) -0.2029107E+00 Hb(Abramov) -0.4271698E-01 Ex_ueg -0.4289978E-01 Ec_ueg -0.6447501E-02 Delta_ex -0.4753357E-01 Delta_ec 0.1241669E-01 Delta_et -0.1588684E+00 Pxc 0.6653707E+01 Qxc -0.3828200E+01 3,-1 131 3 +3 1.549194 -1.628660 0.003710 Rho 0.3843991E-02 |GRAD(Rho)| 0.3655601E-17 GRAD(Rho)x -0.1350429E-17 GRAD(Rho)y 0.3920970E-18 GRAD(Rho)z 0.3374317E-17 Laplacian 0.1531208E-01 (-1/4)Del**2(Rho)) -0.3828020E-02 Diamond 0.9493282E-04 Metallicity 0.4245052E+00 Ellipticity -0.2578000E+00 Gb(Abramov) 0.2822849E-02 Vb(Abramov) -0.1817678E-02 Hb(Abramov) 0.1005171E-02 Ex_ueg -0.4447285E-03 Ec_ueg -0.9750936E-04 Delta_ex -0.5188353E-03 Delta_ec 0.1151767E-03 Delta_et -0.7293391E-03 Pxc 0.4560880E+01 Qxc -0.4504689E+01 3,+3 132 3 +1 1.454917 -0.465864 -2.278564 Rho 0.2239689E-01 |GRAD(Rho)| 0.1043905E-16 GRAD(Rho)x -0.1043117E-16 GRAD(Rho)y -0.3379742E-18 GRAD(Rho)z -0.2241924E-18 Laplacian 0.8046923E-01 (-1/4)Del**2(Rho)) -0.2011731E-01 Diamond 0.9087829E-02 Metallicity 0.1523922E+01 Ellipticity -0.4823877E+01 Gb(Abramov) 0.1852107E-01 Vb(Abramov) -0.1692484E-01 Hb(Abramov) 0.1596234E-02 Ex_ueg -0.4662677E-02 Ec_ueg -0.9585663E-03 Delta_ex -0.4865589E-02 Delta_ec 0.1374714E-02 Delta_et -0.1180737E-01 Pxc 0.4864220E+01 Qxc -0.3539345E+01 3,+1 133 3 -1 1.739796 -0.632934 -1.649446 Rho 0.2899038E-01 |GRAD(Rho)| 0.5773631E-16 GRAD(Rho)x 0.5436257E-16 GRAD(Rho)y 0.2859994E-17 GRAD(Rho)z -0.1923569E-16 Laplacian 0.1163159E+00 (-1/4)Del**2(Rho)) -0.2907896E-01 Diamond 0.2945391E-01 Metallicity 0.1620805E+01 Ellipticity 0.8852445E-01 Gb(Abramov) 0.2724120E-01 Vb(Abramov) -0.2540343E-01 Hb(Abramov) 0.1837767E-02 Ex_ueg -0.6577440E-02 Ec_ueg -0.1291648E-02 Delta_ex -0.8490164E-02 Delta_ec 0.3692548E-02 Delta_et -0.3357819E-01 Pxc 0.5092285E+01 Qxc -0.2299269E+01 3,-1 134 3 +1 1.407764 -0.465398 2.309741 Rho 0.2192782E-01 |GRAD(Rho)| 0.1588498E-13 GRAD(Rho)x 0.1577325E-13 GRAD(Rho)y -0.5885606E-15 GRAD(Rho)z 0.1786265E-14 Laplacian 0.7953878E-01 (-1/4)Del**2(Rho)) -0.1988469E-01 Diamond 0.9408729E-02 Metallicity 0.1488310E+01 Ellipticity -0.1093634E+02 Gb(Abramov) 0.1818889E-01 Vb(Abramov) -0.1649309E-01 Hb(Abramov) 0.1695800E-02 Ex_ueg -0.4532930E-02 Ec_ueg -0.9353146E-03 Delta_ex -0.4870894E-02 Delta_ec 0.1516703E-02 Delta_et -0.1290838E-01 Pxc 0.4846423E+01 Qxc -0.3211502E+01 3,+1 135 3 -1 0.985374 -0.148138 -3.586335 Rho 0.8552885E-01 |GRAD(Rho)| 0.2192971E-15 GRAD(Rho)x -0.2185142E-15 GRAD(Rho)y -0.5231805E-17 GRAD(Rho)z 0.1775932E-16 Laplacian 0.3567578E+00 (-1/4)Del**2(Rho)) -0.8918945E-01 Diamond 0.3732509E+00 Metallicity 0.3206964E+01 Ellipticity 0.1036288E-01 Gb(Abramov) 0.1071309E+00 Vb(Abramov) -0.1250723E+00 Hb(Abramov) -0.1794141E-01 Ex_ueg -0.2783141E-01 Ec_ueg -0.4457127E-02 Delta_ex -0.3366147E-01 Delta_ec 0.1051090E-01 Delta_et -0.1265998E+00 Pxc 0.6244249E+01 Qxc -0.3202530E+01 3,-1 136 3 +1 3.069514 0.585857 -0.000155 Rho 0.1129423E-01 |GRAD(Rho)| 0.2102575E-16 GRAD(Rho)x -0.8531153E-18 GRAD(Rho)y -0.1486874E-16 GRAD(Rho)z -0.1484166E-16 Laplacian 0.4985765E-01 (-1/4)Del**2(Rho)) -0.1246441E-01 Diamond 0.1672019E-02 Metallicity 0.7857945E+00 Ellipticity -0.1266977E+01 Gb(Abramov) 0.9942020E-02 Vb(Abramov) -0.7419627E-02 Hb(Abramov) 0.2522393E-02 Ex_ueg -0.1871517E-02 Ec_ueg -0.4270869E-03 Delta_ex -0.2359778E-02 Delta_ec 0.5540170E-03 Delta_et -0.4166699E-02 Pxc 0.4382052E+01 Qxc -0.4259397E+01 3,+1 137 3 -1 2.475559 -0.327688 -2.788009 Rho 0.1436521E+00 |GRAD(Rho)| 0.2133175E-15 GRAD(Rho)x -0.1447410E-15 GRAD(Rho)y 0.4742707E-16 GRAD(Rho)z 0.1493488E-15 Laplacian 0.5721556E+00 (-1/4)Del**2(Rho)) -0.1430389E+00 Diamond 0.1115537E+01 Metallicity 0.4745542E+01 Ellipticity 0.1373649E-01 Gb(Abramov) 0.2084921E+00 Vb(Abramov) -0.2739454E+00 Hb(Abramov) -0.6545323E-01 Ex_ueg -0.5556499E-01 Ec_ueg -0.8038406E-02 Delta_ex -0.6095196E-01 Delta_ec 0.1495055E-01 Delta_et -0.1983979E+00 Pxc 0.6912438E+01 Qxc -0.4076904E+01 3,-1 138 3 -1 3.951968 -0.613213 -2.301549 Rho 0.1856257E+00 |GRAD(Rho)| 0.2797123E-15 GRAD(Rho)x -0.2345129E-15 GRAD(Rho)y 0.8493030E-16 GRAD(Rho)z 0.1266077E-15 Laplacian 0.6990900E+00 (-1/4)Del**2(Rho)) -0.1747725E+00 Diamond 0.1836848E+01 Metallicity 0.5954021E+01 Ellipticity 0.2231572E-02 Gb(Abramov) 0.2899482E+00 Vb(Abramov) -0.4051239E+00 Hb(Abramov) -0.1151757E+00 Ex_ueg -0.7820526E-01 Ec_ueg -0.1076189E-01 Delta_ex -0.7922321E-01 Delta_ec 0.1688566E-01 Delta_et -0.2308735E+00 Pxc 0.7266870E+01 Qxc -0.4691746E+01 3,-1 139 3 -1 2.493744 -0.372641 2.769752 Rho 0.1444010E+00 |GRAD(Rho)| 0.1392787E-13 GRAD(Rho)x -0.1179269E-13 GRAD(Rho)y -0.7089307E-14 GRAD(Rho)z 0.2158647E-14 Laplacian 0.5766482E+00 (-1/4)Del**2(Rho)) -0.1441620E+00 Diamond 0.1131283E+01 Metallicity 0.4749549E+01 Ellipticity 0.1566889E-01 Gb(Abramov) 0.2102255E+00 Vb(Abramov) -0.2762889E+00 Hb(Abramov) -0.6606344E-01 Ex_ueg -0.5595151E-01 Ec_ueg -0.8086064E-02 Delta_ex -0.6150778E-01 Delta_ec 0.1504781E-01 Delta_et -0.1998425E+00 Pxc 0.6919499E+01 Qxc -0.4087489E+01 3,-1 140 3 -1 3.154686 -0.759868 -0.922269 Rho 0.1246101E+00 |GRAD(Rho)| 0.9102534E-15 GRAD(Rho)x -0.8619746E-16 GRAD(Rho)y 0.1889053E-15 GRAD(Rho)z -0.8862540E-15 Laplacian 0.5269335E+00 (-1/4)Del**2(Rho)) -0.1317334E+00 Diamond 0.8730951E+00 Metallicity 0.4065491E+01 Ellipticity 0.2288913E-01 Gb(Abramov) 0.1770824E+00 Vb(Abramov) -0.2224314E+00 Hb(Abramov) -0.4534901E-01 Ex_ueg -0.4596807E-01 Ec_ueg -0.6838608E-02 Delta_ex -0.5433310E-01 Delta_ec 0.1440558E-01 Delta_et -0.1870949E+00 Pxc 0.6721846E+01 Qxc -0.3771671E+01 3,-1 141 3 -1 3.035663 0.398548 1.638456 Rho 0.1042950E+00 |GRAD(Rho)| 0.3661662E-15 GRAD(Rho)x 0.5587601E-16 GRAD(Rho)y -0.3582475E-15 GRAD(Rho)z -0.5113030E-16 Laplacian 0.4426350E+00 (-1/4)Del**2(Rho)) -0.1106588E+00 Diamond 0.5997220E+00 Metallicity 0.3597550E+01 Ellipticity 0.1929368E-01 Gb(Abramov) 0.1401226E+00 Vb(Abramov) -0.1695864E+00 Hb(Abramov) -0.2946381E-01 Ex_ueg -0.3625795E-01 Ec_ueg -0.5585957E-02 Delta_ex -0.4389428E-01 Delta_ec 0.1282207E-01 Delta_et -0.1613730E+00 Pxc 0.6490912E+01 Qxc -0.3423338E+01 3,-1 142 3 -1 3.306719 3.219287 0.030089 Rho 0.1887751E+00 |GRAD(Rho)| 0.9615236E-15 GRAD(Rho)x 0.8371125E-15 GRAD(Rho)y 0.4730374E-15 GRAD(Rho)z -0.2419126E-17 Laplacian 0.7179310E+00 (-1/4)Del**2(Rho)) -0.1794828E+00 Diamond 0.1920323E+01 Metallicity 0.5962636E+01 Ellipticity 0.3106620E-02 Gb(Abramov) 0.2980202E+00 Vb(Abramov) -0.4165577E+00 Hb(Abramov) -0.1185375E+00 Ex_ueg -0.7997938E-01 Ec_ueg -0.1097038E-01 Delta_ex -0.8167166E-01 Delta_ec 0.1720388E-01 Delta_et -0.2354281E+00 Pxc 0.7290485E+01 Qxc -0.4747281E+01 3,-1 143 3 -1 2.738445 -1.579699 -2.057343 Rho 0.1139261E+00 |GRAD(Rho)| 0.2317975E-12 GRAD(Rho)x -0.6486910E-13 GRAD(Rho)y -0.2213755E-12 GRAD(Rho)z -0.2269216E-13 Laplacian 0.4654077E+00 (-1/4)Del**2(Rho)) -0.1163519E+00 Diamond 0.6967560E+00 Metallicity 0.3964164E+01 Ellipticity 0.2122126E-02 Gb(Abramov) 0.1544410E+00 Vb(Abramov) -0.1925300E+00 Hb(Abramov) -0.3808905E-01 Ex_ueg -0.4078959E-01 Ec_ueg -0.6176106E-02 Delta_ex -0.4704530E-01 Delta_ec 0.1310185E-01 Delta_et -0.1675943E+00 Pxc 0.6604419E+01 Qxc -0.3590737E+01 3,-1 144 3 -1 2.694926 -1.638186 2.031019 Rho 0.1272145E+00 |GRAD(Rho)| 0.6099271E-16 GRAD(Rho)x -0.4668846E-16 GRAD(Rho)y 0.4634964E-17 GRAD(Rho)z 0.3897199E-16 Laplacian 0.5169384E+00 (-1/4)Del**2(Rho)) -0.1292346E+00 Diamond 0.8828336E+00 Metallicity 0.4289453E+01 Ellipticity 0.2678969E-01 Gb(Abramov) 0.1785473E+00 Vb(Abramov) -0.2278601E+00 Hb(Abramov) -0.4931276E-01 Ex_ueg -0.4725347E-01 Ec_ueg -0.7001293E-02 Delta_ex -0.5362481E-01 Delta_ec 0.1416919E-01 Delta_et -0.1848685E+00 Pxc 0.6749250E+01 Qxc -0.3784607E+01 3,-1 145 3 -1 3.152021 -0.801371 0.895708 Rho 0.1247987E+00 |GRAD(Rho)| 0.2727479E-15 GRAD(Rho)x -0.1198687E-15 GRAD(Rho)y 0.3556522E-16 GRAD(Rho)z 0.2424005E-15 Laplacian 0.5303296E+00 (-1/4)Del**2(Rho)) -0.1325824E+00 Diamond 0.8787216E+00 Metallicity 0.4049649E+01 Ellipticity 0.1623504E-01 Gb(Abramov) 0.1778736E+00 Vb(Abramov) -0.2231649E+00 Hb(Abramov) -0.4529124E-01 Ex_ueg -0.4606084E-01 Ec_ueg -0.6850371E-02 Delta_ex -0.5468261E-01 Delta_ec 0.1445697E-01 Delta_et -0.1877501E+00 Pxc 0.6723845E+01 Qxc -0.3782439E+01 3,-1 146 3 -1 3.005561 0.459035 -1.639729 Rho 0.1191285E+00 |GRAD(Rho)| 0.6352790E-16 GRAD(Rho)x -0.1343182E-16 GRAD(Rho)y 0.6136584E-16 GRAD(Rho)z 0.9466440E-17 Laplacian 0.5021002E+00 (-1/4)Del**2(Rho)) -0.1255250E+00 Diamond 0.7964662E+00 Metallicity 0.3958360E+01 Ellipticity 0.1740420E-01 Gb(Abramov) 0.1664956E+00 Vb(Abramov) -0.2074661E+00 Hb(Abramov) -0.4097054E-01 Ex_ueg -0.4329181E-01 Ec_ueg -0.6497698E-02 Delta_ex -0.5133531E-01 Delta_ec 0.1407159E-01 Delta_et -0.1816198E+00 Pxc 0.6662638E+01 Qxc -0.3648153E+01 3,-1 147 3 -1 3.947147 -0.733866 2.274143 Rho 0.1856327E+00 |GRAD(Rho)| 0.2810203E-13 GRAD(Rho)x -0.2734363E-13 GRAD(Rho)y 0.1899265E-14 GRAD(Rho)z -0.6200200E-14 Laplacian 0.6998359E+00 (-1/4)Del**2(Rho)) -0.1749590E+00 Diamond 0.1839653E+01 Metallicity 0.5948045E+01 Ellipticity 0.2445000E-02 Gb(Abramov) 0.2900833E+00 Vb(Abramov) -0.4052076E+00 Hb(Abramov) -0.1151243E+00 Ex_ueg -0.7820915E-01 Ec_ueg -0.1076235E-01 Delta_ex -0.7931420E-01 Delta_ec 0.1691371E-01 Delta_et -0.2312895E+00 Pxc 0.7266923E+01 Qxc -0.4689344E+01 3,-1 148 3 +1 1.098724 -0.402504 2.526901 Rho 0.2187144E-01 |GRAD(Rho)| 0.9940573E-16 GRAD(Rho)x 0.6625762E-16 GRAD(Rho)y -0.7332807E-16 GRAD(Rho)z -0.1069674E-16 Laplacian 0.7955649E-01 (-1/4)Del**2(Rho)) -0.1988912E-01 Diamond 0.9156171E-02 Metallicity 0.1481608E+01 Ellipticity -0.6642761E+01 Gb(Abramov) 0.1817073E-01 Vb(Abramov) -0.1645233E-01 Hb(Abramov) 0.1718395E-02 Ex_ueg -0.4517397E-02 Ec_ueg -0.9325240E-03 Delta_ex -0.4839975E-02 Delta_ec 0.1465715E-02 Delta_et -0.1248075E-01 Pxc 0.4844268E+01 Qxc -0.3302126E+01 3,+1 149 3 -1 -2.245768 1.640579 1.170926 Rho 0.3171786E+00 |GRAD(Rho)| 0.3943787E-14 GRAD(Rho)x -0.1467224E-14 GRAD(Rho)y 0.2467075E-14 GRAD(Rho)z 0.2704487E-14 Laplacian -0.1566873E+01 (-1/4)Del**2(Rho)) 0.3917182E+00 Diamond 0.5481512E+01 Metallicity -0.6487628E+01 Ellipticity 0.9314925E-03 Gb(Abramov) 0.1624082E+00 Vb(Abramov) -0.7165346E+00 Hb(Abramov) -0.5541264E+00 Ex_ueg -0.1597559E+00 Ec_ueg -0.1993774E-01 Delta_ex 0.1552590E+00 Delta_ec 0.5508303E-01 Delta_et -0.1301301E+01 Pxc 0.8012738E+01 Qxc 0.2818635E+01 3,-1 150 3 -1 -1.043388 0.001729 -0.015247 Rho 0.1907334E+00 |GRAD(Rho)| 0.4802298E-15 GRAD(Rho)x 0.3677614E-15 GRAD(Rho)y -0.1763997E-15 GRAD(Rho)z 0.2534865E-15 Laplacian 0.5075535E+00 (-1/4)Del**2(Rho)) -0.1268884E+00 Diamond 0.1350182E+01 Metallicity 0.8580431E+01 Ellipticity 0.5223646E-02 Gb(Abramov) 0.2660518E+00 Vb(Abramov) -0.4052151E+00 Hb(Abramov) -0.1391634E+00 Ex_ueg -0.8108751E-01 Ec_ueg -0.1110030E-01 Delta_ex -0.5771415E-01 Delta_ec 0.1181453E-01 Delta_et -0.1608221E+00 Pxc 0.7304985E+01 Qxc -0.4885012E+01 3,-1 151 3 -1 0.760019 -3.264573 0.916201 Rho 0.1411294E+00 |GRAD(Rho)| 0.7159890E-13 GRAD(Rho)x 0.5165313E-13 GRAD(Rho)y 0.2339653E-13 GRAD(Rho)z 0.4371452E-13 Laplacian 0.5695157E+00 (-1/4)Del**2(Rho)) -0.1423789E+00 Diamond 0.1070430E+01 Metallicity 0.4628815E+01 Ellipticity 0.1747064E-01 Gb(Abramov) 0.2047603E+00 Vb(Abramov) -0.2671416E+00 Hb(Abramov) -0.6238132E-01 Ex_ueg -0.5426773E-01 Ec_ueg -0.7878108E-02 Delta_ex -0.6023081E-01 Delta_ec 0.1462588E-01 Delta_et -0.1929047E+00 Pxc 0.6888422E+01 Qxc -0.4118099E+01 3,-1 152 3 -1 -0.219966 2.432450 -2.365501 Rho 0.1585068E+00 |GRAD(Rho)| 0.2175866E-13 GRAD(Rho)x -0.3751163E-14 GRAD(Rho)y 0.1810092E-13 GRAD(Rho)z 0.1147715E-13 Laplacian 0.6551572E+00 (-1/4)Del**2(Rho)) -0.1637893E+00 Diamond 0.1396303E+01 Metallicity 0.4882936E+01 Ellipticity 0.1565613E-01 Gb(Abramov) 0.2424883E+00 Vb(Abramov) -0.3211873E+00 Hb(Abramov) -0.7869901E-01 Ex_ueg -0.6335522E-01 Ec_ueg -0.8990280E-02 Delta_ex -0.7111527E-01 Delta_ec 0.1602608E-01 Delta_et -0.2140041E+00 Pxc 0.7047080E+01 Qxc -0.4437472E+01 3,-1 153 3 -1 0.332290 -2.619598 -2.796203 Rho 0.1295072E+00 |GRAD(Rho)| 0.5256301E-13 GRAD(Rho)x -0.4951922E-13 GRAD(Rho)y 0.2419533E-14 GRAD(Rho)z -0.1746032E-13 Laplacian 0.5254910E+00 (-1/4)Del**2(Rho)) -0.1313728E+00 Diamond 0.9098336E+00 Metallicity 0.4347149E+01 Ellipticity 0.3140875E-01 Gb(Abramov) 0.1827647E+00 Vb(Abramov) -0.2341566E+00 Hb(Abramov) -0.5139191E-01 Ex_ueg -0.4839239E-01 Ec_ueg -0.7144892E-02 Delta_ex -0.5465914E-01 Delta_ec 0.1419039E-01 Delta_et -0.1854408E+00 Pxc 0.6773005E+01 Qxc -0.3851843E+01 3,-1 154 3 -1 0.329902 -2.625524 2.774637 Rho 0.1492990E+00 |GRAD(Rho)| 0.6583080E-12 GRAD(Rho)x -0.1166995E-12 GRAD(Rho)y 0.1890565E-12 GRAD(Rho)z 0.6196840E-12 Laplacian 0.5813610E+00 (-1/4)Del**2(Rho)) -0.1453403E+00 Diamond 0.1168751E+01 Metallicity 0.4980378E+01 Ellipticity 0.3913568E-01 Gb(Abramov) 0.2175351E+00 Vb(Abramov) -0.2897299E+00 Hb(Abramov) -0.7219482E-01 Ex_ueg -0.5849621E-01 Ec_ueg -0.8398658E-02 Delta_ex -0.6233313E-01 Delta_ec 0.1471810E-01 Delta_et -0.1956855E+00 Pxc 0.6964948E+01 Qxc -0.4235134E+01 3,-1 155 3 -1 0.738847 -4.038407 -2.272143 Rho 0.1883947E+00 |GRAD(Rho)| 0.2034017E-13 GRAD(Rho)x -0.1983067E-14 GRAD(Rho)y 0.1874629E-13 GRAD(Rho)z 0.7639804E-14 Laplacian 0.7173627E+00 (-1/4)Del**2(Rho)) -0.1793407E+00 Diamond 0.1914664E+01 Metallicity 0.5947330E+01 Ellipticity 0.5515308E-02 Gb(Abramov) 0.2973268E+00 Vb(Abramov) -0.4153130E+00 Hb(Abramov) -0.1179861E+00 Ex_ueg -0.7976454E-01 Ec_ueg -0.1094516E-01 Delta_ex -0.8156907E-01 Delta_ec 0.1720616E-01 Delta_et -0.2354345E+00 Pxc 0.7287652E+01 Qxc -0.4740691E+01 3,-1 156 3 -1 0.636875 -4.039206 2.257727 Rho 0.2091289E+00 |GRAD(Rho)| 0.4738535E-15 GRAD(Rho)x 0.7498613E-16 GRAD(Rho)y -0.4578586E-15 GRAD(Rho)z 0.9633136E-16 Laplacian 0.7697171E+00 (-1/4)Del**2(Rho)) -0.1924293E+00 Diamond 0.2323783E+01 Metallicity 0.6596377E+01 Ellipticity 0.8949563E-02 Gb(Abramov) 0.3398422E+00 Vb(Abramov) -0.4872551E+00 Hb(Abramov) -0.1474129E+00 Ex_ueg -0.9167913E-01 Ec_ueg -0.1233125E-01 Delta_ex -0.8984726E-01 Delta_ec 0.1788491E-01 Delta_et -0.2466968E+00 Pxc 0.7434700E+01 Qxc -0.5023636E+01 3,-1 157 3 -1 1.297928 -0.439568 2.390866 Rho 0.2194414E-01 |GRAD(Rho)| 0.2474871E-16 GRAD(Rho)x 0.2259289E-16 GRAD(Rho)y 0.9404267E-17 GRAD(Rho)z -0.3690489E-17 Laplacian 0.8176128E-01 (-1/4)Del**2(Rho)) -0.2044032E-01 Diamond 0.1047893E-01 Metallicity 0.1449649E+01 Ellipticity 0.1551063E+02 Gb(Abramov) 0.1856543E-01 Vb(Abramov) -0.1669054E-01 Hb(Abramov) 0.1874891E-02 Ex_ueg -0.4537428E-02 Ec_ueg -0.9361223E-03 Delta_ex -0.5111013E-02 Delta_ec 0.1743065E-02 Delta_et -0.1478574E-01 Pxc 0.4847046E+01 Qxc -0.2932199E+01 3,-1 158 3 -1 1.920462 3.134077 -0.722431 Rho 0.8816491E-01 |GRAD(Rho)| 0.4102757E-15 GRAD(Rho)x 0.2802527E-15 GRAD(Rho)y -0.1258047E-15 GRAD(Rho)z 0.2719518E-15 Laplacian 0.3683701E+00 (-1/4)Del**2(Rho)) -0.9209254E-01 Diamond 0.4066816E+00 Metallicity 0.3267044E+01 Ellipticity 0.1172081E-01 Gb(Abramov) 0.1115401E+00 Vb(Abramov) -0.1309876E+00 Hb(Abramov) -0.1944755E-01 Ex_ueg -0.2898096E-01 Ec_ueg -0.4613887E-02 Delta_ex -0.3513654E-01 Delta_ec 0.1103226E-01 Delta_et -0.1339986E+00 Pxc 0.6281245E+01 Qxc -0.3184890E+01 3,-1 159 3 -1 1.924692 3.151833 0.756296 Rho 0.1135866E+00 |GRAD(Rho)| 0.1960346E-15 GRAD(Rho)x -0.1547563E-15 GRAD(Rho)y 0.2090477E-16 GRAD(Rho)z -0.1185033E-15 Laplacian 0.4653411E+00 (-1/4)Del**2(Rho)) -0.1163353E+00 Diamond 0.6890809E+00 Metallicity 0.3945059E+01 Ellipticity 0.1481162E-01 Gb(Abramov) 0.1540484E+00 Vb(Abramov) -0.1917616E+00 Hb(Abramov) -0.3771316E-01 Ex_ueg -0.4062759E-01 Ec_ueg -0.6155185E-02 Delta_ex -0.4693235E-01 Delta_ec 0.1297797E-01 Delta_et -0.1657264E+00 Pxc 0.6600547E+01 Qxc -0.3616308E+01 3,-1 160 3 -1 2.770880 1.943183 -0.702288 Rho 0.1354766E+00 |GRAD(Rho)| 0.3309618E-14 GRAD(Rho)x -0.4062641E-15 GRAD(Rho)y 0.2113462E-14 GRAD(Rho)z 0.2514319E-14 Laplacian 0.5687303E+00 (-1/4)Del**2(Rho)) -0.1421826E+00 Diamond 0.1041301E+01 Metallicity 0.4329925E+01 Ellipticity 0.1399958E-01 Gb(Abramov) 0.1973950E+00 Vb(Abramov) -0.2526075E+00 Hb(Abramov) -0.5521245E-01 Ex_ueg -0.5138905E-01 Ec_ueg -0.7520390E-02 Delta_ex -0.5982150E-01 Delta_ec 0.1523184E-01 Delta_et -0.2006081E+00 Pxc 0.6833295E+01 Qxc -0.3927400E+01 3,-1 161 3 -1 2.803538 1.925997 0.759129 Rho 0.1486870E+00 |GRAD(Rho)| 0.8738231E-09 GRAD(Rho)x 0.2314165E-09 GRAD(Rho)y -0.5888005E-09 GRAD(Rho)z 0.6027664E-09 Laplacian 0.6163233E+00 (-1/4)Del**2(Rho)) -0.1540808E+00 Diamond 0.1256981E+01 Metallicity 0.4665800E+01 Ellipticity 0.1886087E-01 Gb(Abramov) 0.2225389E+00 Vb(Abramov) -0.2909971E+00 Hb(Abramov) -0.6845812E-01 Ex_ueg -0.5817669E-01 Ec_ueg -0.8359515E-02 Delta_ex -0.6625739E-01 Delta_ec 0.1605178E-01 Delta_et -0.2142838E+00 Pxc 0.6959338E+01 Qxc -0.4127730E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 113 129 90 117 153 155 91 82 67 86 101 121 102 127 145 141 144 139 147 92 88 75 135 115 142 124 160 161 158 159 96 119 95 106 111 73 110 104 151 154 130 156 133 146 140 137 143 138 107 152 66 99 120 100 93 55 54 150 48 61 97 94 157 78 49 53 59 63 149 77 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 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 38 47 23 23 28 46 45 47 2.445654 2.021760 2.053525 1.971634 1.978578 1.835742 1.852402 2.429965 2.029514 1.950612 2.086038 1.983609 1.829467 2.590040 1.986493 2.055532 1.985142 1.939442 1.841464 2.417678 2.087436 1.842995 2.148464 2.032932 1.834989 2.452923 1.954874 1.918594 2.128362 2.031708 1.853283 2.447739 1.844405 2.023056 2.081701 2.142625 2.463779 1.826872 1.943353 1.927374 2.021591 1.796009 2.591149 2.003699 1.987793 1.941973 2.028641 1.841596 2.432022 1.895259 2.006116 1.782541 1.891836 1.932607 1.734761 3.473656 3.328638 1.687266 1.817542 1.855912 1.764332 1.733702 2.694139 1.736054 3.272391 3.122046 3.120114 0.997061 0.997766 1.002881 2.447743 2.022150 2.053884 1.971848 1.978831 1.835746 1.852410 2.431879 2.030098 1.950843 2.086247 1.983805 1.829471 2.592142 1.986694 2.055663 1.985346 1.939679 1.841470 2.419893 2.087591 1.843017 2.148700 2.033100 1.834992 2.454929 1.955076 1.918806 2.128606 2.031916 1.853292 2.450129 1.844430 2.023144 2.081889 2.142886 2.465439 1.826997 1.943656 1.927804 2.021978 1.796032 2.593032 2.003853 1.987983 1.942217 2.028812 1.841600 2.433589 1.895675 2.007177 1.782552 1.892165 1.933049 1.734780 3.507461 3.357089 1.687326 1.821509 1.864442 1.764353 1.733724 2.699938 1.737517 3.278047 3.138627 3.157137 0.997125 0.997808 1.002929 29 26 25 27 26 24 23 27 27 26 25 25 25 29 27 26 27 25 25 27 25 25 28 27 25 29 26 27 28 27 23 29 24 25 25 30 29 25 26 27 25 25 29 26 26 26 25 24 29 27 26 24 27 25 22 37 37 23 30 28 24 23 31 25 37 36 37 19 20 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 Ta O Ta Ta Ta Ta Ta 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 2.0533 -1.0575 2.0783 2.0292 1.9518 2.0932 1.9508 -1.0333 -1.0607 2.2472 2.0364 2.3311 -1.0795 -0.9683 -1.0965 -1.0696 -0.9604 -0.9836 -1.0267 -1.0337 -0.8774 -1.0296 -0.9176 -1.0109 -1.0366 -0.9366 -1.0321 -1.0166 -1.0685 -0.9344 -1.0189 -1.0405 -1.0668 -1.0264 -1.0590 2.2307 -0.9647 -1.0669 -1.0735 -1.0724 -1.0322 -1.0503 -1.0251 -1.0490 0.2658 0.2505 0.2575 2.1573 1.9221 2.1506 2.1563 2.1755 2.1405 2.1747 1.9267 1.9220 2.1633 2.1569 2.1422 1.9366 1.9448 1.9300 1.9386 1.9383 1.9250 1.9240 1.9181 1.8625 1.9175 1.8590 1.9209 1.9174 1.8616 1.9189 1.9250 1.9214 1.9421 1.9308 1.9255 1.9205 1.9255 1.9226 0.9079 1.9369 1.9212 1.9207 1.9217 1.9253 1.9250 1.9282 1.9251 0.5855 0.6044 0.5824 6.1047 5.1153 6.1005 6.1099 6.1145 6.0950 6.1162 5.0850 5.1187 6.1318 6.1091 6.1135 5.1116 4.9920 5.1355 5.0990 4.9946 5.0334 5.0816 5.0919 4.9876 5.0895 5.0330 5.0647 5.0969 5.0496 5.0893 5.0702 5.1258 4.9640 5.0612 5.0894 5.1225 5.0755 5.1124 1.3185 5.0011 5.1241 5.1297 5.1275 5.0855 5.1043 5.0749 5.1029 0.1487 0.1451 0.1601 2.6500 0.0201 2.6361 2.6697 2.7245 2.6364 2.7244 0.0216 0.0201 3.4281 2.6627 3.3837 0.0313 0.0316 0.0310 0.0319 0.0274 0.0252 0.0211 0.0237 0.0273 0.0226 0.0256 0.0253 0.0223 0.0254 0.0239 0.0215 0.0213 0.0283 0.0268 0.0257 0.0238 0.0254 0.0240 10.5428 0.0267 0.0215 0.0232 0.0231 0.0214 0.0210 0.0220 0.0211 0.0000 0.0000 0.0000 14.0347 0.0000 14.0345 14.0348 14.0337 14.0349 14.0338 0.0000 0.0000 14.0297 14.0349 14.0296 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 Ta Ta Ta Ta Ta 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 2.351864 -1.205830 2.348964 2.336072 2.321844 2.345610 2.322745 -1.160677 -1.209784 2.467600 2.335150 2.480609 -1.092198 -0.933470 -1.098847 -1.086300 -0.960392 -1.044877 -1.142816 -1.101044 -0.730740 -1.109017 -0.769229 -1.059422 -1.107473 -0.796471 -1.102711 -1.127491 -1.150065 -1.008929 -1.062642 -1.090103 -1.130042 -1.080417 -1.112796 2.286294 -1.055264 -1.146296 -1.127374 -1.126025 -1.166909 -1.187198 -1.146168 -1.185435 0.006370 0.018083 -0.006752 1.866364 -1.188092 1.862483 1.812037 1.852942 1.825441 1.854294 -1.140763 -1.195067 1.925668 1.809719 1.950992 -0.663601 -0.772658 -0.671100 -0.661588 -0.898804 -0.780753 -1.105026 -0.851213 -0.943572 -0.823409 -1.005491 -0.794613 -0.844635 -1.035871 -0.875675 -1.085284 -1.004238 -0.935890 -0.915030 -0.924888 -0.972285 -0.910526 -0.949269 1.768423 -1.010605 -0.999702 -0.950566 -0.971020 -1.139555 -1.175220 -1.102967 -1.174143 0.323465 0.324383 0.296907 2.008468 -1.166366 1.960734 1.953102 1.974437 1.955538 1.980667 -1.100543 -1.173272 2.054626 1.950859 2.044287 -0.779201 -0.773215 -0.788709 -0.767182 -0.924491 -0.877219 -1.118247 -0.942402 -0.944281 -0.939559 -1.000066 -0.903931 -0.950299 -0.997069 -0.963609 -1.102435 -1.048442 -0.909632 -0.948830 -0.980589 -1.018578 -0.931921 -0.991815 1.713745 -0.977269 -1.036130 -1.017204 -1.024861 -1.124024 -1.139371 -1.081904 -1.137184 0.347273 0.350602 0.285511 -46.31316429 -2.11781503 -1.95879722 46.40292247 132.29827914 34.31958546 4.57630122 -20.54778585 -24.14931988 -111.75049328 -286.7035 359.4271 118.3708 -403.5116 -207.8008 -420.2180 Jun21-2024 04:42:31 Nodes: 1 Procs: 1 Jun21-2024 04:42:34 Nodes: 1 Procs: 1 0 Jun21-2024 04:42:36 Nodes: 1 Procs: 1 Jun21-2024 04:42:39 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 04:42:42 Nodes: 1 Procs: 1 Jun21-2024 04:42:45 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 04:42:51 Nodes: 1 Procs: 1 Jun21-2024 04:42:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 04:42:59 Nodes: 1 Procs: 1 Jun21-2024 04:43:09 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 04:43:14 Nodes: 1 Procs: 5 *** (NO TITLE) *** -13 -15.13492717 -15.39879560 -15.42344264 -15.43377911 -15.43683928 -15.43969876 -15.44063574 -15.44168875 -15.44201673 -15.44254640 -15.44270557 -15.44276247 -15.44275698 -15.44274636 -15.44273477 -15.44272708 GEOMETRY CONVERGED