ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:13:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.54 0.04 1.69 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 22:13:42 Nodes: 1 Procs: 1 Jun19-2024 22:13:44 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:13:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.06 2.19 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 22:13:42 Nodes: 1 Procs: 1 Jun19-2024 22:13:44 Nodes: 1 Procs: 1 0 Jun19-2024 22:13:47 Nodes: 1 Procs: 1 Jun19-2024 22:13:49 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:13:52 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 2.61 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 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 22:13:42 Nodes: 1 Procs: 1 Jun19-2024 22:13:44 Nodes: 1 Procs: 1 0 Jun19-2024 22:13:47 Nodes: 1 Procs: 1 Jun19-2024 22:13:49 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:13:52 Nodes: 1 Procs: 1 Jun19-2024 22:13:55 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:13:59 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 1.15 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 22:13:42 Nodes: 1 Procs: 1 Jun19-2024 22:13:44 Nodes: 1 Procs: 1 0 Jun19-2024 22:13:47 Nodes: 1 Procs: 1 Jun19-2024 22:13:49 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:13:52 Nodes: 1 Procs: 1 Jun19-2024 22:13:55 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:13:59 Nodes: 1 Procs: 1 Jun19-2024 22:14:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:14:03 Hydrogen (TZP) c11-5 c11-5 c11-5 c11-5 c11-5 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.06 2.46 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 22:13:42 Nodes: 1 Procs: 1 Jun19-2024 22:13:44 Nodes: 1 Procs: 1 0 Jun19-2024 22:13:47 Nodes: 1 Procs: 1 Jun19-2024 22:13:49 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:13:52 Nodes: 1 Procs: 1 Jun19-2024 22:13:55 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:13:59 Nodes: 1 Procs: 1 Jun19-2024 22:14:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:14:03 Nodes: 1 Procs: 1 Jun19-2024 22:14:05 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:14:11 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2709.5698000000057 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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 22:14:05 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun19-2024 22:13:49 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun19-2024 22:13:55 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun19-2024 22:14:00 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 22:13:44 1 1 Hydrogen TZP 1 1 -16.83540379 0.27848914 0.00100000 F 0.09120347 0.00066667 F 0.27848914 0.09120347 0.28706698 0.01000000 F 0.06739953 0.00666667 F Cartesian 2709.5698000000057 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273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -5.289 -5.240 -5.196 -5.145 -5.097 -5.075 -5.036 -4.923 -4.885 -4.881 -1.818 -1.696 -1.565 -1.448 -1.357 -1.265 -1.233 -1.178 -0.920 -0.872 A A A A A A A A A A A A A A A A A A A A 0.00000000061451 0.00041771857585 0.00031113521094 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 74 74 74 74 74 74 74 33 73 73 73 73 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 0.092300 -2.548345 2.554128 2.492698 -2.605410 0.015993 2.560800 2.580987 -0.122015 -2.629328 -2.495945 -0.097934 -2.592093 -0.136387 -2.673228 -2.570395 0.159867 2.627530 2.546930 -0.110238 2.541344 -0.087376 -0.039692 -0.044872 0.087459 2.540837 -2.606031 -0.134119 2.593401 2.572798 -2.577241 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3.775409 0.253389 -3.902889 3.742543 -0.233344 -3.876736 -3.665502 0.296330 -3.996226 0.358292 -3.633078 -3.763277 -0.275812 3.841441 3.762594 0.183272 3.776690 1.121225 -1.950421 -2.514998 -0.619887 -3.417362 -1.244240 1 3 -3 0.092300 -2.548345 2.554128 Rho 0.4361414E+07 3,-3 2 3 -3 2.492698 -2.605410 0.015993 Rho 0.4361415E+07 3,-3 3 3 -3 2.560800 2.580987 -0.122015 Rho 0.4361415E+07 3,-3 4 3 -3 -2.629328 -2.495945 -0.097934 Rho 0.4361415E+07 3,-3 5 3 -3 -2.592093 -0.136387 -2.673228 Rho 0.4361414E+07 3,-3 6 3 -3 -2.570395 0.159867 2.627530 Rho 0.4361415E+07 3,-3 7 3 -3 2.546930 -0.110238 2.541344 Rho 0.4361415E+07 3,-3 8 3 -3 -0.087376 -0.039692 -0.044872 Rho 0.4276089E+05 3,-3 9 3 -3 0.087459 2.540837 -2.606031 Rho 0.3882646E+07 3,-3 10 3 -3 -0.134119 2.593401 2.572798 Rho 0.3882646E+07 3,-3 11 3 -3 -2.577241 2.549241 0.064026 Rho 0.3882647E+07 3,-3 12 3 -3 2.648533 0.111683 -2.628894 Rho 0.3882647E+07 3,-3 13 3 -3 0.936986 -1.014087 0.944344 Rho 0.3190190E+03 3,-3 14 3 -3 -1.074521 -1.018885 -1.015936 Rho 0.3191059E+03 3,-3 15 3 -3 0.936852 0.938234 -1.005528 Rho 0.3190169E+03 3,-3 16 3 -3 -0.996012 0.969128 1.010885 Rho 0.3189856E+03 3,-3 17 3 -3 -3.016748 -1.146325 1.196781 Rho 0.3188633E+03 3,-3 18 3 -3 3.090956 -1.221389 -1.101473 Rho 0.3188590E+03 3,-3 19 3 -3 -3.018629 1.067924 -1.098451 Rho 0.3188584E+03 3,-3 20 3 -3 3.035441 1.140998 1.184013 Rho 0.3188563E+03 3,-3 21 3 -3 1.448168 -1.345100 -3.229994 Rho 0.3186305E+03 3,-3 22 3 -3 1.167193 1.098351 3.034274 Rho 0.3188688E+03 3,-3 23 3 -3 -1.257263 1.157103 -3.124749 Rho 0.3188046E+03 3,-3 24 3 -3 -1.157057 -1.143473 3.037843 Rho 0.3188621E+03 3,-3 25 3 -3 -1.179090 3.099536 -1.197245 Rho 0.3188113E+03 3,-3 26 3 -3 -1.182037 -2.984216 1.197511 Rho 0.3188674E+03 3,-3 27 3 -3 1.213257 3.027721 1.160547 Rho 0.3188414E+03 3,-3 28 3 -3 1.191213 -3.149271 -1.113023 Rho 0.3191275E+03 3,-3 29 3 -3 3.359341 -1.543580 1.572894 Rho 0.3189479E+03 3,-3 30 3 -3 -3.499242 -1.586394 -1.500076 Rho 0.3189364E+03 3,-3 31 3 -3 3.485554 1.522548 -1.414669 Rho 0.3189040E+03 3,-3 32 3 -3 -3.487485 1.465256 1.642265 Rho 0.3189458E+03 3,-3 33 3 -3 1.472463 -1.519823 3.454321 Rho 0.3189179E+03 3,-3 34 3 -3 1.575479 1.498029 -3.494047 Rho 0.3188520E+03 3,-3 35 3 -3 -1.558020 1.476976 3.544426 Rho 0.3189090E+03 3,-3 36 3 -3 -1.925146 -1.438344 -3.688742 Rho 0.3191982E+03 3,-3 37 3 -3 -1.587178 -3.665495 -1.281105 Rho 0.3186972E+03 3,-3 38 3 -3 -1.565848 3.468856 1.582058 Rho 0.3188661E+03 3,-3 39 3 -3 1.483500 -3.438340 1.574006 Rho 0.3189256E+03 3,-3 40 3 -3 1.590453 3.442402 -1.500233 Rho 0.3189072E+03 3,-3 41 3 -3 -0.251809 -3.755951 3.782136 Rho 0.3192290E+03 3,-3 42 3 -3 4.018699 -0.091626 -3.776152 Rho 0.3190875E+03 3,-3 43 3 -3 -0.176773 3.807824 -3.855127 Rho 0.3190940E+03 3,-3 44 3 -3 0.244667 3.805071 3.849588 Rho 0.3190907E+03 3,-3 45 3 -3 3.754366 -3.829174 -0.155882 Rho 0.3191868E+03 3,-3 46 3 -3 3.792196 3.775409 0.253389 Rho 0.3192219E+03 3,-3 47 3 -3 -3.902889 3.742543 -0.233344 Rho 0.3190653E+03 3,-3 48 3 -3 -3.876736 -3.665502 0.296330 Rho 0.3192398E+03 3,-3 49 3 -3 -3.996226 0.358292 -3.633078 Rho 0.3191672E+03 3,-3 50 3 -3 -3.763277 -0.275812 3.841441 Rho 0.3192242E+03 3,-3 51 3 -3 3.762594 0.183272 3.776690 Rho 0.3192169E+03 3,-3 52 3 -3 1.121225 -1.950421 -2.514998 Rho 0.4476257E+00 3,-3 53 3 -3 -0.619887 -3.417362 -1.244240 Rho 0.4389414E+00 3,-3 54 3 +1 -2.228184 1.432137 1.066907 Rho 0.2467953E-01 |GRAD(Rho)| 0.9198278E-14 GRAD(Rho)x -0.7772164E-14 GRAD(Rho)y -0.9182200E-15 GRAD(Rho)z 0.4833079E-14 Laplacian 0.9302381E-01 (-1/4)Del**2(Rho)) -0.2325595E-01 Diamond 0.9898343E-02 Metallicity 0.1549698E+01 Ellipticity -0.2171833E+01 Gb(Abramov) 0.2151059E-01 Vb(Abramov) -0.1976522E-01 Hb(Abramov) 0.1745365E-02 Ex_ueg -0.5306818E-02 Ec_ueg -0.1072592E-02 Delta_ex -0.5538740E-02 Delta_ec 0.1173357E-02 Delta_et -0.1042241E-01 Pxc 0.4947656E+01 Qxc -0.4720421E+01 3,+1 55 3 -1 -1.749614 0.551448 1.782152 Rho 0.4669874E-01 |GRAD(Rho)| 0.1636987E-14 GRAD(Rho)x -0.4913892E-15 GRAD(Rho)y -0.1211716E-14 GRAD(Rho)z -0.9848897E-15 Laplacian 0.1862783E+00 (-1/4)Del**2(Rho)) -0.4656959E-01 Diamond 0.8504782E-01 Metallicity 0.2240231E+01 Ellipticity 0.2059621E-01 Gb(Abramov) 0.4843416E-01 Vb(Abramov) -0.5029874E-01 Hb(Abramov) -0.1864576E-02 Ex_ueg -0.1242011E-01 Ec_ueg -0.2233222E-02 Delta_ex -0.1502464E-01 Delta_ec 0.5468203E-02 Delta_et -0.5661708E-01 Pxc 0.5561520E+01 Qxc -0.2747638E+01 3,-1 56 3 -1 -3.349857 0.129555 -3.190336 Rho 0.2232122E+00 |GRAD(Rho)| 0.5849034E-12 GRAD(Rho)x 0.4618104E-12 GRAD(Rho)y -0.1598952E-12 GRAD(Rho)z 0.3213667E-12 Laplacian 0.8197517E+00 (-1/4)Del**2(Rho)) -0.2049379E+00 Diamond 0.2666961E+01 Metallicity 0.6904420E+01 Ellipticity 0.2144329E-01 Gb(Abramov) 0.3724549E+00 Vb(Abramov) -0.5399718E+00 Hb(Abramov) -0.1675170E+00 Ex_ueg -0.1000020E+00 Ec_ueg -0.1328634E-01 Delta_ex -0.9725067E-01 Delta_ec 0.1860050E-01 Delta_et -0.2572571E+00 Pxc 0.7526679E+01 Qxc -0.5228390E+01 3,-1 57 3 +1 -1.681745 0.524881 -0.495104 Rho 0.1021245E-01 |GRAD(Rho)| 0.3610174E-13 GRAD(Rho)x 0.3186617E-13 GRAD(Rho)y 0.6348654E-14 GRAD(Rho)z 0.1573459E-13 Laplacian 0.3786515E-01 (-1/4)Del**2(Rho)) -0.9466289E-02 Diamond 0.1280874E-02 Metallicity 0.8748293E+00 Ellipticity -0.1597518E+01 Gb(Abramov) 0.7691090E-02 Vb(Abramov) -0.5915892E-02 Hb(Abramov) 0.1775198E-02 Ex_ueg -0.1636408E-02 Ec_ueg -0.3776913E-03 Delta_ex -0.1807264E-02 Delta_ec 0.5326742E-03 Delta_et -0.3804410E-02 Pxc 0.4332660E+01 Qxc -0.3392813E+01 3,+1 58 3 +1 -0.317183 -1.246452 -2.733419 Rho 0.2980844E-02 |GRAD(Rho)| 0.4475591E-15 GRAD(Rho)x -0.4352166E-15 GRAD(Rho)y -0.3465322E-16 GRAD(Rho)z -0.9846229E-16 Laplacian 0.1129694E-01 (-1/4)Del**2(Rho)) -0.2824236E-02 Diamond 0.9596788E-04 Metallicity 0.3766035E+00 Ellipticity -0.1361898E+01 Gb(Abramov) 0.2060094E-02 Vb(Abramov) -0.1295951E-02 Hb(Abramov) 0.7641425E-03 Ex_ueg -0.3168381E-03 Ec_ueg -0.6108279E-04 Delta_ex -0.4444382E-03 Delta_ec 0.2380730E-03 Delta_et -0.1154835E-02 Pxc 0.5187028E+01 Qxc -0.1866815E+01 3,+1 59 3 +1 -0.550817 -0.550102 1.673273 Rho 0.8626044E-02 |GRAD(Rho)| 0.8636436E-17 GRAD(Rho)x 0.4662222E-18 GRAD(Rho)y -0.5972987E-17 GRAD(Rho)z 0.6220458E-17 Laplacian 0.3394975E-01 (-1/4)Del**2(Rho)) -0.8487438E-02 Diamond 0.8990356E-03 Metallicity 0.7364264E+00 Ellipticity -0.1419376E+01 Gb(Abramov) 0.6700021E-02 Vb(Abramov) -0.4912603E-02 Hb(Abramov) 0.1787417E-02 Ex_ueg -0.1306574E-02 Ec_ueg -0.3061455E-03 Delta_ex -0.1546196E-02 Delta_ec 0.4671077E-03 Delta_et -0.3203764E-02 Pxc 0.4267819E+01 Qxc -0.3310150E+01 3,+1 60 3 -1 -1.800902 -0.560339 -1.803302 Rho 0.4430879E-01 |GRAD(Rho)| 0.4445603E-16 GRAD(Rho)x 0.3347898E-17 GRAD(Rho)y 0.3658102E-16 GRAD(Rho)z 0.2503914E-16 Laplacian 0.1734762E+00 (-1/4)Del**2(Rho)) -0.4336905E-01 Diamond 0.7549219E-01 Metallicity 0.2203890E+01 Ellipticity 0.2069466E-01 Gb(Abramov) 0.4484280E-01 Vb(Abramov) -0.4631655E-01 Hb(Abramov) -0.1473749E-02 Ex_ueg -0.1157990E-01 Ec_ueg -0.2102788E-02 Delta_ex -0.1389749E-01 Delta_ec 0.5252551E-02 Delta_et -0.5366589E-01 Pxc 0.5506929E+01 Qxc -0.2645856E+01 3,-1 61 3 -1 -1.812555 -1.717339 -0.539509 Rho 0.5464805E-01 |GRAD(Rho)| 0.1231412E-12 GRAD(Rho)x 0.1953428E-13 GRAD(Rho)y -0.7682598E-13 GRAD(Rho)z 0.9423344E-13 Laplacian 0.2152839E+00 (-1/4)Del**2(Rho)) -0.5382096E-01 Diamond 0.1229067E+00 Metallicity 0.2518988E+01 Ellipticity 0.2167285E-01 Gb(Abramov) 0.5847637E-01 Vb(Abramov) -0.6313178E-01 Hb(Abramov) -0.4655408E-02 Ex_ueg -0.1531621E-01 Ec_ueg -0.2673367E-02 Delta_ex -0.1811359E-01 Delta_ec 0.6393575E-02 Delta_et -0.6898443E-01 Pxc 0.5729183E+01 Qxc -0.2833092E+01 3,-1 62 3 +1 -0.613277 -1.658124 0.529066 Rho 0.9182839E-02 |GRAD(Rho)| 0.4083080E-14 GRAD(Rho)x -0.2558134E-14 GRAD(Rho)y -0.3158436E-14 GRAD(Rho)z 0.3895829E-15 Laplacian 0.3520242E-01 (-1/4)Del**2(Rho)) -0.8800605E-02 Diamond 0.1025634E-02 Metallicity 0.7882590E+00 Ellipticity -0.1489046E+01 Gb(Abramov) 0.7023262E-02 Vb(Abramov) -0.5245920E-02 Hb(Abramov) 0.1777342E-02 Ex_ueg -0.1420216E-02 Ec_ueg -0.3311328E-03 Delta_ex -0.1633309E-02 Delta_ec 0.4920094E-03 Delta_et -0.3422579E-02 Pxc 0.4288962E+01 Qxc -0.3319670E+01 3,+1 63 3 -1 -3.302202 -3.127527 0.113326 Rho 0.2324607E+00 |GRAD(Rho)| 0.5522670E-15 GRAD(Rho)x -0.5280607E-15 GRAD(Rho)y -0.1407294E-15 GRAD(Rho)z 0.7966175E-16 Laplacian 0.8735319E+00 (-1/4)Del**2(Rho)) -0.2183830E+00 Diamond 0.2961904E+01 Metallicity 0.6932931E+01 Ellipticity 0.1935919E-02 Gb(Abramov) 0.3979277E+00 Vb(Abramov) -0.5774724E+00 Hb(Abramov) -0.1795447E+00 Ex_ueg -0.1055645E+00 Ec_ueg -0.1391950E-01 Delta_ex -0.1046041E+00 Delta_ec 0.1936900E-01 Delta_et -0.2674997E+00 Pxc 0.7583927E+01 Qxc -0.5400596E+01 3,-1 64 3 +1 -1.775180 -1.732844 1.795853 Rho 0.1258953E-01 |GRAD(Rho)| 0.1311130E-16 GRAD(Rho)x -0.3255852E-17 GRAD(Rho)y -0.6258390E-17 GRAD(Rho)z -0.1105162E-16 Laplacian 0.6311311E-01 (-1/4)Del**2(Rho)) -0.1577828E-01 Diamond 0.2647233E-02 Metallicity 0.7438913E+00 Ellipticity -0.1248636E+01 Gb(Abramov) 0.1247507E-01 Vb(Abramov) -0.9171867E-02 Hb(Abramov) 0.3303205E-02 Ex_ueg -0.2163039E-02 Ec_ueg -0.4868517E-03 Delta_ex -0.3127297E-02 Delta_ec 0.7932136E-03 Delta_et -0.6037244E-02 Pxc 0.4442912E+01 Qxc -0.3942567E+01 3,+1 65 3 +3 -1.105376 1.140326 -1.207627 Rho 0.5144455E-02 |GRAD(Rho)| 0.7192621E-17 GRAD(Rho)x 0.3643296E-17 GRAD(Rho)y -0.4028808E-17 GRAD(Rho)z 0.4714754E-17 Laplacian 0.1864821E-01 (-1/4)Del**2(Rho)) -0.4662053E-02 Diamond 0.1266349E-03 Metallicity 0.5665108E+00 Ellipticity -0.2839376E+00 Gb(Abramov) 0.3548219E-02 Vb(Abramov) -0.2434385E-02 Hb(Abramov) 0.1113834E-02 Ex_ueg -0.6558998E-03 Ec_ueg -0.1531346E-03 Delta_ex -0.6415581E-03 Delta_ec 0.6814193E-04 Delta_et -0.5824283E-03 Pxc 0.4283160E+01 Qxc -0.9415028E+01 3,+3 66 3 -1 -3.076371 -2.000160 -0.849585 Rho 0.1658837E+00 |GRAD(Rho)| 0.1778601E-13 GRAD(Rho)x -0.1556063E-13 GRAD(Rho)y -0.8211110E-14 GRAD(Rho)z 0.2605067E-14 Laplacian 0.6514282E+00 (-1/4)Del**2(Rho)) -0.1628570E+00 Diamond 0.1483748E+01 Metallicity 0.5297683E+01 Ellipticity 0.8622535E-01 Gb(Abramov) 0.2523655E+00 Vb(Abramov) -0.3418740E+00 Hb(Abramov) -0.8950849E-01 Ex_ueg -0.6731676E-01 Ec_ueg -0.9467933E-02 Delta_ex -0.7166926E-01 Delta_ec 0.1602068E-01 Delta_et -0.2158316E+00 Pxc 0.7109974E+01 Qxc -0.4473547E+01 3,-1 67 3 +1 -1.699143 -0.531378 0.575861 Rho 0.9232001E-02 |GRAD(Rho)| 0.9499867E-17 GRAD(Rho)x -0.7936818E-17 GRAD(Rho)y 0.7234853E-19 GRAD(Rho)z -0.5220072E-17 Laplacian 0.3540765E-01 (-1/4)Del**2(Rho)) -0.8851912E-02 Diamond 0.1067672E-02 Metallicity 0.7906953E+00 Ellipticity -0.1526809E+01 Gb(Abramov) 0.7067802E-02 Vb(Abramov) -0.5283692E-02 Hb(Abramov) 0.1784110E-02 Ex_ueg -0.1430363E-02 Ec_ueg -0.3333455E-03 Delta_ex -0.1656759E-02 Delta_ec 0.5157486E-03 Delta_et -0.3575932E-02 Pxc 0.4290931E+01 Qxc -0.3212339E+01 3,+1 68 3 +1 0.096969 -3.010219 0.139721 Rho 0.5327485E-02 |GRAD(Rho)| 0.8813928E-17 GRAD(Rho)x 0.2850878E-17 GRAD(Rho)y -0.1891219E-17 GRAD(Rho)z 0.8122876E-17 Laplacian 0.2136225E-01 (-1/4)Del**2(Rho)) -0.5340563E-02 Diamond 0.5250111E-03 Metallicity 0.5242075E+00 Ellipticity -0.3044942E+01 Gb(Abramov) 0.4026969E-02 Vb(Abramov) -0.2713375E-02 Hb(Abramov) 0.1313594E-02 Ex_ueg -0.6871973E-03 Ec_ueg -0.1610329E-03 Delta_ex -0.1060306E-02 Delta_ec 0.6459953E-03 Delta_et -0.3586442E-02 Pxc 0.4267433E+01 Qxc -0.1641353E+01 3,+1 69 3 -1 -3.054315 -0.895327 -2.044150 Rho 0.1029766E+00 |GRAD(Rho)| 0.1587374E-13 GRAD(Rho)x 0.1344432E-13 GRAD(Rho)y -0.2121018E-14 GRAD(Rho)z 0.8168677E-14 Laplacian 0.3961037E+00 (-1/4)Del**2(Rho)) -0.9902591E-01 Diamond 0.5163195E+00 Metallicity 0.3935823E+01 Ellipticity 0.1548978E-01 Gb(Abramov) 0.1309754E+00 Vb(Abramov) -0.1629248E+00 Hb(Abramov) -0.3194944E-01 Ex_ueg -0.3564813E-01 Ec_ueg -0.5505717E-02 Delta_ex -0.3896409E-01 Delta_ec 0.1114814E-01 Delta_et -0.1395079E+00 Pxc 0.6474748E+01 Qxc -0.3495119E+01 3,-1 70 3 -1 -3.288965 3.189497 -0.094702 Rho 0.2026828E+00 |GRAD(Rho)| 0.1720318E-15 GRAD(Rho)x -0.1460962E-15 GRAD(Rho)y 0.3241764E-16 GRAD(Rho)z -0.8485237E-16 Laplacian 0.7657633E+00 (-1/4)Del**2(Rho)) -0.1914408E+00 Diamond 0.2212092E+01 Metallicity 0.6293322E+01 Ellipticity 0.4196284E-02 Gb(Abramov) 0.3284270E+00 Vb(Abramov) -0.4654132E+00 Hb(Abramov) -0.1369862E+00 Ex_ueg -0.8793076E-01 Ec_ueg -0.1189775E-01 Delta_ex -0.8857635E-01 Delta_ec 0.1777648E-01 Delta_et -0.2440166E+00 Pxc 0.7390538E+01 Qxc -0.4982783E+01 3,-1 71 3 +3 1.881915 -1.941383 1.938022 Rho 0.1239059E-01 |GRAD(Rho)| 0.2838980E-13 GRAD(Rho)x 0.2093725E-13 GRAD(Rho)y 0.1293734E-13 GRAD(Rho)z 0.1415054E-13 Laplacian 0.5821070E-01 (-1/4)Del**2(Rho)) -0.1455268E-01 Diamond 0.1484573E-02 Metallicity 0.7854105E+00 Ellipticity -0.7976298E+00 Gb(Abramov) 0.1160675E-01 Vb(Abramov) -0.8660833E-02 Hb(Abramov) 0.2945921E-02 Ex_ueg -0.2117585E-02 Ec_ueg -0.4776297E-03 Delta_ex -0.2621820E-02 Delta_ec 0.2845816E-03 Delta_et -0.2506299E-02 Pxc 0.4433529E+01 Qxc -0.9212894E+01 3,+3 72 3 +1 -2.950866 -0.300317 -0.217475 Rho 0.6241544E-02 |GRAD(Rho)| 0.6720884E-15 GRAD(Rho)x -0.8890086E-16 GRAD(Rho)y -0.5484576E-15 GRAD(Rho)z -0.3781451E-15 Laplacian 0.2568740E-01 (-1/4)Del**2(Rho)) -0.6421850E-02 Diamond 0.6348859E-03 Metallicity 0.5676053E+00 Ellipticity -0.1749271E+01 Gb(Abramov) 0.4888746E-02 Vb(Abramov) -0.3355642E-02 Hb(Abramov) 0.1533104E-02 Ex_ueg -0.8487396E-03 Ec_ueg -0.2007266E-03 Delta_ex -0.1214838E-02 Delta_ec 0.5962237E-03 Delta_et -0.3543793E-02 Pxc 0.4228335E+01 Qxc -0.2037555E+01 3,+1 73 3 -1 -2.960541 -0.049445 0.044337 Rho 0.6445496E-02 |GRAD(Rho)| 0.2884328E-16 GRAD(Rho)x 0.1328569E-16 GRAD(Rho)y -0.2517701E-16 GRAD(Rho)z 0.4641469E-17 Laplacian 0.2508381E-01 (-1/4)Del**2(Rho)) -0.6270953E-02 Diamond 0.9484917E-03 Metallicity 0.6132632E+00 Ellipticity 0.9940415E+00 Gb(Abramov) 0.4821593E-02 Vb(Abramov) -0.3372232E-02 Hb(Abramov) 0.1449360E-02 Ex_ueg -0.8859180E-03 Ec_ueg -0.2096391E-03 Delta_ex -0.1393922E-02 Delta_ec 0.9379230E-03 Delta_et -0.5438599E-02 Pxc 0.4225919E+01 Qxc -0.1486180E+01 3,-1 74 3 -1 -2.790449 -0.533807 1.867107 Rho 0.1242281E+00 |GRAD(Rho)| 0.1085503E-15 GRAD(Rho)x 0.4307332E-16 GRAD(Rho)y 0.8649223E-16 GRAD(Rho)z 0.4946672E-16 Laplacian 0.5192263E+00 (-1/4)Del**2(Rho)) -0.1298066E+00 Diamond 0.8431323E+00 Metallicity 0.4104779E+01 Ellipticity 0.7886579E-02 Gb(Abramov) 0.1753423E+00 Vb(Abramov) -0.2208780E+00 Hb(Abramov) -0.4553570E-01 Ex_ueg -0.4578027E-01 Ec_ueg -0.6814784E-02 Delta_ex -0.5331967E-01 Delta_ec 0.1388435E-01 Delta_et -0.1796877E+00 Pxc 0.6717788E+01 Qxc -0.3840271E+01 3,-1 75 3 +1 -2.963094 0.232652 0.327237 Rho 0.6177410E-02 |GRAD(Rho)| 0.1361512E-15 GRAD(Rho)x -0.2972081E-16 GRAD(Rho)y -0.1147605E-15 GRAD(Rho)z 0.6696158E-16 Laplacian 0.2524285E-01 (-1/4)Del**2(Rho)) -0.6310712E-02 Diamond 0.6036771E-03 Metallicity 0.5677435E+00 Ellipticity -0.1706388E+01 Gb(Abramov) 0.4804286E-02 Vb(Abramov) -0.3297859E-02 Hb(Abramov) 0.1506426E-02 Ex_ueg -0.8371314E-03 Ec_ueg -0.1979282E-03 Delta_ex -0.1183006E-02 Delta_ec 0.5714194E-03 Delta_et -0.3393995E-02 Pxc 0.4229470E+01 Qxc -0.2070293E+01 3,+1 76 3 -1 -3.214123 -0.074556 3.282561 Rho 0.2315422E+00 |GRAD(Rho)| 0.8052701E-13 GRAD(Rho)x 0.5357618E-13 GRAD(Rho)y 0.1778981E-13 GRAD(Rho)z -0.5742574E-13 Laplacian 0.8551314E+00 (-1/4)Del**2(Rho)) -0.2137829E+00 Diamond 0.2892714E+01 Metallicity 0.7035538E+01 Ellipticity 0.2898903E-02 Gb(Abramov) 0.3932015E+00 Vb(Abramov) -0.5726201E+00 Hb(Abramov) -0.1794186E+00 Ex_ueg -0.1050087E+00 Ec_ueg -0.1385641E-01 Delta_ex -0.1023342E+00 Delta_ec 0.1905257E-01 Delta_et -0.2633825E+00 Pxc 0.7578348E+01 Qxc -0.5371147E+01 3,-1 77 3 -1 -0.245612 -1.376667 -3.429845 Rho 0.3858428E-02 |GRAD(Rho)| 0.7452446E-17 GRAD(Rho)x 0.7412488E-17 GRAD(Rho)y 0.4301666E-18 GRAD(Rho)z 0.6394664E-18 Laplacian 0.1351808E-01 (-1/4)Del**2(Rho)) -0.3379520E-02 Diamond 0.3308211E-03 Metallicity 0.4838553E+00 Ellipticity 0.7736066E-01 Gb(Abramov) 0.2525547E-02 Vb(Abramov) -0.1671573E-02 Hb(Abramov) 0.8539737E-03 Ex_ueg -0.4469569E-03 Ec_ueg -0.9812202E-04 Delta_ex -0.7819772E-03 Delta_ec 0.6792373E-03 Delta_et -0.3307265E-02 Pxc 0.4555113E+01 Qxc -0.1151258E+01 3,-1 78 3 -1 -2.807134 0.498868 -1.833988 Rho 0.1137482E+00 |GRAD(Rho)| 0.9552764E-10 GRAD(Rho)x 0.1899704E-10 GRAD(Rho)y -0.5638491E-10 GRAD(Rho)z -0.7473542E-10 Laplacian 0.4830061E+00 (-1/4)Del**2(Rho)) -0.1207515E+00 Diamond 0.6953993E+00 Metallicity 0.3809796E+01 Ellipticity 0.5751398E-02 Gb(Abramov) 0.1571741E+00 Vb(Abramov) -0.1935967E+00 Hb(Abramov) -0.3642260E-01 Ex_ueg -0.4070471E-01 Ec_ueg -0.6165145E-02 Delta_ex -0.4842682E-01 Delta_ec 0.1292452E-01 Delta_et -0.1642915E+00 Pxc 0.6602392E+01 Qxc -0.3746896E+01 3,-1 79 3 +1 0.503178 0.483799 1.680251 Rho 0.8118673E-02 |GRAD(Rho)| 0.1490790E-15 GRAD(Rho)x -0.6140570E-16 GRAD(Rho)y -0.7426534E-16 GRAD(Rho)z -0.1137478E-15 Laplacian 0.3175678E-01 (-1/4)Del**2(Rho)) -0.7939194E-02 Diamond 0.7756690E-03 Metallicity 0.7116261E+00 Ellipticity -0.1406343E+01 Gb(Abramov) 0.6234419E-02 Vb(Abramov) -0.4529644E-02 Hb(Abramov) 0.1704775E-02 Ex_ueg -0.1205124E-02 Ec_ueg -0.2834960E-03 Delta_ex -0.1424939E-02 Delta_ec 0.4381392E-03 Delta_et -0.2957771E-02 Pxc 0.4250940E+01 Qxc -0.3252253E+01 3,+1 80 3 -1 -3.047084 0.857194 2.089429 Rho 0.1706959E+00 |GRAD(Rho)| 0.2460878E-15 GRAD(Rho)x -0.1976094E-15 GRAD(Rho)y 0.1268788E-15 GRAD(Rho)z 0.7356312E-16 Laplacian 0.6642001E+00 (-1/4)Del**2(Rho)) -0.1660500E+00 Diamond 0.1562904E+01 Metallicity 0.5449450E+01 Ellipticity 0.4875243E-01 Gb(Abramov) 0.2615136E+00 Vb(Abramov) -0.3569771E+00 Hb(Abramov) -0.9546355E-01 Ex_ueg -0.6993305E-01 Ec_ueg -0.9781259E-02 Delta_ex -0.7357489E-01 Delta_ec 0.1617286E-01 Delta_et -0.2184933E+00 Pxc 0.7149698E+01 Qxc -0.4549283E+01 3,-1 81 3 -1 -2.801983 1.757219 -0.554813 Rho 0.1420747E+00 |GRAD(Rho)| 0.3706053E-13 GRAD(Rho)x 0.8314882E-14 GRAD(Rho)y 0.2798535E-13 GRAD(Rho)z 0.2282907E-13 Laplacian 0.5995101E+00 (-1/4)Del**2(Rho)) -0.1498775E+00 Diamond 0.1154686E+01 Metallicity 0.4446430E+01 Ellipticity 0.1783959E-01 Gb(Abramov) 0.2109883E+00 Vb(Abramov) -0.2720991E+00 Hb(Abramov) -0.6111080E-01 Ex_ueg -0.5475295E-01 Ec_ueg -0.7938129E-02 Delta_ex -0.6370775E-01 Delta_ec 0.1573064E-01 Delta_et -0.2084492E+00 Pxc 0.6897463E+01 Qxc -0.4049914E+01 3,-1 82 3 +1 -1.786582 1.759621 -1.790650 Rho 0.1103554E-01 |GRAD(Rho)| 0.4787465E-17 GRAD(Rho)x 0.1827185E-17 GRAD(Rho)y -0.1925317E-17 GRAD(Rho)z -0.3984265E-17 Laplacian 0.4993450E-01 (-1/4)Del**2(Rho)) -0.1248363E-01 Diamond 0.1663676E-02 Metallicity 0.7548630E+00 Ellipticity -0.1253823E+01 Gb(Abramov) 0.9892988E-02 Vb(Abramov) -0.7302351E-02 Hb(Abramov) 0.2590637E-02 Ex_ueg -0.1814581E-02 Ec_ueg -0.4152310E-03 Delta_ex -0.2362202E-02 Delta_ec 0.5788347E-03 Delta_et -0.4307443E-02 Pxc 0.4370051E+01 Qxc -0.4080961E+01 3,+1 83 3 +1 1.664531 0.516398 0.514623 Rho 0.7483630E-02 |GRAD(Rho)| 0.8909062E-17 GRAD(Rho)x 0.4927085E-17 GRAD(Rho)y 0.5951762E-17 GRAD(Rho)z 0.4435285E-17 Laplacian 0.2912762E-01 (-1/4)Del**2(Rho)) -0.7281905E-02 Diamond 0.6518031E-03 Metallicity 0.6773742E+00 Ellipticity -0.1404263E+01 Gb(Abramov) 0.5676699E-02 Vb(Abramov) -0.4071493E-02 Hb(Abramov) 0.1605206E-02 Ex_ueg -0.1081106E-02 Ec_ueg -0.2553109E-03 Delta_ex -0.1288592E-02 Delta_ec 0.4164113E-03 Delta_et -0.2740232E-02 Pxc 0.4234467E+01 Qxc -0.3094516E+01 3,+1 84 3 +3 -2.312056 -0.012469 0.083601 Rho 0.5280507E-02 |GRAD(Rho)| 0.2876200E-17 GRAD(Rho)x 0.2650386E-17 GRAD(Rho)y -0.1096734E-17 GRAD(Rho)z 0.2125037E-18 Laplacian 0.2158302E-01 (-1/4)Del**2(Rho)) -0.5395754E-02 Diamond 0.2123760E-03 Metallicity 0.5112427E+00 Ellipticity -0.4178531E+00 Gb(Abramov) 0.4056926E-02 Vb(Abramov) -0.2718098E-02 Hb(Abramov) 0.1338828E-02 Ex_ueg -0.6791295E-03 Ec_ueg -0.1590041E-03 Delta_ex -0.8002078E-03 Delta_ec 0.1720663E-03 Delta_et -0.1153796E-02 Pxc 0.4271145E+01 Qxc -0.4650579E+01 3,+3 85 3 -1 -2.230626 -0.840388 -3.215146 Rho 0.2171565E+00 |GRAD(Rho)| 0.8975598E-12 GRAD(Rho)x -0.3581286E-12 GRAD(Rho)y 0.6759478E-12 GRAD(Rho)z 0.4695232E-12 Laplacian 0.8606712E+00 (-1/4)Del**2(Rho)) -0.2151678E+00 Diamond 0.2651081E+01 Metallicity 0.6281510E+01 Ellipticity 0.1661757E-01 Gb(Abramov) 0.3687083E+00 Vb(Abramov) -0.5222488E+00 Hb(Abramov) -0.1535405E+00 Ex_ueg -0.9640116E-01 Ec_ueg -0.1287432E-01 Delta_ex -0.1010301E+00 Delta_ec 0.1905361E-01 Delta_et -0.2606731E+00 Pxc 0.7487863E+01 Qxc -0.5302411E+01 3,-1 86 3 +3 0.004212 -0.023667 2.288575 Rho 0.4739557E-02 |GRAD(Rho)| 0.9914440E-11 GRAD(Rho)x -0.6433083E-11 GRAD(Rho)y -0.6258887E-11 GRAD(Rho)z -0.4211638E-11 Laplacian 0.1938937E-01 (-1/4)Del**2(Rho)) -0.4847343E-02 Diamond 0.1608503E-03 Metallicity 0.4752757E+00 Ellipticity -0.2782403E+00 Gb(Abramov) 0.3615532E-02 Vb(Abramov) -0.2383722E-02 Hb(Abramov) 0.1231810E-02 Ex_ueg -0.5879883E-03 Ec_ueg -0.1357221E-03 Delta_ex -0.6949444E-03 Delta_ec 0.1477457E-03 Delta_et -0.9777404E-03 Pxc 0.4332295E+01 Qxc -0.4703652E+01 3,+3 87 3 +1 -0.604349 1.676435 -0.557812 Rho 0.7960986E-02 |GRAD(Rho)| 0.3530658E-15 GRAD(Rho)x 0.2871966E-15 GRAD(Rho)y -0.1438127E-15 GRAD(Rho)z -0.1465997E-15 Laplacian 0.2896313E-01 (-1/4)Del**2(Rho)) -0.7240782E-02 Diamond 0.6713222E-03 Metallicity 0.7551719E+00 Ellipticity -0.1447268E+01 Gb(Abramov) 0.5738527E-02 Vb(Abramov) -0.4236272E-02 Hb(Abramov) 0.1502255E-02 Ex_ueg -0.1174017E-02 Ec_ueg -0.2764802E-03 Delta_ex -0.1284446E-02 Delta_ec 0.3840236E-03 Delta_et -0.2592612E-02 Pxc 0.4246295E+01 Qxc -0.3344707E+01 3,+1 88 3 +1 -0.226375 0.215509 2.982910 Rho 0.5763706E-02 |GRAD(Rho)| 0.4763192E-13 GRAD(Rho)x 0.4739761E-15 GRAD(Rho)y -0.4712260E-13 GRAD(Rho)z -0.6930764E-14 Laplacian 0.2347014E-01 (-1/4)Del**2(Rho)) -0.5867536E-02 Diamond 0.5588730E-03 Metallicity 0.5440019E+00 Ellipticity -0.1948603E+01 Gb(Abramov) 0.4443682E-02 Vb(Abramov) -0.3019829E-02 Hb(Abramov) 0.1423854E-02 Ex_ueg -0.7632277E-03 Ec_ueg -0.1799248E-03 Delta_ex -0.1120000E-02 Delta_ec 0.5967430E-03 Delta_et -0.3438424E-02 Pxc 0.4241926E+01 Qxc -0.1876855E+01 3,+1 89 3 -1 -1.817312 -0.534227 2.827671 Rho 0.1315677E+00 |GRAD(Rho)| 0.2964996E-15 GRAD(Rho)x -0.2131813E-15 GRAD(Rho)y 0.2038571E-15 GRAD(Rho)z -0.3013404E-16 Laplacian 0.5513737E+00 (-1/4)Del**2(Rho)) -0.1378434E+00 Diamond 0.9524924E+00 Metallicity 0.4253529E+01 Ellipticity 0.1040965E-01 Gb(Abramov) 0.1896158E+00 Vb(Abramov) -0.2413882E+00 Hb(Abramov) -0.5177237E-01 Ex_ueg -0.4942169E-01 Ec_ueg -0.7274243E-02 Delta_ex -0.5732642E-01 Delta_ec 0.1440105E-01 Delta_et -0.1878912E+00 Pxc 0.6794066E+01 Qxc -0.3980711E+01 3,-1 90 3 -1 -1.878282 0.552914 -2.900029 Rho 0.1508766E+00 |GRAD(Rho)| 0.3116301E-12 GRAD(Rho)x -0.2218426E-12 GRAD(Rho)y -0.2145821E-12 GRAD(Rho)z 0.4305410E-13 Laplacian 0.6104410E+00 (-1/4)Del**2(Rho)) -0.1526102E+00 Diamond 0.1249991E+01 Metallicity 0.4826947E+01 Ellipticity 0.1674909E-01 Gb(Abramov) 0.2245137E+00 Vb(Abramov) -0.2964173E+00 Hb(Abramov) -0.7190351E-01 Ex_ueg -0.5932178E-01 Ec_ueg -0.8499651E-02 Delta_ex -0.6569156E-01 Delta_ec 0.1554078E-01 Delta_et -0.2072198E+00 Pxc 0.6979319E+01 Qxc -0.4227045E+01 3,-1 91 3 +1 -0.629147 0.543517 -1.727950 Rho 0.7735603E-02 |GRAD(Rho)| 0.1828989E-16 GRAD(Rho)x 0.1440052E-16 GRAD(Rho)y -0.7585279E-18 GRAD(Rho)z -0.1125032E-16 Laplacian 0.2883081E-01 (-1/4)Del**2(Rho)) -0.7207703E-02 Diamond 0.6761773E-03 Metallicity 0.7231802E+00 Ellipticity -0.1467073E+01 Gb(Abramov) 0.5673880E-02 Vb(Abramov) -0.4140057E-02 Hb(Abramov) 0.1533823E-02 Ex_ueg -0.1129910E-02 Ec_ueg -0.2664721E-03 Delta_ex -0.1286716E-02 Delta_ec 0.4133635E-03 Delta_et -0.2742729E-02 Pxc 0.4240257E+01 Qxc -0.3112795E+01 3,+1 92 3 -1 -2.019793 0.862593 3.102522 Rho 0.1610656E+00 |GRAD(Rho)| 0.3651771E-15 GRAD(Rho)x -0.2630681E-15 GRAD(Rho)y -0.2499086E-15 GRAD(Rho)z -0.4117258E-16 Laplacian 0.6237732E+00 (-1/4)Del**2(Rho)) -0.1559433E+00 Diamond 0.1374646E+01 Metallicity 0.5267337E+01 Ellipticity 0.3819502E-01 Gb(Abramov) 0.2408632E+00 Vb(Abramov) -0.3257830E+00 Hb(Abramov) -0.8491987E-01 Ex_ueg -0.6472252E-01 Ec_ueg -0.9155593E-02 Delta_ex -0.6815500E-01 Delta_ec 0.1550998E-01 Delta_et -0.2083376E+00 Pxc 0.7069178E+01 Qxc -0.4394266E+01 3,-1 93 3 -1 -2.054424 -3.101696 -0.716149 Rho 0.1395276E+00 |GRAD(Rho)| 0.5575548E-12 GRAD(Rho)x 0.3094128E-12 GRAD(Rho)y -0.3240103E-12 GRAD(Rho)z -0.3318860E-12 Laplacian 0.5149954E+00 (-1/4)Del**2(Rho)) -0.1287488E+00 Diamond 0.9790884E+00 Metallicity 0.5022387E+01 Ellipticity 0.1151948E+00 Gb(Abramov) 0.1936036E+00 Vb(Abramov) -0.2584584E+00 Hb(Abramov) -0.6485480E-01 Ex_ueg -0.5344807E-01 Ec_ueg -0.7776539E-02 Delta_ex -0.5458024E-01 Delta_ec 0.1373886E-01 Delta_et -0.1818868E+00 Pxc 0.6872989E+01 Qxc -0.3972690E+01 3,-1 94 3 -1 -1.858987 -2.738321 0.587618 Rho 0.1202773E+00 |GRAD(Rho)| 0.2598073E-12 GRAD(Rho)x 0.1892999E-12 GRAD(Rho)y -0.5904543E-13 GRAD(Rho)z 0.1678660E-12 Laplacian 0.4959710E+00 (-1/4)Del**2(Rho)) -0.1239928E+00 Diamond 0.7716319E+00 Metallicity 0.4071892E+01 Ellipticity 0.1668901E-01 Gb(Abramov) 0.1668094E+00 Vb(Abramov) -0.2096259E+00 Hb(Abramov) -0.4281660E-01 Ex_ueg -0.4384936E-01 Ec_ueg -0.6568972E-02 Delta_ex -0.5049943E-01 Delta_ec 0.1329050E-01 Delta_et -0.1709246E+00 Pxc 0.6675223E+01 Qxc -0.3799665E+01 3,-1 95 3 -1 -1.748753 1.723200 0.525072 Rho 0.4258685E-01 |GRAD(Rho)| 0.7967717E-15 GRAD(Rho)x 0.6020808E-15 GRAD(Rho)y -0.4401336E-15 GRAD(Rho)z 0.2804039E-15 Laplacian 0.1809029E+00 (-1/4)Del**2(Rho)) -0.4522573E-01 Diamond 0.7903171E-01 Metallicity 0.1978306E+01 Ellipticity 0.3040905E-01 Gb(Abramov) 0.4506221E-01 Vb(Abramov) -0.4489868E-01 Hb(Abramov) 0.1635229E-03 Ex_ueg -0.1098379E-01 Ec_ueg -0.2009398E-02 Delta_ex -0.1458732E-01 Delta_ec 0.5901786E-02 Delta_et -0.5972881E-01 Pxc 0.5466212E+01 Qxc -0.2471679E+01 3,-1 96 3 +1 -1.415436 2.190498 1.106094 Rho 0.2562027E-01 |GRAD(Rho)| 0.2648928E-12 GRAD(Rho)x -0.1653228E-12 GRAD(Rho)y -0.6598499E-13 GRAD(Rho)z -0.1961697E-12 Laplacian 0.9450577E-01 (-1/4)Del**2(Rho)) -0.2362644E-01 Diamond 0.1219903E-01 Metallicity 0.1623532E+01 Ellipticity -0.3791798E+01 Gb(Abramov) 0.2214401E-01 Vb(Abramov) -0.2066158E-01 Hb(Abramov) 0.1482432E-02 Ex_ueg -0.5578233E-02 Ec_ueg -0.1119994E-02 Delta_ex -0.5854841E-02 Delta_ec 0.1493819E-02 Delta_et -0.1328890E-01 Pxc 0.4980591E+01 Qxc -0.3919377E+01 3,+1 97 3 +3 -1.144947 -1.094756 1.161314 Rho 0.5367644E-02 |GRAD(Rho)| 0.4622939E-14 GRAD(Rho)x -0.8645746E-15 GRAD(Rho)y -0.2567457E-14 GRAD(Rho)z 0.3745963E-14 Laplacian 0.2108782E-01 (-1/4)Del**2(Rho)) -0.5271955E-02 Diamond 0.1607640E-03 Metallicity 0.5377177E+00 Ellipticity -0.7851393E-01 Gb(Abramov) 0.3987107E-02 Vb(Abramov) -0.2702260E-02 Hb(Abramov) 0.1284848E-02 Ex_ueg -0.6941128E-03 Ec_ueg -0.1627682E-03 Delta_ex -0.7417949E-03 Delta_ec 0.9056694E-04 Delta_et -0.7323313E-03 Pxc 0.4264425E+01 Qxc -0.8190570E+01 3,+3 98 3 -1 0.271213 -1.345648 -1.920910 Rho 0.5277260E-02 |GRAD(Rho)| 0.3499619E-17 GRAD(Rho)x -0.2776303E-17 GRAD(Rho)y -0.2129044E-17 GRAD(Rho)z -0.8152259E-19 Laplacian 0.2051325E-01 (-1/4)Del**2(Rho)) -0.5128312E-02 Diamond 0.6298154E-03 Metallicity 0.5373528E+00 Ellipticity 0.1028721E+01 Gb(Abramov) 0.3878160E-02 Vb(Abramov) -0.2628008E-02 Hb(Abramov) 0.1250152E-02 Ex_ueg -0.6785727E-03 Ec_ueg -0.1588639E-03 Delta_ex -0.1130370E-02 Delta_ec 0.8240473E-03 Delta_et -0.4476801E-02 Pxc 0.4271410E+01 Qxc -0.1371730E+01 3,-1 99 3 -1 -0.627507 1.805708 -2.868553 Rho 0.1187534E+00 |GRAD(Rho)| 0.3557483E-14 GRAD(Rho)x -0.3335616E-14 GRAD(Rho)y 0.2515214E-15 GRAD(Rho)z 0.1210823E-14 Laplacian 0.5150705E+00 (-1/4)Del**2(Rho)) -0.1287676E+00 Diamond 0.8132552E+00 Metallicity 0.3838458E+01 Ellipticity 0.7166844E-02 Gb(Abramov) 0.1682233E+00 Vb(Abramov) -0.2076789E+00 Hb(Abramov) -0.3945565E-01 Ex_ueg -0.4311020E-01 Ec_ueg -0.6474452E-02 Delta_ex -0.5261285E-01 Delta_ec 0.1442865E-01 Delta_et -0.1860945E+00 Pxc 0.6658509E+01 Qxc -0.3646415E+01 3,-1 100 3 -1 0.076263 -2.072313 -1.034144 Rho 0.7744134E-02 |GRAD(Rho)| 0.1031070E-16 GRAD(Rho)x -0.7508780E-17 GRAD(Rho)y 0.6830601E-17 GRAD(Rho)z 0.1808793E-17 Laplacian 0.2942729E-01 (-1/4)Del**2(Rho)) -0.7356823E-02 Diamond 0.1405390E-02 Metallicity 0.7098244E+00 Ellipticity 0.7878269E+00 Gb(Abramov) 0.5774891E-02 Vb(Abramov) -0.4192959E-02 Hb(Abramov) 0.1581932E-02 Ex_ueg -0.1131572E-02 Ec_ueg -0.2668505E-03 Delta_ex -0.1683771E-02 Delta_ec 0.1082647E-02 Delta_et -0.6642902E-02 Pxc 0.4240471E+01 Qxc -0.1555235E+01 3,-1 101 3 +1 0.141251 -0.165721 2.975303 Rho 0.5910540E-02 |GRAD(Rho)| 0.9468801E-15 GRAD(Rho)x 0.6440616E-15 GRAD(Rho)y -0.6892374E-15 GRAD(Rho)z 0.8196529E-16 Laplacian 0.2415783E-01 (-1/4)Del**2(Rho)) -0.6039457E-02 Diamond 0.6950383E-03 Metallicity 0.5511467E+00 Ellipticity -0.3835543E+01 Gb(Abramov) 0.4581076E-02 Vb(Abramov) -0.3122695E-02 Hb(Abramov) 0.1458381E-02 Ex_ueg -0.7892622E-03 Ec_ueg -0.1863051E-03 Delta_ex -0.1233218E-02 Delta_ec 0.7467994E-03 Delta_et -0.4269852E-02 Pxc 0.4236396E+01 Qxc -0.1651338E+01 3,+1 102 3 -1 -0.836297 -3.471428 -1.251337 Rho 0.3169620E+00 |GRAD(Rho)| 0.1031009E-14 GRAD(Rho)x -0.7860339E-15 GRAD(Rho)y -0.6329223E-15 GRAD(Rho)z 0.2110436E-15 Laplacian -0.1629821E+01 (-1/4)Del**2(Rho)) 0.4074553E+00 Diamond 0.5582870E+01 Metallicity -0.6229958E+01 Ellipticity 0.3675595E-02 Gb(Abramov) 0.1514347E+00 Vb(Abramov) -0.7103247E+00 Hb(Abramov) -0.5588900E+00 Ex_ueg -0.1596104E+00 Ec_ueg -0.1992185E-01 Delta_ex 0.1618724E+00 Delta_ec 0.5654713E-01 Delta_et -0.1338192E+01 Pxc 0.8011830E+01 Qxc 0.2862611E+01 3,-1 103 3 +1 -1.092930 1.388485 2.244386 Rho 0.2486515E-01 |GRAD(Rho)| 0.1096601E-16 GRAD(Rho)x 0.2615734E-17 GRAD(Rho)y -0.9955982E-17 GRAD(Rho)z 0.3780166E-17 Laplacian 0.9367523E-01 (-1/4)Del**2(Rho)) -0.2341881E-01 Diamond 0.1081024E-01 Metallicity 0.1558261E+01 Ellipticity -0.2581573E+01 Gb(Abramov) 0.2169464E-01 Vb(Abramov) -0.1997047E-01 Hb(Abramov) 0.1724168E-02 Ex_ueg -0.5360103E-02 Ec_ueg -0.1081927E-02 Delta_ex -0.5669943E-02 Delta_ec 0.1325821E-02 Delta_et -0.1174997E-01 Pxc 0.4954219E+01 Qxc -0.4276552E+01 3,+1 104 3 +1 1.681901 -0.549129 -0.573948 Rho 0.7672341E-02 |GRAD(Rho)| 0.9683798E-17 GRAD(Rho)x 0.8397673E-17 GRAD(Rho)y -0.1491508E-17 GRAD(Rho)z -0.4585895E-17 Laplacian 0.2956954E-01 (-1/4)Del**2(Rho)) -0.7392384E-02 Diamond 0.6825915E-03 Metallicity 0.6955288E+00 Ellipticity -0.1421413E+01 Gb(Abramov) 0.5785192E-02 Vb(Abramov) -0.4178000E-02 Hb(Abramov) 0.1607192E-02 Ex_ueg -0.1117606E-02 Ec_ueg -0.2636672E-03 Delta_ex -0.1315299E-02 Delta_ec 0.4209508E-03 Delta_et -0.2789585E-02 Pxc 0.4238701E+01 Qxc -0.3124590E+01 3,+1 105 3 +3 -0.072710 -2.360324 -0.103866 Rho 0.4268587E-02 |GRAD(Rho)| 0.3004221E-12 GRAD(Rho)x -0.1657261E-12 GRAD(Rho)y -0.1845013E-12 GRAD(Rho)z -0.1695512E-12 Laplacian 0.1721442E-01 (-1/4)Del**2(Rho)) -0.4303605E-02 Diamond 0.1265923E-03 Metallicity 0.4496359E+00 Ellipticity -0.3724957E+00 Gb(Abramov) 0.3191579E-02 Vb(Abramov) -0.2079553E-02 Hb(Abramov) 0.1112026E-02 Ex_ueg -0.5114037E-03 Ec_ueg -0.1155742E-03 Delta_ex -0.6034546E-03 Delta_ec 0.1367550E-03 Delta_et -0.8744136E-03 Pxc 0.4424896E+01 Qxc -0.4412669E+01 3,+3 106 3 +1 -0.184166 -2.319486 -1.077911 Rho 0.7449282E-02 |GRAD(Rho)| 0.8669896E-17 GRAD(Rho)x -0.6820073E-17 GRAD(Rho)y 0.5028070E-17 GRAD(Rho)z -0.1836358E-17 Laplacian 0.2908543E-01 (-1/4)Del**2(Rho)) -0.7271356E-02 Diamond 0.9130489E-03 Metallicity 0.6731757E+00 Ellipticity -0.2057998E+01 Gb(Abramov) 0.5663388E-02 Vb(Abramov) -0.4055419E-02 Hb(Abramov) 0.1607969E-02 Ex_ueg -0.1074495E-02 Ec_ueg -0.2537917E-03 Delta_ex -0.1430543E-02 Delta_ec 0.6752133E-03 Delta_et -0.4222218E-02 Pxc 0.4233765E+01 Qxc -0.2118653E+01 3,+1 107 3 -1 -0.551379 1.742061 1.751925 Rho 0.4365991E-01 |GRAD(Rho)| 0.1076402E-15 GRAD(Rho)x 0.3288161E-16 GRAD(Rho)y 0.8844125E-16 GRAD(Rho)z 0.5180115E-16 Laplacian 0.1872159E+00 (-1/4)Del**2(Rho)) -0.4680399E-01 Diamond 0.8476655E-01 Metallicity 0.1992546E+01 Ellipticity 0.3046086E-01 Gb(Abramov) 0.4674584E-01 Vb(Abramov) -0.4668770E-01 Hb(Abramov) 0.5814407E-04 Ex_ueg -0.1135435E-01 Ec_ueg -0.2067537E-02 Delta_ex -0.1519699E-01 Delta_ec 0.6122091E-02 Delta_et -0.6238274E-01 Pxc 0.5491727E+01 Qxc -0.2482320E+01 3,-1 108 3 -1 0.041089 -0.062267 2.974694 Rho 0.5922063E-02 |GRAD(Rho)| 0.4896033E-17 GRAD(Rho)x 0.4117813E-17 GRAD(Rho)y -0.2120421E-17 GRAD(Rho)z 0.1587000E-17 Laplacian 0.2358585E-01 (-1/4)Del**2(Rho)) -0.5896462E-02 Diamond 0.7760926E-03 Metallicity 0.5663479E+00 Ellipticity 0.3213146E+01 Gb(Abramov) 0.4487550E-02 Vb(Abramov) -0.3078637E-02 Hb(Abramov) 0.1408913E-02 Ex_ueg -0.7913144E-03 Ec_ueg -0.1868062E-03 Delta_ex -0.1275420E-02 Delta_ec 0.8557634E-03 Delta_et -0.4844718E-02 Pxc 0.4236018E+01 Qxc -0.1490389E+01 3,-1 109 3 -1 1.752872 0.507079 -1.783388 Rho 0.3565892E-01 |GRAD(Rho)| 0.3192586E-16 GRAD(Rho)x 0.7845431E-17 GRAD(Rho)y -0.2666735E-16 GRAD(Rho)z -0.1570230E-16 Laplacian 0.1486339E+00 (-1/4)Del**2(Rho)) -0.3715846E-01 Diamond 0.5074706E-01 Metallicity 0.1791055E+01 Ellipticity 0.4082766E-01 Gb(Abramov) 0.3586446E-01 Vb(Abramov) -0.3457045E-01 Hb(Abramov) 0.1294010E-02 Ex_ueg -0.8668474E-02 Ec_ueg -0.1639028E-02 Delta_ex -0.1146195E-01 Delta_ec 0.4820661E-02 Delta_et -0.4645395E-01 Pxc 0.5288790E+01 Qxc -0.2377672E+01 3,-1 110 3 +1 2.182914 1.008793 -1.420923 Rho 0.2330457E-01 |GRAD(Rho)| 0.2417181E-14 GRAD(Rho)x 0.1103350E-14 GRAD(Rho)y -0.1139373E-14 GRAD(Rho)z -0.1824064E-14 Laplacian 0.8725825E-01 (-1/4)Del**2(Rho)) -0.2181456E-01 Diamond 0.9401575E-02 Metallicity 0.1501557E+01 Ellipticity -0.2621318E+01 Gb(Abramov) 0.2000234E-01 Vb(Abramov) -0.1819013E-01 Hb(Abramov) 0.1812219E-02 Ex_ueg -0.4916317E-02 Ec_ueg -0.1003737E-02 Delta_ex -0.5211942E-02 Delta_ec 0.1276394E-02 Delta_et -0.1113119E-01 Pxc 0.4898015E+01 Qxc -0.4083333E+01 3,+1 111 3 -1 -0.885468 1.996424 3.073075 Rho 0.1060694E+00 |GRAD(Rho)| 0.1120389E-15 GRAD(Rho)x 0.7742559E-16 GRAD(Rho)y 0.1820104E-16 GRAD(Rho)z -0.7890959E-16 Laplacian 0.4387967E+00 (-1/4)Del**2(Rho)) -0.1096992E+00 Diamond 0.6061741E+00 Metallicity 0.3732504E+01 Ellipticity 0.7656870E-02 Gb(Abramov) 0.1413749E+00 Vb(Abramov) -0.1730506E+00 Hb(Abramov) -0.3167571E-01 Ex_ueg -0.3708276E-01 Ec_ueg -0.5694161E-02 Delta_ex -0.4367522E-01 Delta_ec 0.1264810E-01 Delta_et -0.1597007E+00 Pxc 0.6512419E+01 Qxc -0.3453104E+01 3,-1 112 3 +1 0.393073 -1.798975 -0.662207 Rho 0.6927069E-02 |GRAD(Rho)| 0.1388392E-15 GRAD(Rho)x 0.4464942E-17 GRAD(Rho)y 0.8496620E-16 GRAD(Rho)z 0.1097139E-15 Laplacian 0.2642575E-01 (-1/4)Del**2(Rho)) -0.6606439E-02 Diamond 0.6638467E-03 Metallicity 0.6563996E+00 Ellipticity -0.1716486E+01 Gb(Abramov) 0.5127036E-02 Vb(Abramov) -0.3647634E-02 Hb(Abramov) 0.1479402E-02 Ex_ueg -0.9752541E-03 Ec_ueg -0.2307623E-03 Delta_ex -0.1225890E-02 Delta_ec 0.5189097E-03 Delta_et -0.3227193E-02 Pxc 0.4226227E+01 Qxc -0.2362434E+01 3,+1 113 3 -1 -0.571892 -1.796688 2.795677 Rho 0.1403203E+00 |GRAD(Rho)| 0.3041529E-12 GRAD(Rho)x -0.1960091E-12 GRAD(Rho)y 0.2212530E-12 GRAD(Rho)z 0.7166965E-13 Laplacian 0.5836607E+00 (-1/4)Del**2(Rho)) -0.1459152E+00 Diamond 0.1089034E+01 Metallicity 0.4473563E+01 Ellipticity 0.1183644E-01 Gb(Abramov) 0.2060702E+00 Vb(Abramov) -0.2662253E+00 Hb(Abramov) -0.6015506E-01 Ex_ueg -0.5385331E-01 Ec_ueg -0.7826783E-02 Delta_ex -0.6163557E-01 Delta_ec 0.1500183E-01 Delta_et -0.1976760E+00 Pxc 0.6880645E+01 Qxc -0.4108537E+01 3,-1 114 3 -1 -0.585951 2.827209 -1.855318 Rho 0.1279914E+00 |GRAD(Rho)| 0.2533010E-14 GRAD(Rho)x 0.1145487E-14 GRAD(Rho)y -0.1248527E-15 GRAD(Rho)z -0.2255750E-14 Laplacian 0.5426406E+00 (-1/4)Del**2(Rho)) -0.1356601E+00 Diamond 0.9279914E+00 Metallicity 0.4127962E+01 Ellipticity 0.1337082E-01 Gb(Abramov) 0.1837734E+00 Vb(Abramov) -0.2318867E+00 Hb(Abramov) -0.4811326E-01 Ex_ueg -0.4763866E-01 Ec_ueg -0.7049915E-02 Delta_ex -0.5630461E-01 Delta_ec 0.1473073E-01 Delta_et -0.1921836E+00 Pxc 0.6757338E+01 Qxc -0.3822256E+01 3,-1 115 3 +3 -0.013842 2.340129 0.005339 Rho 0.4145402E-02 |GRAD(Rho)| 0.3462131E-17 GRAD(Rho)x 0.3093370E-17 GRAD(Rho)y 0.1550211E-17 GRAD(Rho)z 0.1193987E-18 Laplacian 0.1632061E-01 (-1/4)Del**2(Rho)) -0.4080153E-02 Diamond 0.1192580E-03 Metallicity 0.4516699E+00 Ellipticity -0.2324542E+00 Gb(Abramov) 0.3027249E-02 Vb(Abramov) -0.1974345E-02 Hb(Abramov) 0.1052904E-02 Ex_ueg -0.4918212E-03 Ec_ueg -0.1103234E-03 Delta_ex -0.5724726E-03 Delta_ec 0.1379915E-03 Delta_et -0.8627945E-03 Pxc 0.4457996E+01 Qxc -0.4148608E+01 3,+3 116 3 +1 -0.122450 2.983169 0.129427 Rho 0.4907771E-02 |GRAD(Rho)| 0.1591362E-16 GRAD(Rho)x -0.9463046E-17 GRAD(Rho)y -0.6817279E-18 GRAD(Rho)z -0.1277612E-16 Laplacian 0.1871166E-01 (-1/4)Del**2(Rho)) -0.4677915E-02 Diamond 0.4169098E-03 Metallicity 0.5219649E+00 Ellipticity -0.3998137E+01 Gb(Abramov) 0.3525562E-02 Vb(Abramov) -0.2373208E-02 Hb(Abramov) 0.1152354E-02 Ex_ueg -0.6159765E-03 Ec_ueg -0.1429460E-03 Delta_ex -0.9187483E-03 Delta_ec 0.5744935E-03 Delta_et -0.3108547E-02 Pxc 0.4309156E+01 Qxc -0.1599232E+01 3,+1 117 3 -1 -0.895339 3.047691 2.038470 Rho 0.1403929E+00 |GRAD(Rho)| 0.3021354E-15 GRAD(Rho)x -0.1523304E-15 GRAD(Rho)y 0.2389039E-15 GRAD(Rho)z 0.1049101E-15 Laplacian 0.5635641E+00 (-1/4)Del**2(Rho)) -0.1408910E+00 Diamond 0.1071471E+01 Metallicity 0.4637087E+01 Ellipticity 0.2375441E-01 Gb(Abramov) 0.2028147E+00 Vb(Abramov) -0.2647383E+00 Hb(Abramov) -0.6192364E-01 Ex_ueg -0.5389048E-01 Ec_ueg -0.7831388E-02 Delta_ex -0.5973062E-01 Delta_ec 0.1485800E-01 Delta_et -0.1965825E+00 Pxc 0.6881344E+01 Qxc -0.4020098E+01 3,-1 118 3 -1 -0.525166 0.444562 0.464350 Rho 0.1770487E+00 |GRAD(Rho)| 0.1554715E-14 GRAD(Rho)x 0.9228729E-15 GRAD(Rho)y -0.8881784E-15 GRAD(Rho)z -0.8812395E-15 Laplacian 0.4615771E+00 (-1/4)Del**2(Rho)) -0.1153943E+00 Diamond 0.1160712E+01 Metallicity 0.8334065E+01 Ellipticity 0.2187740E-02 Gb(Abramov) 0.2372134E+00 Vb(Abramov) -0.3590326E+00 Hb(Abramov) -0.1218191E+00 Ex_ueg -0.7342469E-01 Ec_ueg -0.1019696E-01 Delta_ex -0.5180752E-01 Delta_ec 0.1150113E-01 Delta_et -0.1570869E+00 Pxc 0.7200644E+01 Qxc -0.4504561E+01 3,-1 119 3 +1 1.073865 2.172564 -1.405422 Rho 0.2450059E-01 |GRAD(Rho)| 0.4824809E-15 GRAD(Rho)x -0.2755858E-15 GRAD(Rho)y 0.1415373E-15 GRAD(Rho)z -0.3698749E-15 Laplacian 0.9279329E-01 (-1/4)Del**2(Rho)) -0.2319832E-01 Diamond 0.1118414E-01 Metallicity 0.1534820E+01 Ellipticity -0.3084453E+01 Gb(Abramov) 0.2139976E-01 Vb(Abramov) -0.1960119E-01 Hb(Abramov) 0.1798567E-02 Ex_ueg -0.5255576E-02 Ec_ueg -0.1063602E-02 Delta_ex -0.5671097E-02 Delta_ec 0.1451185E-02 Delta_et -0.1277708E-01 Pxc 0.4941298E+01 Qxc -0.3907907E+01 3,+1 120 3 +1 0.518815 1.673249 0.531387 Rho 0.7616512E-02 |GRAD(Rho)| 0.9707532E-17 GRAD(Rho)x -0.2146565E-17 GRAD(Rho)y -0.9177274E-17 GRAD(Rho)z 0.2325095E-17 Laplacian 0.2929174E-01 (-1/4)Del**2(Rho)) -0.7322934E-02 Diamond 0.6704243E-03 Metallicity 0.6936306E+00 Ellipticity -0.1423063E+01 Gb(Abramov) 0.5728525E-02 Vb(Abramov) -0.4134115E-02 Hb(Abramov) 0.1594410E-02 Ex_ueg -0.1106776E-02 Ec_ueg -0.2611934E-03 Delta_ex -0.1301059E-02 Delta_ec 0.4178762E-03 Delta_et -0.2763228E-02 Pxc 0.4237384E+01 Qxc -0.3113504E+01 3,+1 121 3 -1 0.494535 1.700022 -1.767521 Rho 0.4345197E-01 |GRAD(Rho)| 0.3314910E-14 GRAD(Rho)x 0.1014606E-14 GRAD(Rho)y 0.2890143E-14 GRAD(Rho)z -0.1267389E-14 Laplacian 0.1833313E+00 (-1/4)Del**2(Rho)) -0.4583282E-01 Diamond 0.8248517E-01 Metallicity 0.2018641E+01 Ellipticity 0.2299600E-01 Gb(Abramov) 0.4597522E-01 Vb(Abramov) -0.4611761E-01 Hb(Abramov) -0.1423935E-03 Ex_ueg -0.1128230E-01 Ec_ueg -0.2056255E-02 Delta_ex -0.1486503E-01 Delta_ec 0.5996523E-02 Delta_et -0.6102400E-01 Pxc 0.5486820E+01 Qxc -0.2478941E+01 3,-1 122 3 -1 -0.092442 -3.199995 3.216687 Rho 0.2317576E+00 |GRAD(Rho)| 0.3106263E-12 GRAD(Rho)x 0.6207637E-13 GRAD(Rho)y 0.2136360E-12 GRAD(Rho)z -0.2167831E-12 Laplacian 0.8586483E+00 (-1/4)Del**2(Rho)) -0.2146621E+00 Diamond 0.2906389E+01 Metallicity 0.7017589E+01 Ellipticity 0.1661011E-02 Gb(Abramov) 0.3941764E+00 Vb(Abramov) -0.5736908E+00 Hb(Abramov) -0.1795144E+00 Ex_ueg -0.1051390E+00 Ec_ueg -0.1387120E-01 Delta_ex -0.1027717E+00 Delta_ec 0.1911107E-01 Delta_et -0.2641395E+00 Pxc 0.7579659E+01 Qxc -0.5377601E+01 3,-1 123 3 -1 -0.000435 -3.331354 -1.194543 Rho 0.3166694E-01 |GRAD(Rho)| 0.8744302E-13 GRAD(Rho)x 0.7866194E-13 GRAD(Rho)y -0.3791069E-13 GRAD(Rho)z 0.4621782E-14 Laplacian 0.9814832E-01 (-1/4)Del**2(Rho)) -0.2453708E-01 Diamond 0.4129307E-01 Metallicity 0.2225395E+01 Ellipticity 0.7088189E-02 Gb(Abramov) 0.2545884E-01 Vb(Abramov) -0.2638059E-01 Hb(Abramov) -0.9217569E-03 Ex_ueg -0.7399344E-02 Ec_ueg -0.1429906E-02 Delta_ex -0.8368534E-02 Delta_ec 0.4992302E-02 Delta_et -0.4649726E-01 Pxc 0.5174705E+01 Qxc -0.1676288E+01 3,-1 124 3 -1 -0.589601 -2.761961 1.828151 Rho 0.1509650E+00 |GRAD(Rho)| 0.5138918E-15 GRAD(Rho)x 0.1214849E-15 GRAD(Rho)y -0.4022390E-16 GRAD(Rho)z 0.4977030E-15 Laplacian 0.6294678E+00 (-1/4)Del**2(Rho)) -0.1573670E+00 Diamond 0.1278695E+01 Metallicity 0.4685618E+01 Ellipticity 0.2140292E-01 Gb(Abramov) 0.2278049E+00 Vb(Abramov) -0.2982428E+00 Hb(Abramov) -0.7043791E-01 Ex_ueg -0.5936815E-01 Ec_ueg -0.8505318E-02 Delta_ex -0.6763859E-01 Delta_ec 0.1582596E-01 Delta_et -0.2105835E+00 Pxc 0.6980121E+01 Qxc -0.4273902E+01 3,-1 125 3 +1 0.324841 -1.596292 -1.744611 Rho 0.5173930E-02 |GRAD(Rho)| 0.9280912E-17 GRAD(Rho)x -0.1866080E-17 GRAD(Rho)y 0.6592841E-17 GRAD(Rho)z 0.6259995E-17 Laplacian 0.1987805E-01 (-1/4)Del**2(Rho)) -0.4969512E-02 Diamond 0.4421105E-03 Metallicity 0.5365460E+00 Ellipticity -0.2395343E+01 Gb(Abramov) 0.3757403E-02 Vb(Abramov) -0.2545295E-02 Hb(Abramov) 0.1212109E-02 Ex_ueg -0.6609152E-03 Ec_ueg -0.1544054E-03 Delta_ex -0.9565001E-03 Delta_ec 0.5574294E-03 Delta_et -0.3086138E-02 Pxc 0.4280390E+01 Qxc -0.1715913E+01 3,+1 126 3 -1 0.502796 -1.746421 1.714234 Rho 0.4898359E-01 |GRAD(Rho)| 0.2232540E-12 GRAD(Rho)x -0.7169410E-13 GRAD(Rho)y -0.1461351E-12 GRAD(Rho)z 0.1527967E-12 Laplacian 0.1954282E+00 (-1/4)Del**2(Rho)) -0.4885705E-01 Diamond 0.9553996E-01 Metallicity 0.2312297E+01 Ellipticity 0.1373493E-01 Gb(Abramov) 0.5140004E-01 Vb(Abramov) -0.5394303E-01 Hb(Abramov) -0.2542986E-02 Ex_ueg -0.1323689E-01 Ec_ueg -0.2358768E-02 Delta_ex -0.1596783E-01 Delta_ec 0.5760590E-02 Delta_et -0.6040197E-01 Pxc 0.5611780E+01 Qxc -0.2771908E+01 3,-1 127 3 +3 0.971887 -1.168755 -1.315139 Rho 0.3837074E-02 |GRAD(Rho)| 0.2176779E-17 GRAD(Rho)x 0.2153417E-17 GRAD(Rho)y 0.2635319E-18 GRAD(Rho)z 0.1780862E-18 Laplacian 0.1451508E-01 (-1/4)Del**2(Rho)) -0.3628771E-02 Diamond 0.9468363E-04 Metallicity 0.4464716E+00 Ellipticity -0.3830631E+00 Gb(Abramov) 0.2689204E-02 Vb(Abramov) -0.1749638E-02 Hb(Abramov) 0.9395663E-03 Ex_ueg -0.4436617E-03 Ec_ueg -0.9721582E-04 Delta_ex -0.4980922E-03 Delta_ec 0.1207716E-03 Delta_et -0.7444277E-03 Pxc 0.4563678E+01 Qxc -0.4124250E+01 3,+3 128 3 +1 0.532746 -0.829957 -1.806476 Rho 0.4678146E-02 |GRAD(Rho)| 0.7412623E-17 GRAD(Rho)x -0.4254789E-17 GRAD(Rho)y 0.5168971E-18 GRAD(Rho)z 0.6047857E-17 Laplacian 0.1778060E-01 (-1/4)Del**2(Rho)) -0.4445150E-02 Diamond 0.2861691E-03 Metallicity 0.5071344E+00 Ellipticity -0.1605756E+01 Gb(Abramov) 0.3339148E-02 Vb(Abramov) -0.2233146E-02 Hb(Abramov) 0.1106002E-02 Ex_ueg -0.5778522E-03 Ec_ueg -0.1330885E-03 Delta_ex -0.7784413E-03 Delta_ec 0.3914013E-03 Delta_et -0.2152142E-02 Pxc 0.4341864E+01 Qxc -0.1988857E+01 3,+1 129 3 -1 0.068347 3.244084 3.258438 Rho 0.2067383E+00 |GRAD(Rho)| 0.4999872E-15 GRAD(Rho)x 0.1931235E-15 GRAD(Rho)y 0.2799952E-15 GRAD(Rho)z 0.3664603E-15 Laplacian 0.7820614E+00 (-1/4)Del**2(Rho)) -0.1955153E+00 Diamond 0.2310388E+01 Metallicity 0.6369039E+01 Ellipticity 0.4945678E-02 Gb(Abramov) 0.3378844E+00 Vb(Abramov) -0.4802534E+00 Hb(Abramov) -0.1423690E+00 Ex_ueg -0.9028445E-01 Ec_ueg -0.1217021E-01 Delta_ex -0.9090100E-01 Delta_ec 0.1801806E-01 Delta_et -0.2475601E+00 Pxc 0.7418479E+01 Qxc -0.5044992E+01 3,-1 130 3 -1 -0.053372 3.221487 -3.276913 Rho 0.2078061E+00 |GRAD(Rho)| 0.7824723E-14 GRAD(Rho)x 0.1788215E-14 GRAD(Rho)y -0.5044901E-14 GRAD(Rho)z 0.5707674E-14 Laplacian 0.7839995E+00 (-1/4)Del**2(Rho)) -0.1959999E+00 Diamond 0.2333573E+01 Metallicity 0.6408079E+01 Ellipticity 0.5873749E-02 Gb(Abramov) 0.3399971E+00 Vb(Abramov) -0.4839942E+00 Hb(Abramov) -0.1439972E+00 Ex_ueg -0.9090675E-01 Ec_ueg -0.1224210E-01 Delta_ex -0.9126669E-01 Delta_ec 0.1807219E-01 Delta_et -0.2485236E+00 Pxc 0.7425747E+01 Qxc -0.5050118E+01 3,-1 131 3 -1 0.403511 -0.509204 0.431465 Rho 0.1752718E+00 |GRAD(Rho)| 0.4960824E-15 GRAD(Rho)x -0.4336809E-15 GRAD(Rho)y 0.1595946E-15 GRAD(Rho)z -0.1804112E-15 Laplacian 0.4501989E+00 (-1/4)Del**2(Rho)) -0.1125497E+00 Diamond 0.1127339E+01 Metallicity 0.8402246E+01 Ellipticity 0.4080962E-02 Gb(Abramov) 0.2326449E+00 Vb(Abramov) -0.3527401E+00 Hb(Abramov) -0.1200952E+00 Ex_ueg -0.7244378E-01 Ec_ueg -0.1008045E-01 Delta_ex -0.5047504E-01 Delta_ec 0.1137509E-01 Delta_et -0.1555430E+00 Pxc 0.7186561E+01 Qxc -0.4437333E+01 3,-1 132 3 +1 1.329081 -2.211498 1.082403 Rho 0.2792338E-01 |GRAD(Rho)| 0.2987334E-16 GRAD(Rho)x -0.1479307E-16 GRAD(Rho)y 0.2549682E-16 GRAD(Rho)z -0.4847015E-17 Laplacian 0.1097060E+00 (-1/4)Del**2(Rho)) -0.2742651E-01 Diamond 0.1635463E-01 Metallicity 0.1614344E+01 Ellipticity -0.3755603E+01 Gb(Abramov) 0.2566364E-01 Vb(Abramov) -0.2390077E-01 Hb(Abramov) 0.1762868E-02 Ex_ueg -0.6256657E-02 Ec_ueg -0.1236999E-02 Delta_ex -0.6995203E-02 Delta_ec 0.1802355E-02 Delta_et -0.1635070E-01 Pxc 0.5057933E+01 Qxc -0.3881147E+01 3,+1 133 3 +1 1.293362 -1.142871 2.169986 Rho 0.2637113E-01 |GRAD(Rho)| 0.7712522E-16 GRAD(Rho)x -0.1808581E-16 GRAD(Rho)y 0.2485954E-16 GRAD(Rho)z -0.7073334E-16 Laplacian 0.1023883E+00 (-1/4)Del**2(Rho)) -0.2559708E-01 Diamond 0.1429244E-01 Metallicity 0.1572452E+01 Ellipticity -0.3879915E+01 Gb(Abramov) 0.2377309E-01 Vb(Abramov) -0.2194909E-01 Hb(Abramov) 0.1823997E-02 Ex_ueg -0.5797269E-02 Ec_ueg -0.1157993E-02 Delta_ex -0.6447443E-02 Delta_ec 0.1715703E-02 Delta_et -0.1534725E-01 Pxc 0.5006306E+01 Qxc -0.3757902E+01 3,+1 134 3 -1 0.833735 -3.005891 2.020748 Rho 0.1518439E+00 |GRAD(Rho)| 0.2100114E-14 GRAD(Rho)x -0.1513167E-14 GRAD(Rho)y 0.8564113E-15 GRAD(Rho)z 0.1177864E-14 Laplacian 0.5959106E+00 (-1/4)Del**2(Rho)) -0.1489777E+00 Diamond 0.1221094E+01 Metallicity 0.4997595E+01 Ellipticity 0.5889703E-01 Gb(Abramov) 0.2234068E+00 Vb(Abramov) -0.2978359E+00 Hb(Abramov) -0.7442913E-01 Ex_ueg -0.5982945E-01 Ec_ueg -0.8561657E-02 Delta_ex -0.6414499E-01 Delta_ec 0.1499724E-01 Delta_et -0.1998003E+00 Pxc 0.6988069E+01 Qxc -0.4277121E+01 3,-1 135 3 -1 1.952928 -3.026867 0.841709 Rho 0.1141062E+00 |GRAD(Rho)| 0.3199473E-15 GRAD(Rho)x -0.2597342E-16 GRAD(Rho)y -0.7202491E-16 GRAD(Rho)z -0.3106510E-15 Laplacian 0.4436478E+00 (-1/4)Del**2(Rho)) -0.1109120E+00 Diamond 0.6505553E+00 Metallicity 0.4169559E+01 Ellipticity 0.2036150E-01 Gb(Abramov) 0.1510170E+00 Vb(Abramov) -0.1911220E+00 Hb(Abramov) -0.4010501E-01 Ex_ueg -0.4087559E-01 Ec_ueg -0.6187206E-02 Delta_ex -0.4464879E-01 Delta_ec 0.1210352E-01 Delta_et -0.1543125E+00 Pxc 0.6606469E+01 Qxc -0.3688909E+01 3,-1 136 3 +3 1.970166 1.916156 -1.960420 Rho 0.1127975E-01 |GRAD(Rho)| 0.5188088E-17 GRAD(Rho)x -0.7787538E-18 GRAD(Rho)y -0.4446730E-17 GRAD(Rho)z -0.2556638E-17 Laplacian 0.4750806E-01 (-1/4)Del**2(Rho)) -0.1187702E-01 Diamond 0.1041423E-02 Metallicity 0.8228961E+00 Ellipticity -0.8835554E+00 Gb(Abramov) 0.9546935E-02 Vb(Abramov) -0.7216855E-02 Hb(Abramov) 0.2330080E-02 Ex_ueg -0.1868319E-02 Ec_ueg -0.4264227E-03 Delta_ex -0.2075502E-02 Delta_ec 0.2202899E-03 Delta_et -0.1941198E-02 Pxc 0.4381378E+01 Qxc -0.9421686E+01 3,+3 137 3 +1 2.038421 1.981290 -2.022006 Rho 0.1129582E-01 |GRAD(Rho)| 0.1097450E-14 GRAD(Rho)x -0.6545262E-15 GRAD(Rho)y -0.6210918E-15 GRAD(Rho)z 0.6246896E-15 Laplacian 0.4790687E-01 (-1/4)Del**2(Rho)) -0.1197672E-01 Diamond 0.1262635E-02 Metallicity 0.8179837E+00 Ellipticity -0.1088215E+01 Gb(Abramov) 0.9617272E-02 Vb(Abramov) -0.7257826E-02 Hb(Abramov) 0.2359446E-02 Ex_ueg -0.1871868E-02 Ec_ueg -0.4271597E-03 Delta_ex -0.2159692E-02 Delta_ec 0.3397992E-03 Delta_et -0.2733886E-02 Pxc 0.4382126E+01 Qxc -0.6355787E+01 3,+1 138 3 +1 1.411867 1.027028 -2.205697 Rho 0.2486336E-01 |GRAD(Rho)| 0.2966718E-15 GRAD(Rho)x 0.2192987E-15 GRAD(Rho)y -0.1219236E-15 GRAD(Rho)z -0.1582936E-15 Laplacian 0.9287906E-01 (-1/4)Del**2(Rho)) -0.2321976E-01 Diamond 0.1189060E-01 Metallicity 0.1571430E+01 Ellipticity -0.4151828E+01 Gb(Abramov) 0.2156122E-01 Vb(Abramov) -0.1990267E-01 Hb(Abramov) 0.1658548E-02 Ex_ueg -0.5359590E-02 Ec_ueg -0.1081837E-02 Delta_ex -0.5750004E-02 Delta_ec 0.1543732E-02 Delta_et -0.1361618E-01 Pxc 0.4954156E+01 Qxc -0.3724743E+01 3,+1 139 3 +3 1.092218 1.092375 1.080974 Rho 0.4543861E-02 |GRAD(Rho)| 0.6143903E-17 GRAD(Rho)x 0.1566788E-17 GRAD(Rho)y -0.5800567E-17 GRAD(Rho)z -0.1283021E-17 Laplacian 0.1757748E-01 (-1/4)Del**2(Rho)) -0.4394369E-02 Diamond 0.1125780E-03 Metallicity 0.4886881E+00 Ellipticity -0.1006150E+00 Gb(Abramov) 0.3287492E-02 Vb(Abramov) -0.2180615E-02 Hb(Abramov) 0.1106877E-02 Ex_ueg -0.5558426E-03 Ec_ueg -0.1273364E-03 Delta_ex -0.5965839E-03 Delta_ec 0.8664231E-04 Delta_et -0.6477300E-03 Pxc 0.4365150E+01 Qxc -0.6885595E+01 3,+3 140 3 +1 2.132532 -1.400603 1.086429 Rho 0.2743411E-01 |GRAD(Rho)| 0.1876546E-14 GRAD(Rho)x 0.1103099E-14 GRAD(Rho)y -0.1294456E-14 GRAD(Rho)z -0.7930827E-15 Laplacian 0.1086591E+00 (-1/4)Del**2(Rho)) -0.2716477E-01 Diamond 0.1636888E-01 Metallicity 0.1582579E+01 Ellipticity -0.4335628E+01 Gb(Abramov) 0.2527491E-01 Vb(Abramov) -0.2338505E-01 Hb(Abramov) 0.1889857E-02 Ex_ueg -0.6110916E-02 Ec_ueg -0.1212032E-02 Delta_ex -0.6949208E-02 Delta_ec 0.1881147E-02 Delta_et -0.1697788E-01 Pxc 0.5041877E+01 Qxc -0.3694134E+01 3,+1 141 3 -1 0.554907 1.800017 2.806697 Rho 0.1088661E+00 |GRAD(Rho)| 0.1585129E-09 GRAD(Rho)x 0.1013867E-09 GRAD(Rho)y -0.1169405E-09 GRAD(Rho)z 0.3423408E-10 Laplacian 0.4721726E+00 (-1/4)Del**2(Rho)) -0.1180431E+00 Diamond 0.6732660E+00 Metallicity 0.3622430E+01 Ellipticity 0.1689990E-01 Gb(Abramov) 0.1499626E+00 Vb(Abramov) -0.1818821E+00 Hb(Abramov) -0.3191946E-01 Ex_ueg -0.3839210E-01 Ec_ueg -0.5865188E-02 Delta_ex -0.4728561E-01 Delta_ec 0.1353777E-01 Delta_et -0.1718204E+00 Pxc 0.6545757E+01 Qxc -0.3492865E+01 3,-1 142 3 -1 0.874497 1.980956 -3.063927 Rho 0.1158418E+00 |GRAD(Rho)| 0.1119204E-15 GRAD(Rho)x 0.5929231E-16 GRAD(Rho)y 0.3645630E-17 GRAD(Rho)z -0.9485414E-16 Laplacian 0.4751314E+00 (-1/4)Del**2(Rho)) -0.1187829E+00 Diamond 0.7203627E+00 Metallicity 0.3992472E+01 Ellipticity 0.1015097E-01 Gb(Abramov) 0.1582281E+00 Vb(Abramov) -0.1976734E+00 Hb(Abramov) -0.3944525E-01 Ex_ueg -0.4170669E-01 Ec_ueg -0.6294307E-02 Delta_ex -0.4814131E-01 Delta_ec 0.1319041E-01 Delta_et -0.1690529E+00 Pxc 0.6626097E+01 Qxc -0.3649721E+01 3,-1 143 3 -1 1.708886 -0.553542 1.709533 Rho 0.4212179E-01 |GRAD(Rho)| 0.3593576E-16 GRAD(Rho)x -0.2993901E-16 GRAD(Rho)y -0.6334324E-17 GRAD(Rho)z 0.1883907E-16 Laplacian 0.1660679E+00 (-1/4)Del**2(Rho)) -0.4151699E-01 Diamond 0.6540905E-01 Metallicity 0.2115950E+01 Ellipticity 0.4250933E-01 Gb(Abramov) 0.4231930E-01 Vb(Abramov) -0.4312162E-01 Hb(Abramov) -0.8023173E-03 Ex_ueg -0.1082416E-01 Ec_ueg -0.1984262E-02 Delta_ex -0.1302656E-01 Delta_ec 0.4831304E-02 Delta_et -0.4866776E-01 Pxc 0.5455004E+01 Qxc -0.2696283E+01 3,-1 144 3 +3 2.303868 0.003939 -0.022150 Rho 0.4161133E-02 |GRAD(Rho)| 0.5144866E-17 GRAD(Rho)x -0.4373726E-17 GRAD(Rho)y -0.2321923E-17 GRAD(Rho)z -0.1396007E-17 Laplacian 0.1695226E-01 (-1/4)Del**2(Rho)) -0.4238066E-02 Diamond 0.1227292E-03 Metallicity 0.4375942E+00 Ellipticity -0.3437356E+00 Gb(Abramov) 0.3134469E-02 Vb(Abramov) -0.2030873E-02 Hb(Abramov) 0.1103596E-02 Ex_ueg -0.4943113E-03 Ec_ueg -0.1109935E-03 Delta_ex -0.5930922E-03 Delta_ec 0.1395570E-03 Delta_et -0.8791391E-03 Pxc 0.4453516E+01 Qxc -0.4249820E+01 3,+3 145 3 -1 2.800535 -1.861856 -0.581485 Rho 0.1662449E+00 |GRAD(Rho)| 0.9514625E-09 GRAD(Rho)x 0.2920188E-09 GRAD(Rho)y 0.7058268E-09 GRAD(Rho)z -0.5672869E-09 Laplacian 0.6747977E+00 (-1/4)Del**2(Rho)) -0.1686994E+00 Diamond 0.1537936E+01 Metallicity 0.5132790E+01 Ellipticity 0.1447437E-01 Gb(Abramov) 0.2567827E+00 Vb(Abramov) -0.3448660E+00 Hb(Abramov) -0.8808331E-01 Ex_ueg -0.6751229E-01 Ec_ueg -0.9491406E-02 Delta_ex -0.7425405E-01 Delta_ec 0.1653868E-01 Delta_et -0.2227403E+00 Pxc 0.7112991E+01 Qxc -0.4489721E+01 3,-1 146 3 -1 1.681885 -1.776133 0.471673 Rho 0.4527091E-01 |GRAD(Rho)| 0.8277189E-16 GRAD(Rho)x 0.5877943E-16 GRAD(Rho)y -0.2267507E-16 GRAD(Rho)z -0.5368431E-16 Laplacian 0.1779039E+00 (-1/4)Del**2(Rho)) -0.4447597E-01 Diamond 0.7834871E-01 Metallicity 0.2227374E+01 Ellipticity 0.1134808E-01 Gb(Abramov) 0.4616141E-01 Vb(Abramov) -0.4784686E-01 Hb(Abramov) -0.1685446E-02 Ex_ueg -0.1191637E-01 Ec_ueg -0.2155184E-02 Delta_ex -0.1426151E-01 Delta_ec 0.5265966E-02 Delta_et -0.5408782E-01 Pxc 0.5529165E+01 Qxc -0.2708242E+01 3,-1 147 3 +1 3.028819 0.135455 -0.138615 Rho 0.5202347E-02 |GRAD(Rho)| 0.1378635E-15 GRAD(Rho)x 0.1801681E-16 GRAD(Rho)y 0.1008870E-15 GRAD(Rho)z -0.9221467E-16 Laplacian 0.2095617E-01 (-1/4)Del**2(Rho)) -0.5239044E-02 Diamond 0.4784786E-03 Metallicity 0.5136099E+00 Ellipticity -0.2335687E+01 Gb(Abramov) 0.3941166E-02 Vb(Abramov) -0.2643289E-02 Hb(Abramov) 0.1297877E-02 Ex_ueg -0.6657597E-03 Ec_ueg -0.1556310E-03 Delta_ex -0.1017368E-02 Delta_ec 0.6017221E-03 Delta_et -0.3330417E-02 Pxc 0.4277809E+01 Qxc -0.1690760E+01 3,+1 148 3 -1 1.805237 0.533237 2.791144 Rho 0.1570123E+00 |GRAD(Rho)| 0.2518708E-13 GRAD(Rho)x -0.1297654E-14 GRAD(Rho)y -0.2419907E-13 GRAD(Rho)z 0.6863684E-14 Laplacian 0.6485457E+00 (-1/4)Del**2(Rho)) -0.1621364E+00 Diamond 0.1376369E+01 Metallicity 0.4855441E+01 Ellipticity 0.9086465E-02 Gb(Abramov) 0.2392983E+00 Vb(Abramov) -0.3164601E+00 Hb(Abramov) -0.7716183E-01 Ex_ueg -0.6255998E-01 Ec_ueg -0.8893902E-02 Delta_ex -0.7032383E-01 Delta_ec 0.1606659E-01 Delta_et -0.2147061E+00 Pxc 0.7034030E+01 Qxc -0.4377021E+01 3,-1 149 3 -1 2.070671 0.847536 -3.077630 Rho 0.1378679E+00 |GRAD(Rho)| 0.4399133E-14 GRAD(Rho)x 0.2571646E-14 GRAD(Rho)y -0.3258109E-14 GRAD(Rho)z 0.1457303E-14 Laplacian 0.5509362E+00 (-1/4)Del**2(Rho)) -0.1377340E+00 Diamond 0.1031298E+01 Metallicity 0.4602039E+01 Ellipticity 0.1444722E-01 Gb(Abramov) 0.1974656E+00 Vb(Abramov) -0.2571972E+00 Hb(Abramov) -0.5973157E-01 Ex_ueg -0.5260203E-01 Ec_ueg -0.7671466E-02 Delta_ex -0.5820774E-01 Delta_ec 0.1471657E-01 Delta_et -0.1944135E+00 Pxc 0.6856842E+01 Qxc -0.3955252E+01 3,-1 150 3 +1 1.766095 1.752177 1.780207 Rho 0.1188220E-01 |GRAD(Rho)| 0.2436444E-16 GRAD(Rho)x -0.1902836E-17 GRAD(Rho)y -0.1237098E-16 GRAD(Rho)z 0.2090369E-16 Laplacian 0.5778766E-01 (-1/4)Del**2(Rho)) -0.1444691E-01 Diamond 0.2227751E-02 Metallicity 0.7378019E+00 Ellipticity -0.1256946E+01 Gb(Abramov) 0.1140777E-01 Vb(Abramov) -0.8368625E-02 Hb(Abramov) 0.3039145E-02 Ex_ueg -0.2002540E-02 Ec_ueg -0.4541339E-03 Delta_ex -0.2816538E-02 Delta_ec 0.7204436E-03 Delta_et -0.5411998E-02 Pxc 0.4409580E+01 Qxc -0.3909450E+01 3,+1 151 3 +1 1.883682 -1.872419 -1.780130 Rho 0.1254720E-01 |GRAD(Rho)| 0.1583907E-16 GRAD(Rho)x 0.2760290E-17 GRAD(Rho)y -0.6933822E-17 GRAD(Rho)z 0.1397064E-16 Laplacian 0.5668064E-01 (-1/4)Del**2(Rho)) -0.1417016E-01 Diamond 0.2427213E-02 Metallicity 0.8236765E+00 Ellipticity -0.1388632E+01 Gb(Abramov) 0.1139204E-01 Vb(Abramov) -0.8613930E-02 Hb(Abramov) 0.2778115E-02 Ex_ueg -0.2153349E-02 Ec_ueg -0.4848884E-03 Delta_ex -0.2822593E-02 Delta_ec 0.7419057E-03 Delta_et -0.5619286E-02 Pxc 0.4440916E+01 Qxc -0.3804517E+01 3,+1 152 3 +1 1.985916 -2.047914 2.052972 Rho 0.1247588E-01 |GRAD(Rho)| 0.2137151E-12 GRAD(Rho)x -0.1979756E-12 GRAD(Rho)y -0.5783184E-13 GRAD(Rho)z 0.5599368E-13 Laplacian 0.5912605E-01 (-1/4)Del**2(Rho)) -0.1478151E-01 Diamond 0.2003907E-02 Metallicity 0.7821436E+00 Ellipticity -0.1127816E+01 Gb(Abramov) 0.1178122E-01 Vb(Abramov) -0.8780927E-02 Hb(Abramov) 0.3000293E-02 Ex_ueg -0.2137044E-02 Ec_ueg -0.4815818E-03 Delta_ex -0.2800473E-02 Delta_ec 0.5249135E-03 Delta_et -0.4155961E-02 Pxc 0.4437552E+01 Qxc -0.5335114E+01 3,+1 153 3 -1 1.839252 2.804225 0.562698 Rho 0.1507327E+00 |GRAD(Rho)| 0.1036455E-11 GRAD(Rho)x 0.7439848E-12 GRAD(Rho)y -0.2043867E-12 GRAD(Rho)z -0.6920631E-12 Laplacian 0.6305694E+00 (-1/4)Del**2(Rho)) -0.1576424E+00 Diamond 0.1277207E+01 Metallicity 0.4665443E+01 Ellipticity 0.1104005E-01 Gb(Abramov) 0.2276735E+00 Vb(Abramov) -0.2977046E+00 Hb(Abramov) -0.7003112E-01 Ex_ueg -0.5924638E-01 Ec_ueg -0.8490436E-02 Delta_ex -0.6771782E-01 Delta_ec 0.1583575E-01 Delta_et -0.2106134E+00 Pxc 0.6978014E+01 Qxc -0.4276262E+01 3,-1 154 3 -1 2.032753 3.026063 -0.858052 Rho 0.1627497E+00 |GRAD(Rho)| 0.4552036E-13 GRAD(Rho)x -0.3584172E-13 GRAD(Rho)y -0.1982153E-13 GRAD(Rho)z -0.1986407E-13 Laplacian 0.6312458E+00 (-1/4)Del**2(Rho)) -0.1578114E+00 Diamond 0.1408344E+01 Metallicity 0.5296003E+01 Ellipticity 0.3825308E-01 Gb(Abramov) 0.2445026E+00 Vb(Abramov) -0.3311938E+00 Hb(Abramov) -0.8669117E-01 Ex_ueg -0.6562640E-01 Ec_ueg -0.9264611E-02 Delta_ex -0.6914763E-01 Delta_ec 0.1565021E-01 Delta_et -0.2104838E+00 Pxc 0.7083557E+01 Qxc -0.4418320E+01 3,-1 155 3 -1 1.714683 1.726267 -0.553047 Rho 0.3910052E-01 |GRAD(Rho)| 0.7803887E-13 GRAD(Rho)x -0.5373909E-13 GRAD(Rho)y 0.5320568E-13 GRAD(Rho)z 0.1926993E-13 Laplacian 0.1522507E+00 (-1/4)Del**2(Rho)) -0.3806266E-01 Diamond 0.5392514E-01 Metallicity 0.2038723E+01 Ellipticity 0.1928179E-01 Gb(Abramov) 0.3830831E-01 Vb(Abramov) -0.3855396E-01 Hb(Abramov) -0.2456471E-03 Ex_ueg -0.9801556E-02 Ec_ueg -0.1821901E-02 Delta_ex -0.1170715E-01 Delta_ec 0.4402917E-02 Delta_et -0.4347543E-01 Pxc 0.5379850E+01 Qxc -0.2658954E+01 3,-1 156 3 -1 0.879188 3.003310 -2.015754 Rho 0.1011476E+00 |GRAD(Rho)| 0.1483297E-15 GRAD(Rho)x 0.8884359E-16 GRAD(Rho)y -0.8536059E-16 GRAD(Rho)z 0.8259588E-16 Laplacian 0.4179347E+00 (-1/4)Del**2(Rho)) -0.1044837E+00 Diamond 0.5460435E+00 Metallicity 0.3620463E+01 Ellipticity 0.6460691E-02 Gb(Abramov) 0.1327023E+00 Vb(Abramov) -0.1609210E+00 Hb(Abramov) -0.2821864E-01 Ex_ueg -0.3480640E-01 Ec_ueg -0.5394622E-02 Delta_ex -0.4115812E-01 Delta_ec 0.1219756E-01 Delta_et -0.1525746E+00 Pxc 0.6452056E+01 Qxc -0.3374293E+01 3,-1 157 3 -1 2.790573 0.558754 1.814729 Rho 0.1516836E+00 |GRAD(Rho)| 0.1025134E-11 GRAD(Rho)x -0.1822958E-12 GRAD(Rho)y -0.6690186E-12 GRAD(Rho)z 0.7550384E-12 Laplacian 0.6293194E+00 (-1/4)Del**2(Rho)) -0.1573299E+00 Diamond 0.1287238E+01 Metallicity 0.4723964E+01 Ellipticity 0.2064643E-01 Gb(Abramov) 0.2287567E+00 Vb(Abramov) -0.3001835E+00 Hb(Abramov) -0.7142682E-01 Ex_ueg -0.5974525E-01 Ec_ueg -0.8551379E-02 Delta_ex -0.6771688E-01 Delta_ec 0.1583031E-01 Delta_et -0.2108405E+00 Pxc 0.6986622E+01 Qxc -0.4277674E+01 3,-1 158 3 -1 3.078902 0.856398 -1.979976 Rho 0.1094075E+00 |GRAD(Rho)| 0.7286329E-16 GRAD(Rho)x 0.4032554E-16 GRAD(Rho)y 0.5236696E-16 GRAD(Rho)z -0.3066937E-16 Laplacian 0.4582087E+00 (-1/4)Del**2(Rho)) -0.1145522E+00 Diamond 0.6569001E+00 Metallicity 0.3763815E+01 Ellipticity 0.9115324E-02 Gb(Abramov) 0.1482270E+00 Vb(Abramov) -0.1819018E+00 Hb(Abramov) -0.3367481E-01 Ex_ueg -0.3864688E-01 Ec_ueg -0.5898366E-02 Delta_ex -0.4593463E-01 Delta_ec 0.1311291E-01 Delta_et -0.1665757E+00 Pxc 0.6552134E+01 Qxc -0.3503008E+01 3,-1 159 3 -1 3.173039 -3.265943 -0.075867 Rho 0.2261506E+00 |GRAD(Rho)| 0.4189914E-15 GRAD(Rho)x -0.2153768E-15 GRAD(Rho)y 0.3571904E-15 GRAD(Rho)z 0.3976989E-16 Laplacian 0.8337784E+00 (-1/4)Del**2(Rho)) -0.2084446E+00 Diamond 0.2746864E+01 Metallicity 0.6937858E+01 Ellipticity 0.8036237E-02 Gb(Abramov) 0.3799896E+00 Vb(Abramov) -0.5515346E+00 Hb(Abramov) -0.1715450E+00 Ex_ueg -0.1017612E+00 Ec_ueg -0.1348700E-01 Delta_ex -0.9919990E-01 Delta_ec 0.1875797E-01 Delta_et -0.2592507E+00 Pxc 0.7545129E+01 Qxc -0.5288413E+01 3,-1 160 3 -1 2.871037 -0.593223 -1.822127 Rho 0.9825739E-01 |GRAD(Rho)| 0.1304462E-13 GRAD(Rho)x 0.1759206E-14 GRAD(Rho)y 0.6884582E-14 GRAD(Rho)z -0.1093938E-13 Laplacian 0.4225351E+00 (-1/4)Del**2(Rho)) -0.1056338E+00 Diamond 0.5339828E+00 Metallicity 0.3412132E+01 Ellipticity 0.3447097E-01 Gb(Abramov) 0.1304952E+00 Vb(Abramov) -0.1553567E+00 Hb(Abramov) -0.2486147E-01 Ex_ueg -0.3348668E-01 Ec_ueg -0.5219612E-02 Delta_ex -0.4135052E-01 Delta_ec 0.1243749E-01 Delta_et -0.1546804E+00 Pxc 0.6415548E+01 Qxc -0.3324668E+01 3,-1 161 3 -1 2.933766 -2.037169 0.838032 Rho 0.1038692E+00 |GRAD(Rho)| 0.1222621E-13 GRAD(Rho)x 0.1018156E-13 GRAD(Rho)y -0.6509106E-14 GRAD(Rho)z -0.1856798E-14 Laplacian 0.4087413E+00 (-1/4)Del**2(Rho)) -0.1021853E+00 Diamond 0.5295817E+00 Metallicity 0.3869394E+01 Ellipticity 0.9396428E-02 Gb(Abramov) 0.1340228E+00 Vb(Abramov) -0.1658602E+00 Hb(Abramov) -0.3183744E-01 Ex_ueg -0.3606072E-01 Ec_ueg -0.5560027E-02 Delta_ex -0.4014534E-01 Delta_ec 0.1122687E-01 Delta_et -0.1404049E+00 Pxc 0.6485709E+01 Qxc -0.3575826E+01 3,-1 162 3 -1 3.039087 2.004466 -0.810198 Rho 0.1559269E+00 |GRAD(Rho)| 0.5683684E-12 GRAD(Rho)x 0.2685812E-12 GRAD(Rho)y -0.3211620E-12 GRAD(Rho)z -0.3843980E-12 Laplacian 0.6143424E+00 (-1/4)Del**2(Rho)) -0.1535856E+00 Diamond 0.1300509E+01 Metallicity 0.5066846E+01 Ellipticity 0.2689342E-01 Gb(Abramov) 0.2320895E+00 Vb(Abramov) -0.3105934E+00 Hb(Abramov) -0.7850391E-01 Ex_ueg -0.6198403E-01 Ec_ueg -0.8823994E-02 Delta_ex -0.6657203E-01 Delta_ec 0.1537344E-01 Delta_et -0.2055748E+00 Pxc 0.7024486E+01 Qxc -0.4330328E+01 3,-1 163 3 -1 2.796025 1.815364 0.570365 Rho 0.1203842E+00 |GRAD(Rho)| 0.1561899E-09 GRAD(Rho)x 0.3448691E-10 GRAD(Rho)y -0.1130688E-09 GRAD(Rho)z 0.1020851E-09 Laplacian 0.4990097E+00 (-1/4)Del**2(Rho)) -0.1247524E+00 Diamond 0.7771782E+00 Metallicity 0.4053092E+01 Ellipticity 0.8691750E-02 Gb(Abramov) 0.1674404E+00 Vb(Abramov) -0.2101285E+00 Hb(Abramov) -0.4268802E-01 Ex_ueg -0.4390131E-01 Ec_ueg -0.6575607E-02 Delta_ex -0.5081944E-01 Delta_ec 0.1336889E-01 Delta_et -0.1719590E+00 Pxc 0.6676389E+01 Qxc -0.3801320E+01 3,-1 164 3 -1 3.225715 3.225834 0.079941 Rho 0.2321653E+00 |GRAD(Rho)| 0.1078309E-15 GRAD(Rho)x -0.6510634E-16 GRAD(Rho)y -0.6716632E-16 GRAD(Rho)z -0.5364090E-16 Laplacian 0.8458939E+00 (-1/4)Del**2(Rho)) -0.2114735E+00 Diamond 0.2880215E+01 Metallicity 0.7144295E+01 Ellipticity 0.3863438E-02 Gb(Abramov) 0.3927871E+00 Vb(Abramov) -0.5741008E+00 Hb(Abramov) -0.1813137E+00 Ex_ueg -0.1053856E+00 Ec_ueg -0.1389920E-01 Delta_ex -0.1013523E+00 Delta_ec 0.1892616E-01 Delta_et -0.2620643E+00 Pxc 0.7582135E+01 Qxc -0.5355141E+01 3,-1 165 3 -1 2.962921 -0.875719 2.014942 Rho 0.1556978E+00 |GRAD(Rho)| 0.4012931E-15 GRAD(Rho)x 0.8218252E-16 GRAD(Rho)y 0.3179152E-15 GRAD(Rho)z 0.2306776E-15 Laplacian 0.6152020E+00 (-1/4)Del**2(Rho)) -0.1538005E+00 Diamond 0.1295158E+01 Metallicity 0.5047381E+01 Ellipticity 0.5135963E-01 Gb(Abramov) 0.2319153E+00 Vb(Abramov) -0.3100301E+00 Hb(Abramov) -0.7811478E-01 Ex_ueg -0.6186261E-01 Ec_ueg -0.8809245E-02 Delta_ex -0.6659475E-01 Delta_ec 0.1531818E-01 Delta_et -0.2045948E+00 Pxc 0.7022464E+01 Qxc -0.4347432E+01 3,-1 166 3 -1 3.202949 0.047310 3.208209 Rho 0.2310061E+00 |GRAD(Rho)| 0.7561724E-14 GRAD(Rho)x 0.5647338E-14 GRAD(Rho)y 0.4998240E-14 GRAD(Rho)z -0.5521300E-15 Laplacian 0.8458229E+00 (-1/4)Del**2(Rho)) -0.2114557E+00 Diamond 0.2860100E+01 Metallicity 0.7085538E+01 Ellipticity 0.5622764E-02 Gb(Abramov) 0.3906834E+00 Vb(Abramov) -0.5699111E+00 Hb(Abramov) -0.1792277E+00 Ex_ueg -0.1046847E+00 Ec_ueg -0.1381961E-01 Delta_ex -0.1011975E+00 Delta_ec 0.1892637E-01 Delta_et -0.2619003E+00 Pxc 0.7575081E+01 Qxc -0.5346905E+01 3,-1 167 3 -1 3.384498 0.003119 -3.245488 Rho 0.2079713E+00 |GRAD(Rho)| 0.1374459E-10 GRAD(Rho)x 0.1047327E-10 GRAD(Rho)y -0.1553274E-11 GRAD(Rho)z -0.8764230E-11 Laplacian 0.7758218E+00 (-1/4)Del**2(Rho)) -0.1939554E+00 Diamond 0.2316123E+01 Metallicity 0.6484208E+01 Ellipticity 0.4617357E-02 Gb(Abramov) 0.3389115E+00 Vb(Abramov) -0.4838676E+00 Hb(Abramov) -0.1449561E+00 Ex_ueg -0.9100312E-01 Ec_ueg -0.1225323E-01 Delta_ex -0.9036331E-01 Delta_ec 0.1793360E-01 Delta_et -0.2468291E+00 Pxc 0.7426868E+01 Qxc -0.5038770E+01 3,-1 168 3 +1 -2.264565 -1.066030 -1.457936 Rho 0.2770648E-01 |GRAD(Rho)| 0.1241809E-14 GRAD(Rho)x -0.5078062E-15 GRAD(Rho)y 0.6047883E-15 GRAD(Rho)z -0.9583601E-15 Laplacian 0.1087844E+00 (-1/4)Del**2(Rho)) -0.2719610E-01 Diamond 0.1471649E-01 Metallicity 0.1606998E+01 Ellipticity -0.2602201E+01 Gb(Abramov) 0.2541475E-01 Vb(Abramov) -0.2363339E-01 Hb(Abramov) 0.1781354E-02 Ex_ueg -0.6191940E-02 Ec_ueg -0.1225923E-02 Delta_ex -0.6796147E-02 Delta_ec 0.1562803E-02 Delta_et -0.1418728E-01 Pxc 0.5050839E+01 Qxc -0.4348690E+01 3,+1 169 3 -1 -3.043951 1.973792 0.893549 Rho 0.8980295E-01 |GRAD(Rho)| 0.1286119E-13 GRAD(Rho)x -0.1092963E-13 GRAD(Rho)y 0.6564614E-14 GRAD(Rho)z -0.1690942E-14 Laplacian 0.3732788E+00 (-1/4)Del**2(Rho)) -0.9331970E-01 Diamond 0.4232910E+00 Metallicity 0.3324535E+01 Ellipticity 0.3565417E-02 Gb(Abramov) 0.1139206E+00 Vb(Abramov) -0.1345214E+00 Hb(Abramov) -0.2060087E-01 Ex_ueg -0.2970110E-01 Ec_ueg -0.4711609E-02 Delta_ex -0.3579133E-01 Delta_ec 0.1120382E-01 Delta_et -0.1366955E+00 Pxc 0.6303813E+01 Qxc -0.3194564E+01 3,-1 170 3 -1 -2.817743 -1.775291 0.595805 Rho 0.1511104E+00 |GRAD(Rho)| 0.4904902E-13 GRAD(Rho)x 0.2085685E-13 GRAD(Rho)y 0.3644437E-13 GRAD(Rho)z 0.2534968E-13 Laplacian 0.6339346E+00 (-1/4)Del**2(Rho)) -0.1584836E+00 Diamond 0.1290778E+01 Metallicity 0.4660071E+01 Ellipticity 0.2058301E-01 Gb(Abramov) 0.2287466E+00 Vb(Abramov) -0.2990095E+00 Hb(Abramov) -0.7026295E-01 Ex_ueg -0.5944437E-01 Ec_ueg -0.8514632E-02 Delta_ex -0.6814970E-01 Delta_ec 0.1596120E-01 Delta_et -0.2124736E+00 Pxc 0.6981438E+01 Qxc -0.4269712E+01 3,-1 171 3 -1 -2.035951 3.023869 0.866640 Rho 0.1104757E+00 |GRAD(Rho)| 0.5244842E-14 GRAD(Rho)x 0.4273857E-14 GRAD(Rho)y -0.1977524E-14 GRAD(Rho)z 0.2309093E-14 Laplacian 0.4506450E+00 (-1/4)Del**2(Rho)) -0.1126613E+00 Diamond 0.6464768E+00 Metallicity 0.3889467E+01 Ellipticity 0.9046844E-02 Gb(Abramov) 0.1481395E+00 Vb(Abramov) -0.1836178E+00 Hb(Abramov) -0.3547829E-01 Ex_ueg -0.3915083E-01 Ec_ueg -0.5963891E-02 Delta_ex -0.4517127E-01 Delta_ec 0.1267648E-01 Delta_et -0.1610711E+00 Pxc 0.6564645E+01 Qxc -0.3563391E+01 3,-1 172 3 -1 -1.831397 2.832819 -0.605045 Rho 0.1322982E+00 |GRAD(Rho)| 0.2024735E-15 GRAD(Rho)x -0.2618348E-16 GRAD(Rho)y 0.2190766E-16 GRAD(Rho)z -0.1995745E-15 Laplacian 0.5544283E+00 (-1/4)Del**2(Rho)) -0.1386071E+00 Diamond 0.9920763E+00 Metallicity 0.4269307E+01 Ellipticity 0.2007831E-01 Gb(Abramov) 0.1910308E+00 Vb(Abramov) -0.2434544E+00 Hb(Abramov) -0.5242368E-01 Ex_ueg -0.4978786E-01 Ec_ueg -0.7320164E-02 Delta_ex -0.5804995E-01 Delta_ec 0.1504855E-01 Delta_et -0.1976394E+00 Pxc 0.6801468E+01 Qxc -0.3857511E+01 3,-1 173 3 -1 -0.569432 -0.510740 -0.510874 Rho 0.1873953E+00 |GRAD(Rho)| 0.4918790E-16 GRAD(Rho)x -0.2775558E-16 GRAD(Rho)y 0.1387779E-16 GRAD(Rho)z -0.3816392E-16 Laplacian 0.4942097E+00 (-1/4)Del**2(Rho)) -0.1235524E+00 Diamond 0.1316941E+01 Metallicity 0.8556569E+01 Ellipticity 0.2465044E-01 Gb(Abramov) 0.2585657E+00 Vb(Abramov) -0.3935791E+00 Hb(Abramov) -0.1350133E+00 Ex_ueg -0.7920086E-01 Ec_ueg -0.1087896E-01 Delta_ex -0.5616598E-01 Delta_ec 0.1195362E-01 Delta_et -0.1637398E+00 Pxc 0.7280184E+01 Qxc -0.4698660E+01 3,-1 174 3 -1 0.580110 2.812137 1.822295 Rho 0.1188339E+00 |GRAD(Rho)| 0.2139954E-14 GRAD(Rho)x -0.1476128E-14 GRAD(Rho)y -0.2551602E-15 GRAD(Rho)z 0.1528183E-14 Laplacian 0.5115163E+00 (-1/4)Del**2(Rho)) -0.1278791E+00 Diamond 0.8133150E+00 Metallicity 0.3869498E+01 Ellipticity 0.1475564E-01 Gb(Abramov) 0.1677240E+00 Vb(Abramov) -0.2075689E+00 Hb(Abramov) -0.3984493E-01 Ex_ueg -0.4314917E-01 Ec_ueg -0.6479441E-02 Delta_ex -0.5232627E-01 Delta_ec 0.1444850E-01 Delta_et -0.1865625E+00 Pxc 0.6659396E+01 Qxc -0.3621572E+01 3,-1 175 3 -1 0.405308 0.432531 -0.507099 Rho 0.1807959E+00 |GRAD(Rho)| 0.1540294E-15 GRAD(Rho)x 0.1040834E-16 GRAD(Rho)y 0.1353084E-15 GRAD(Rho)z 0.7285839E-16 Laplacian 0.4739673E+00 (-1/4)Del**2(Rho)) -0.1184918E+00 Diamond 0.1222548E+01 Metallicity 0.8404514E+01 Ellipticity 0.4595580E-02 Gb(Abramov) 0.2449723E+00 Vb(Abramov) -0.3714527E+00 Hb(Abramov) -0.1264804E+00 Ex_ueg -0.7550400E-01 Ec_ueg -0.1044326E-01 Delta_ex -0.5348035E-01 Delta_ec 0.1175024E-01 Delta_et -0.1608846E+00 Pxc 0.7229929E+01 Qxc -0.4551427E+01 3,-1 176 3 -1 0.826601 -1.990260 3.016120 Rho 0.1433602E+00 |GRAD(Rho)| 0.6060352E-15 GRAD(Rho)x 0.5713881E-15 GRAD(Rho)y 0.1727405E-15 GRAD(Rho)z 0.1046662E-15 Laplacian 0.5641640E+00 (-1/4)Del**2(Rho)) -0.1410410E+00 Diamond 0.1080308E+01 Metallicity 0.4796477E+01 Ellipticity 0.4941259E-01 Gb(Abramov) 0.2067773E+00 Vb(Abramov) -0.2725136E+00 Hb(Abramov) -0.6573631E-01 Ex_ueg -0.5541449E-01 Ec_ueg -0.8019838E-02 Delta_ex -0.5989136E-01 Delta_ec 0.1442855E-01 Delta_et -0.1907330E+00 Pxc 0.6909677E+01 Qxc -0.4150894E+01 3,-1 177 3 -1 1.182911 -2.358168 -2.024813 Rho 0.3233276E-01 |GRAD(Rho)| 0.4530453E-14 GRAD(Rho)x 0.3526765E-14 GRAD(Rho)y -0.1345219E-14 GRAD(Rho)z 0.2505458E-14 Laplacian 0.1017276E+00 (-1/4)Del**2(Rho)) -0.2543190E-01 Diamond 0.4116889E-01 Metallicity 0.2222861E+01 Ellipticity 0.2128741E-01 Gb(Abramov) 0.2637653E-01 Vb(Abramov) -0.2732116E-01 Hb(Abramov) -0.9446292E-03 Ex_ueg -0.7607502E-02 Ec_ueg -0.1464550E-02 Delta_ex -0.8492045E-02 Delta_ec 0.4781884E-02 Delta_et -0.4481920E-01 Pxc 0.5194431E+01 Qxc -0.1775878E+01 3,-1 178 3 -1 1.195101 -1.812807 -2.675933 Rho 0.3215899E+00 |GRAD(Rho)| 0.4517834E-15 GRAD(Rho)x 0.5558400E-16 GRAD(Rho)y -0.2916504E-15 GRAD(Rho)z 0.3405272E-15 Laplacian -0.1618003E+01 (-1/4)Del**2(Rho)) 0.4045007E+00 Diamond 0.5692126E+01 Metallicity -0.6428917E+01 Ellipticity 0.2824005E-02 Gb(Abramov) 0.1637498E+00 Vb(Abramov) -0.7320003E+00 Hb(Abramov) -0.5682505E+00 Ex_ueg -0.1627252E+00 Ec_ueg -0.2026198E-01 Delta_ex 0.1614258E+00 Delta_ec 0.5647453E-01 Delta_et -0.1343230E+01 Pxc 0.8031060E+01 Qxc 0.2858382E+01 3,-1 179 3 -1 2.011284 -0.667301 -2.921206 Rho 0.1304049E+00 |GRAD(Rho)| 0.2289232E-13 GRAD(Rho)x -0.2017429E-13 GRAD(Rho)y -0.4522858E-14 GRAD(Rho)z 0.9828537E-14 Laplacian 0.5157673E+00 (-1/4)Del**2(Rho)) -0.1289418E+00 Diamond 0.9199483E+00 Metallicity 0.4480393E+01 Ellipticity 0.1069251E+00 Gb(Abramov) 0.1822462E+00 Vb(Abramov) -0.2355506E+00 Hb(Abramov) -0.5330439E-01 Ex_ueg -0.4884016E-01 Ec_ueg -0.7201212E-02 Delta_ex -0.5397080E-01 Delta_ec 0.1432325E-01 Delta_et -0.1881567E+00 Pxc 0.6782214E+01 Qxc -0.3768056E+01 3,-1 180 3 -1 1.967316 -0.856467 3.008447 Rho 0.1262347E+00 |GRAD(Rho)| 0.1302251E-13 GRAD(Rho)x 0.7828936E-14 GRAD(Rho)y 0.9163067E-14 GRAD(Rho)z -0.4932734E-14 Laplacian 0.4913266E+00 (-1/4)Del**2(Rho)) -0.1228316E+00 Diamond 0.8113986E+00 Metallicity 0.4455270E+01 Ellipticity 0.2685254E-01 Gb(Abramov) 0.1730958E+00 Vb(Abramov) -0.2233600E+00 Hb(Abramov) -0.5026415E-01 Ex_ueg -0.4676885E-01 Ec_ueg -0.6940035E-02 Delta_ex -0.5062425E-01 Delta_ec 0.1304528E-01 Delta_et -0.1692105E+00 Pxc 0.6738993E+01 Qxc -0.3880656E+01 3,-1 181 3 -1 1.787435 -2.893315 -0.586398 Rho 0.2030512E+00 |GRAD(Rho)| 0.4374852E-15 GRAD(Rho)x 0.4748806E-16 GRAD(Rho)y 0.2719179E-15 GRAD(Rho)z 0.3394095E-15 Laplacian 0.7888914E+00 (-1/4)Del**2(Rho)) -0.1972229E+00 Diamond 0.2263184E+01 Metallicity 0.6127339E+01 Ellipticity 0.6588430E-03 Gb(Abramov) 0.3328905E+00 Vb(Abramov) -0.4685581E+00 Hb(Abramov) -0.1356676E+00 Ex_ueg -0.8814396E-01 Ec_ueg -0.1192246E-01 Delta_ex -0.9115633E-01 Delta_ec 0.1805836E-01 Delta_et -0.2470478E+00 Pxc 0.7393099E+01 Qxc -0.5047875E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 126 113 124 176 134 122 131 173 175 118 121 99 114 142 156 130 107 141 174 111 117 129 146 145 181 161 135 159 155 163 153 162 154 164 95 81 172 169 171 70 61 170 94 66 93 63 60 78 90 69 85 56 55 74 89 80 92 76 143 157 148 165 180 166 109 160 179 158 149 167 98 100 73 77 178 108 177 123 102 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 17 21 21 22 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 19 36 52 24 52 53 53 2.378833 1.941273 1.911629 1.942436 1.920460 1.756339 1.725489 1.695948 1.711212 1.719872 2.418969 1.998015 1.975088 2.022430 2.072341 1.798699 2.412611 2.035079 1.999627 2.053767 1.948804 1.800505 2.411303 1.876742 1.806744 2.074245 2.034614 1.766054 2.473144 2.001140 1.913220 1.909559 1.892906 1.756106 2.427671 1.934031 1.961748 2.120002 2.042799 1.808243 2.332779 1.909936 2.002807 1.884154 1.963114 1.754802 2.414216 2.027861 1.912789 2.074060 1.780780 1.771330 2.397316 1.988067 1.965852 1.875058 1.897466 1.756805 2.441162 1.909603 1.899300 1.911119 1.993724 1.757859 2.499671 2.075050 1.981014 2.040952 1.954965 1.798581 3.372304 3.111515 3.189200 3.405641 0.992232 3.229230 1.845988 1.835531 0.999290 2.380486 1.941698 1.912180 1.942999 1.921018 1.756348 1.725500 1.696013 1.711228 1.719884 2.420988 1.998316 1.975282 2.022716 2.072622 1.798702 2.414943 2.035299 1.999880 2.054050 1.949091 1.800510 2.412750 1.876986 1.806886 2.074696 2.035106 1.766072 2.474839 2.001544 1.913608 1.910075 1.893326 1.756117 2.429302 1.934272 1.961903 2.120287 2.043061 1.808253 2.335018 1.910450 2.003224 1.884709 1.964180 1.754821 2.416357 2.028104 1.913076 2.074517 1.780904 1.771352 2.399177 1.988495 1.966331 1.875476 1.897885 1.756816 2.442715 1.910053 1.899642 1.911678 1.994233 1.757868 2.501825 2.075270 1.982157 2.041246 1.955246 1.798587 3.616241 3.113708 3.192321 3.407552 0.992300 3.234330 1.853784 1.837202 0.999385 27 28 25 26 24 21 22 23 21 22 27 29 24 24 28 23 32 25 25 28 24 24 29 26 25 26 25 24 29 28 25 26 25 23 31 26 26 26 25 26 30 25 29 27 29 23 30 26 29 26 26 25 30 27 29 29 29 23 27 26 26 25 25 23 31 26 25 24 25 24 39 37 35 37 18 37 27 25 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As Ta Ta W W Ta W W W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.4345 2.4579 2.1926 2.2044 2.3647 2.4185 2.1729 2.4361 2.3277 2.4242 2.4259 2.1805 -1.1172 -1.0129 -1.0986 -1.1128 -0.9649 -0.9869 -1.0119 -0.9739 -0.8608 -0.9805 -1.0074 -0.9716 -1.0237 -0.9726 -0.9900 -0.9182 -0.9992 -0.9896 -1.0059 -0.9856 -0.9937 -1.0456 -0.9996 -0.8605 -0.8371 -1.0462 -0.9970 -0.9985 -0.8510 -0.9579 -0.9551 -0.9584 -0.8793 -0.8563 -0.9777 -0.8416 -0.8908 -0.8544 -0.8597 0.2890 0.3157 2.0973 0.8502 2.1163 2.1073 2.1222 2.1124 2.1175 2.1185 2.1400 2.1067 2.1013 2.1223 1.9345 1.9498 1.9379 1.9333 1.9295 1.9291 1.9255 1.9287 1.8660 1.9285 1.9251 1.9285 1.9223 1.9284 1.9270 1.9544 1.9370 1.9380 1.9345 1.9387 1.9362 1.9283 1.9363 1.9481 1.8731 1.9289 1.9364 1.9358 1.9554 1.9382 1.9392 1.9383 1.9519 1.9560 1.9360 1.9561 1.9480 1.9553 1.9546 0.5648 0.5406 6.0950 1.1472 6.0882 6.0757 6.1141 6.1033 6.0841 6.0988 6.1186 6.0956 6.0979 6.0885 5.1458 5.0260 5.1262 5.1440 5.0059 5.0301 5.0618 5.0165 4.9676 5.0252 5.0554 5.0147 5.0770 5.0149 5.0362 4.9329 5.0341 5.0211 5.0433 5.0182 5.0275 5.0926 5.0341 4.8832 4.9346 5.0924 5.0312 5.0340 4.8631 4.9941 4.9903 4.9946 4.8964 4.8679 5.0171 4.8530 4.9126 4.8668 4.8728 0.1462 0.1438 3.3433 10.5446 2.5685 2.5780 3.3699 3.3362 2.5910 3.3171 3.3844 3.3437 3.3452 2.5750 0.0369 0.0371 0.0346 0.0355 0.0294 0.0277 0.0246 0.0287 0.0273 0.0268 0.0270 0.0284 0.0244 0.0294 0.0268 0.0309 0.0281 0.0305 0.0282 0.0288 0.0299 0.0248 0.0292 0.0292 0.0293 0.0248 0.0294 0.0287 0.0324 0.0257 0.0257 0.0256 0.0310 0.0324 0.0246 0.0325 0.0302 0.0323 0.0322 0.0000 0.0000 14.0299 0.0000 14.0344 14.0346 14.0291 14.0296 14.0345 14.0294 14.0292 14.0297 14.0297 14.0337 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W As Ta Ta W W Ta W W W W Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.502459 2.308459 2.365321 2.361715 2.471755 2.498226 2.347265 2.520497 2.483328 2.498684 2.495534 2.359702 -1.091407 -1.026430 -1.096612 -1.099852 -0.983731 -1.007476 -1.051348 -0.993644 -0.702808 -1.011402 -1.026738 -0.993546 -1.061522 -0.986323 -1.015444 -0.826141 -1.002243 -0.976892 -1.015353 -1.000349 -0.992861 -1.059417 -1.006102 -0.924027 -0.654825 -1.065880 -0.994926 -1.007773 -0.900377 -1.049967 -1.045855 -1.049968 -0.937668 -0.905756 -1.077751 -0.887724 -0.953373 -0.904179 -0.910907 0.033144 0.052507 1.918957 1.728762 1.845680 1.840469 1.895827 1.933898 1.821016 1.952989 1.929744 1.930726 1.922311 1.867678 -0.709572 -0.682635 -0.723411 -0.722103 -0.733614 -0.789812 -0.788723 -0.749506 -0.913768 -0.772094 -0.783124 -0.741509 -0.820590 -0.736087 -0.770512 -0.678809 -0.844255 -0.812361 -0.846367 -0.857640 -0.830735 -0.883123 -0.854772 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22:13:49 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:13:52 Nodes: 1 Procs: 1 Jun19-2024 22:13:55 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:13:59 Nodes: 1 Procs: 1 Jun19-2024 22:14:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:14:03 Nodes: 1 Procs: 1 Jun19-2024 22:14:05 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 22:14:11 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -16.83540379 -17.15904450 -17.14891953 -17.02005017 -17.16899547 -17.26564593 -17.26719022 -17.27963888 -17.28615970 -17.28648534 -17.29190060 -17.29698591 -17.30302334 -17.30660039 -17.30845724 -17.30707479 -17.31156820 -17.31214398 -17.31234605 -17.31248757 -17.31253238 -17.31257083 -17.31262222 -17.31264764 -17.31266510 GEOMETRY CONVERGED