ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:39:56 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 1.24 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Jun20-2024 06:39:56 Nodes: 1 Procs: 1 Jun20-2024 06:39:58 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:40:01 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 1.71 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun20-2024 06:39:56 Nodes: 1 Procs: 1 Jun20-2024 06:39:58 Nodes: 1 Procs: 1 0 Jun20-2024 06:40:01 Nodes: 1 Procs: 1 Jun20-2024 06:40:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:40:05 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.83 0.04 2.50 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 06:39:56 Nodes: 1 Procs: 1 Jun20-2024 06:39:58 Nodes: 1 Procs: 1 0 Jun20-2024 06:40:01 Nodes: 1 Procs: 1 Jun20-2024 06:40:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:40:05 Nodes: 1 Procs: 1 Jun20-2024 06:40:08 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:40:11 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 1.36 1 2 3 1 2 3 1 2.000 0.000 0.000 4.000 0.000 0.000 0.000 -24.020 24.654 804.880 -9.089 9.585 104.336 29.005 S S S P P P D S P P S D P S 1 1 2 2 1 3 3 2.00 4.00 0.00 0.00 0.00 0.00 0.00 -24.0201 -9.0888 9.5852 24.6539 29.0045 104.3364 804.8804 1 O -0.0000 2.0000 4.0000 0.0000 0.0000 Jun20-2024 06:39:56 Nodes: 1 Procs: 1 Jun20-2024 06:39:58 Nodes: 1 Procs: 1 0 Jun20-2024 06:40:01 Nodes: 1 Procs: 1 Jun20-2024 06:40:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:40:05 Nodes: 1 Procs: 1 Jun20-2024 06:40:08 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:40:11 Nodes: 1 Procs: 1 Jun20-2024 06:40:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:40:15 Hydrogen (TZP) c11-43 c11-43 c11-43 c11-43 c11-43 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.82 0.05 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 Jun20-2024 06:39:56 Nodes: 1 Procs: 1 Jun20-2024 06:39:58 Nodes: 1 Procs: 1 0 Jun20-2024 06:40:01 Nodes: 1 Procs: 1 Jun20-2024 06:40:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:40:05 Nodes: 1 Procs: 1 Jun20-2024 06:40:08 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:40:11 Nodes: 1 Procs: 1 Jun20-2024 06:40:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 06:40:15 Nodes: 1 Procs: 1 Jun20-2024 06:40:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 06:40:22 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2706.6777000000056 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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 Jun20-2024 06:40:17 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun20-2024 06:40:03 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun20-2024 06:40:08 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun20-2024 06:40:13 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun20-2024 06:39:58 1 1 Hydrogen TZP 1 1 -17.04712364 0.23341829 0.00100000 F 0.08846009 0.00066667 F 0.23341829 0.08846009 0.27536745 0.01000000 F 0.07251709 0.00666667 F Cartesian 2706.6777000000056 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1141.168126 916.275873 1.000000 298.150000 84995.2854 86916.4107 96843.4251 1 NOSYM 298.15 49.554 41.788 233.284 324.626 0.889 0.889 137.617 139.394 2.981 2.981 222.377 228.338 2706.6777000000056 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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 -5.354 -5.323 -5.265 -5.247 -5.223 -5.206 -5.127 -5.077 -4.959 -4.895 -1.832 -1.631 -1.581 -1.431 -1.299 -1.290 -1.106 -1.075 -0.928 -0.884 A A A A A A A A A A A A A A A A A A A A 0.00000000060864 0.00041412969268 0.00030580255583 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 74 74 74 74 74 74 33 73 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 1 0.077577 -2.551626 2.562923 2.523081 -2.610566 0.036150 2.544318 2.576633 -0.112901 -2.558331 2.595583 0.156551 -2.694007 -0.083694 -2.514761 2.570894 -0.115535 2.556720 -0.082736 -0.022308 -0.034487 0.117467 2.462628 -2.600332 -0.117866 2.561889 2.618780 -2.641074 -2.551561 -0.086776 -2.608335 0.129636 2.627331 2.683754 0.084926 -2.610925 0.924330 -1.005121 0.955761 -1.120644 -0.958892 -0.984389 0.967031 0.920381 -1.004026 -0.997849 0.995361 1.006550 -3.098773 -1.203184 1.254173 3.123709 -1.209187 -1.089913 -3.091849 1.158664 -1.105331 3.027466 1.162451 1.179796 1.490999 -1.376941 -3.221020 1.207881 1.149437 3.064985 -1.261156 1.058217 -3.044933 -1.145217 -1.199240 3.097841 -1.205780 2.954120 -1.138008 -1.143119 -3.071231 1.215934 1.173618 3.015690 1.124942 1.250283 -3.142837 -1.129343 3.403084 -1.499017 1.561317 -3.581405 -1.491365 -1.513164 3.479176 1.546574 -1.433699 -3.482780 1.588205 1.523079 1.511086 -1.488395 3.445305 1.561991 1.450021 -3.510013 -1.545325 1.566964 3.532719 -1.916307 -1.566360 -3.565848 -1.554330 -3.545833 -1.528846 -1.563866 3.501598 1.506787 1.539684 -3.402426 1.576796 1.549163 3.424155 -1.518147 -0.169182 -3.774045 3.801711 4.057048 -0.098780 -3.756760 -0.239719 3.725339 -3.828790 0.258581 3.851998 3.816369 3.797845 -3.819371 -0.135345 3.753414 3.799290 0.250114 -3.771091 3.808922 -0.227555 -3.886236 -3.817740 0.209051 -3.941295 0.368031 -3.667251 -3.859205 -0.175488 3.884818 3.799007 0.196737 3.773066 -1.672978 -2.304392 -2.938144 -0.590390 -3.348766 -1.385732 1.224556 -2.010550 -2.500828 1 3 -3 0.077577 -2.551626 2.562923 Rho 0.4361414E+07 3,-3 2 3 -3 2.523081 -2.610566 0.036150 Rho 0.4361415E+07 3,-3 3 3 -3 2.544318 2.576633 -0.112901 Rho 0.4361415E+07 3,-3 4 3 -3 -2.558331 2.595583 0.156551 Rho 0.4361415E+07 3,-3 5 3 -3 -2.694007 -0.083694 -2.514761 Rho 0.4361415E+07 3,-3 6 3 -3 2.570894 -0.115535 2.556720 Rho 0.4361415E+07 3,-3 7 3 -3 -0.082736 -0.022308 -0.034487 Rho 0.4276086E+05 3,-3 8 3 -3 0.117467 2.462628 -2.600332 Rho 0.3882646E+07 3,-3 9 3 -3 -0.117866 2.561889 2.618780 Rho 0.3882647E+07 3,-3 10 3 -3 -2.641074 -2.551561 -0.086776 Rho 0.3882647E+07 3,-3 11 3 -3 -2.608335 0.129636 2.627331 Rho 0.3882647E+07 3,-3 12 3 -3 2.683754 0.084926 -2.610925 Rho 0.3882647E+07 3,-3 13 3 -3 0.924330 -1.005121 0.955761 Rho 0.3190337E+03 3,-3 14 3 -3 -1.120644 -0.958892 -0.984389 Rho 0.3190576E+03 3,-3 15 3 -3 0.967031 0.920381 -1.004026 Rho 0.3190051E+03 3,-3 16 3 -3 -0.997849 0.995361 1.006550 Rho 0.3189865E+03 3,-3 17 3 -3 -3.098773 -1.203184 1.254173 Rho 0.3188259E+03 3,-3 18 3 -3 3.123709 -1.209187 -1.089913 Rho 0.3188429E+03 3,-3 19 3 -3 -3.091849 1.158664 -1.105331 Rho 0.3188676E+03 3,-3 20 3 -3 3.027466 1.162451 1.179796 Rho 0.3188487E+03 3,-3 21 3 -3 1.490999 -1.376941 -3.221020 Rho 0.3186401E+03 3,-3 22 3 -3 1.207881 1.149437 3.064985 Rho 0.3188430E+03 3,-3 23 3 -3 -1.261156 1.058217 -3.044933 Rho 0.3188524E+03 3,-3 24 3 -3 -1.145217 -1.199240 3.097841 Rho 0.3188531E+03 3,-3 25 3 -3 -1.205780 2.954120 -1.138008 Rho 0.3188581E+03 3,-3 26 3 -3 -1.143119 -3.071231 1.215934 Rho 0.3188605E+03 3,-3 27 3 -3 1.173618 3.015690 1.124942 Rho 0.3188637E+03 3,-3 28 3 -3 1.250283 -3.142837 -1.129343 Rho 0.3191279E+03 3,-3 29 3 -3 3.403084 -1.499017 1.561317 Rho 0.3189539E+03 3,-3 30 3 -3 -3.581405 -1.491365 -1.513164 Rho 0.3188883E+03 3,-3 31 3 -3 3.479176 1.546574 -1.433699 Rho 0.3189052E+03 3,-3 32 3 -3 -3.482780 1.588205 1.523079 Rho 0.3188938E+03 3,-3 33 3 -3 1.511086 -1.488395 3.445305 Rho 0.3189118E+03 3,-3 34 3 -3 1.561991 1.450021 -3.510013 Rho 0.3188517E+03 3,-3 35 3 -3 -1.545325 1.566964 3.532719 Rho 0.3188626E+03 3,-3 36 3 -3 -1.916307 -1.566360 -3.565848 Rho 0.3186970E+03 3,-3 37 3 -3 -1.554330 -3.545833 -1.528846 Rho 0.3186559E+03 3,-3 38 3 -3 -1.563866 3.501598 1.506787 Rho 0.3189057E+03 3,-3 39 3 -3 1.539684 -3.402426 1.576796 Rho 0.3189104E+03 3,-3 40 3 -3 1.549163 3.424155 -1.518147 Rho 0.3188943E+03 3,-3 41 3 -3 -0.169182 -3.774045 3.801711 Rho 0.3192200E+03 3,-3 42 3 -3 4.057048 -0.098780 -3.756760 Rho 0.3190893E+03 3,-3 43 3 -3 -0.239719 3.725339 -3.828790 Rho 0.3191022E+03 3,-3 44 3 -3 0.258581 3.851998 3.816369 Rho 0.3190917E+03 3,-3 45 3 -3 3.797845 -3.819371 -0.135345 Rho 0.3191886E+03 3,-3 46 3 -3 3.753414 3.799290 0.250114 Rho 0.3192161E+03 3,-3 47 3 -3 -3.771091 3.808922 -0.227555 Rho 0.3192183E+03 3,-3 48 3 -3 -3.886236 -3.817740 0.209051 Rho 0.3190913E+03 3,-3 49 3 -3 -3.941295 0.368031 -3.667251 Rho 0.3192216E+03 3,-3 50 3 -3 -3.859205 -0.175488 3.884818 Rho 0.3190901E+03 3,-3 51 3 -3 3.799007 0.196737 3.773066 Rho 0.3192215E+03 3,-3 52 3 -3 -1.672978 -2.304392 -2.938144 Rho 0.4421888E+00 3,-3 53 3 -3 -0.590390 -3.348766 -1.385732 Rho 0.4480813E+00 3,-3 54 3 -3 1.224556 -2.010550 -2.500828 Rho 0.4445293E+00 3,-3 55 3 +1 -2.320280 -1.369318 -1.062205 Rho 0.2761741E-01 |GRAD(Rho)| 0.3008939E-13 GRAD(Rho)x -0.1039701E-13 GRAD(Rho)y -0.2262477E-13 GRAD(Rho)z 0.1689358E-13 Laplacian 0.1079009E+00 (-1/4)Del**2(Rho)) -0.2697522E-01 Diamond 0.1522024E-01 Metallicity 0.1611486E+01 Ellipticity -0.3151282E+01 Gb(Abramov) 0.2522851E-01 Vb(Abramov) -0.2348180E-01 Hb(Abramov) 0.1746708E-02 Ex_ueg -0.6165416E-02 Ec_ueg -0.1221379E-02 Delta_ex -0.6800423E-02 Delta_ec 0.1666951E-02 Delta_et -0.1510008E-01 Pxc 0.5047915E+01 Qxc -0.4079559E+01 3,+1 56 3 -1 0.294768 -1.261506 -1.915226 Rho 0.4307015E-02 |GRAD(Rho)| 0.3566252E-12 GRAD(Rho)x -0.2523123E-12 GRAD(Rho)y 0.1016622E-12 GRAD(Rho)z -0.2306183E-12 Laplacian 0.1652672E-01 (-1/4)Del**2(Rho)) -0.4131680E-02 Diamond 0.3750493E-03 Metallicity 0.4753941E+00 Ellipticity 0.8049943E+00 Gb(Abramov) 0.3081816E-02 Vb(Abramov) -0.2031952E-02 Hb(Abramov) 0.1049864E-02 Ex_ueg -0.5175515E-03 Ec_ueg -0.1172138E-03 Delta_ex -0.8662222E-03 Delta_ec 0.6410761E-03 Delta_et -0.3279351E-02 Pxc 0.4415448E+01 Qxc -0.1351200E+01 3,-1 57 3 -1 -1.833597 2.772442 -0.533410 Rho 0.1539912E+00 |GRAD(Rho)| 0.1948281E-14 GRAD(Rho)x -0.1606733E-14 GRAD(Rho)y -0.2741541E-15 GRAD(Rho)z 0.1067262E-14 Laplacian 0.6355430E+00 (-1/4)Del**2(Rho)) -0.1588858E+00 Diamond 0.1318787E+01 Metallicity 0.4796910E+01 Ellipticity 0.1099419E-01 Gb(Abramov) 0.2329506E+00 Vb(Abramov) -0.3070155E+00 Hb(Abramov) -0.7406485E-01 Ex_ueg -0.6096020E-01 Ec_ueg -0.8699498E-02 Delta_ex -0.6859398E-01 Delta_ec 0.1584118E-01 Delta_et -0.2112081E+00 Pxc 0.7007324E+01 Qxc -0.4330107E+01 3,-1 58 3 +3 0.905466 -1.191073 -1.339487 Rho 0.3578670E-02 |GRAD(Rho)| 0.1481642E-13 GRAD(Rho)x -0.1083395E-13 GRAD(Rho)y -0.3316613E-14 GRAD(Rho)z 0.9547350E-14 Laplacian 0.1359960E-01 (-1/4)Del**2(Rho)) -0.3399901E-02 Diamond 0.9211668E-04 Metallicity 0.4242511E+00 Ellipticity -0.5675830E+00 Gb(Abramov) 0.2507003E-02 Vb(Abramov) -0.1614104E-02 Hb(Abramov) 0.8928984E-03 Ex_ueg -0.4042784E-03 Ec_ueg -0.8626950E-04 Delta_ex -0.4750096E-03 Delta_ec 0.1426757E-03 Delta_et -0.8187500E-03 Pxc 0.4686227E+01 Qxc -0.3329297E+01 3,+3 59 3 -1 -3.125732 -1.984159 -0.843151 Rho 0.1190521E+00 |GRAD(Rho)| 0.4581031E-15 GRAD(Rho)x 0.2156207E-15 GRAD(Rho)y -0.3024382E-15 GRAD(Rho)z 0.2681367E-15 Laplacian 0.4838823E+00 (-1/4)Del**2(Rho)) -0.1209706E+00 Diamond 0.7676051E+00 Metallicity 0.4103005E+01 Ellipticity 0.2558930E-01 Gb(Abramov) 0.1633709E+00 Vb(Abramov) -0.2057711E+00 Hb(Abramov) -0.4240028E-01 Ex_ueg -0.4325483E-01 Ec_ueg -0.6492966E-02 Delta_ex -0.4947373E-01 Delta_ec 0.1357823E-01 Delta_et -0.1752551E+00 Pxc 0.6661798E+01 Qxc -0.3643608E+01 3,-1 60 3 +1 -2.280051 -2.193667 -2.056275 Rho 0.1172597E-01 |GRAD(Rho)| 0.1652089E-16 GRAD(Rho)x 0.1301773E-16 GRAD(Rho)y -0.9451578E-17 GRAD(Rho)z -0.3761135E-17 Laplacian 0.4797014E-01 (-1/4)Del**2(Rho)) -0.1199253E-01 Diamond 0.1603662E-02 Metallicity 0.8694076E+00 Ellipticity -0.1307752E+01 Gb(Abramov) 0.9732757E-02 Vb(Abramov) -0.7472979E-02 Hb(Abramov) 0.2259778E-02 Ex_ueg -0.1967509E-02 Ec_ueg -0.4469336E-03 Delta_ex -0.2266572E-02 Delta_ec 0.4850668E-03 Delta_et -0.3723691E-02 Pxc 0.4402240E+01 Qxc -0.4672700E+01 3,+1 61 3 -1 -3.212767 3.250302 -0.049866 Rho 0.2308888E+00 |GRAD(Rho)| 0.5717994E-15 GRAD(Rho)x -0.5151587E-15 GRAD(Rho)y 0.2481197E-15 GRAD(Rho)z 0.1653408E-17 Laplacian 0.8527675E+00 (-1/4)Del**2(Rho)) -0.2131919E+00 Diamond 0.2874518E+01 Metallicity 0.7021891E+01 Ellipticity 0.3396488E-02 Gb(Abramov) 0.3916296E+00 Vb(Abramov) -0.5700673E+00 Hb(Abramov) -0.1784377E+00 Ex_ueg -0.1046138E+00 Ec_ueg -0.1381156E-01 Delta_ex -0.1019740E+00 Delta_ec 0.1901150E-01 Delta_et -0.2627656E+00 Pxc 0.7574366E+01 Qxc -0.5363806E+01 3,-1 62 3 -1 -3.149159 -0.834003 -1.972162 Rho 0.1446488E+00 |GRAD(Rho)| 0.1036762E-11 GRAD(Rho)x -0.4471339E-12 GRAD(Rho)y -0.7566439E-12 GRAD(Rho)z 0.5499428E-12 Laplacian 0.5578311E+00 (-1/4)Del**2(Rho)) -0.1394578E+00 Diamond 0.1083299E+01 Metallicity 0.4923816E+01 Ellipticity 0.1941747E-01 Gb(Abramov) 0.2074159E+00 Vb(Abramov) -0.2753741E+00 Hb(Abramov) -0.6795814E-01 Ex_ueg -0.5607959E-01 Ec_ueg -0.8101845E-02 Delta_ex -0.5938622E-01 Delta_ec 0.1430195E-01 Delta_et -0.1894518E+00 Pxc 0.6921830E+01 Qxc -0.4152316E+01 3,-1 63 3 -1 -1.651491 -2.717201 -2.445232 Rho 0.3184792E-01 |GRAD(Rho)| 0.9096065E-16 GRAD(Rho)x -0.3929839E-17 GRAD(Rho)y 0.5573361E-16 GRAD(Rho)z -0.7177855E-16 Laplacian 0.9082056E-01 (-1/4)Del**2(Rho)) -0.2270514E-01 Diamond 0.3632652E-01 Metallicity 0.2427900E+01 Ellipticity 0.3233698E-01 Gb(Abramov) 0.2432439E-01 Vb(Abramov) -0.2594365E-01 Hb(Abramov) -0.1619253E-02 Ex_ueg -0.7455780E-02 Ec_ueg -0.1439313E-02 Delta_ex -0.7581652E-02 Delta_ec 0.4313571E-02 Delta_et -0.4024816E-01 Pxc 0.5180096E+01 Qxc -0.1757628E+01 3,-1 64 3 -1 -1.765901 0.547441 1.778696 Rho 0.4096846E-01 |GRAD(Rho)| 0.6831087E-16 GRAD(Rho)x 0.4951077E-16 GRAD(Rho)y -0.2791397E-16 GRAD(Rho)z 0.3789287E-16 Laplacian 0.1731964E+00 (-1/4)Del**2(Rho)) -0.4329910E-01 Diamond 0.7155582E-01 Metallicity 0.1937122E+01 Ellipticity 0.1746233E-01 Gb(Abramov) 0.4284534E-01 Vb(Abramov) -0.4239159E-01 Hb(Abramov) 0.4537571E-03 Ex_ueg -0.1043081E-01 Ec_ueg -0.1922090E-02 Delta_ex -0.1382167E-01 Delta_ec 0.5628483E-02 Delta_et -0.5635916E-01 Pxc 0.5426805E+01 Qxc -0.2455666E+01 3,-1 65 3 +1 -3.017272 0.114230 0.191824 Rho 0.5021341E-02 |GRAD(Rho)| 0.1884164E-17 GRAD(Rho)x 0.1126118E-17 GRAD(Rho)y -0.1507251E-17 GRAD(Rho)z -0.1006443E-18 Laplacian 0.1972753E-01 (-1/4)Del**2(Rho)) -0.4931882E-02 Diamond 0.4511322E-03 Metallicity 0.5143278E+00 Ellipticity -0.3405683E+01 Gb(Abramov) 0.3710689E-02 Vb(Abramov) -0.2489495E-02 Hb(Abramov) 0.1221193E-02 Ex_ueg -0.6350550E-03 Ec_ueg -0.1478313E-03 Delta_ex -0.9709691E-03 Delta_ec 0.6021538E-03 Delta_et -0.3282085E-02 Pxc 0.4295809E+01 Qxc -0.1612493E+01 3,+1 66 3 +3 -1.169254 -1.119308 1.167478 Rho 0.4947488E-02 |GRAD(Rho)| 0.8106487E-16 GRAD(Rho)x 0.7481555E-16 GRAD(Rho)y 0.2404823E-17 GRAD(Rho)z -0.3111853E-16 Laplacian 0.1832323E-01 (-1/4)Del**2(Rho)) -0.4580806E-02 Diamond 0.1226162E-03 Metallicity 0.5402389E+00 Ellipticity -0.1955750E+00 Gb(Abramov) 0.3466326E-02 Vb(Abramov) -0.2351845E-02 Hb(Abramov) 0.1114480E-02 Ex_ueg -0.6226320E-03 Ec_ueg -0.1446537E-03 Delta_ex -0.6279028E-03 Delta_ec 0.7482416E-04 Delta_et -0.6083290E-03 Pxc 0.4304293E+01 Qxc -0.8391712E+01 3,+3 67 3 -1 -3.367003 0.158935 -3.136793 Rho 0.2311743E+00 |GRAD(Rho)| 0.5399264E-08 GRAD(Rho)x -0.3832839E-08 GRAD(Rho)y 0.1383924E-08 GRAD(Rho)z -0.3542054E-08 Laplacian 0.8599482E+00 (-1/4)Del**2(Rho)) -0.2149871E+00 Diamond 0.2900032E+01 Metallicity 0.6977611E+01 Ellipticity 0.4474511E-02 Gb(Abramov) 0.3933407E+00 Vb(Abramov) -0.5716943E+00 Hb(Abramov) -0.1783536E+00 Ex_ueg -0.1047863E+00 Ec_ueg -0.1383115E-01 Delta_ex -0.1028489E+00 Delta_ec 0.1913468E-01 Delta_et -0.2643557E+00 Pxc 0.7576107E+01 Qxc -0.5375001E+01 3,-1 68 3 +1 -0.590646 -0.531905 1.705869 Rho 0.7981132E-02 |GRAD(Rho)| 0.8298308E-17 GRAD(Rho)x -0.3396453E-17 GRAD(Rho)y 0.4575715E-18 GRAD(Rho)z -0.7557556E-17 Laplacian 0.3037219E-01 (-1/4)Del**2(Rho)) -0.7593048E-02 Diamond 0.7232221E-03 Metallicity 0.7231769E+00 Ellipticity -0.1425170E+01 Gb(Abramov) 0.5977218E-02 Vb(Abramov) -0.4361388E-02 Hb(Abramov) 0.1615830E-02 Ex_ueg -0.1177980E-02 Ec_ueg -0.2773759E-03 Delta_ex -0.1356168E-02 Delta_ec 0.4176468E-03 Delta_et -0.2808259E-02 Pxc 0.4246871E+01 Qxc -0.3247164E+01 3,+1 69 3 -1 -1.838645 -1.713155 -0.516589 Rho 0.4762054E-01 |GRAD(Rho)| 0.1820497E-15 GRAD(Rho)x -0.1209944E-15 GRAD(Rho)y -0.1290768E-15 GRAD(Rho)z 0.4291408E-16 Laplacian 0.2020312E+00 (-1/4)Del**2(Rho)) -0.5050780E-01 Diamond 0.1026748E+00 Metallicity 0.2133955E+01 Ellipticity 0.1589648E-01 Gb(Abramov) 0.5163543E-01 Vb(Abramov) -0.5276306E-01 Hb(Abramov) -0.1127628E-02 Ex_ueg -0.1274806E-01 Ec_ueg -0.2283774E-02 Delta_ex -0.1674120E-01 Delta_ec 0.6582644E-02 Delta_et -0.6866797E-01 Pxc 0.5582014E+01 Qxc -0.2543233E+01 3,-1 70 3 +1 1.664764 0.511303 0.532743 Rho 0.7604339E-02 |GRAD(Rho)| 0.2240804E-14 GRAD(Rho)x -0.4386558E-15 GRAD(Rho)y -0.2767755E-15 GRAD(Rho)z -0.2179949E-14 Laplacian 0.2964657E-01 (-1/4)Del**2(Rho)) -0.7411643E-02 Diamond 0.6760292E-03 Metallicity 0.6835042E+00 Ellipticity -0.1405224E+01 Gb(Abramov) 0.5785410E-02 Vb(Abramov) -0.4159177E-02 Hb(Abramov) 0.1626233E-02 Ex_ueg -0.1104419E-02 Ec_ueg -0.2606541E-03 Delta_ex -0.1315741E-02 Delta_ec 0.4219508E-03 Delta_et -0.2789831E-02 Pxc 0.4237103E+01 Qxc -0.3118233E+01 3,+1 71 3 +1 -0.641314 -1.686737 0.523589 Rho 0.8298297E-02 |GRAD(Rho)| 0.6382943E-12 GRAD(Rho)x 0.3790225E-12 GRAD(Rho)y -0.6597825E-13 GRAD(Rho)z 0.5093215E-12 Laplacian 0.3123183E-01 (-1/4)Del**2(Rho)) -0.7807958E-02 Diamond 0.7962260E-03 Metallicity 0.7504654E+00 Ellipticity -0.1472416E+01 Gb(Abramov) 0.6181906E-02 Vb(Abramov) -0.4555853E-02 Hb(Abramov) 0.1626052E-02 Ex_ueg -0.1240805E-02 Ec_ueg -0.2915014E-03 Delta_ex -0.1414027E-02 Delta_ec 0.4395817E-03 Delta_et -0.2976945E-02 Pxc 0.4256602E+01 Qxc -0.3216757E+01 3,+1 72 3 +3 -2.445977 0.042206 0.118959 Rho 0.4443715E-02 |GRAD(Rho)| 0.3234051E-15 GRAD(Rho)x 0.2127053E-15 GRAD(Rho)y -0.1675614E-15 GRAD(Rho)z -0.1768346E-15 Laplacian 0.1790782E-01 (-1/4)Del**2(Rho)) -0.4476955E-02 Diamond 0.1554148E-03 Metallicity 0.4621832E+00 Ellipticity -0.2664850E+00 Gb(Abramov) 0.3329499E-02 Vb(Abramov) -0.2182043E-02 Hb(Abramov) 0.1147456E-02 Ex_ueg -0.5395687E-03 Ec_ueg -0.1230527E-03 Delta_ex -0.6520934E-03 Delta_ec 0.1739477E-03 Delta_et -0.1071206E-02 Pxc 0.4384858E+01 Qxc -0.3748789E+01 3,+3 73 3 -1 -3.058269 0.899847 2.036137 Rho 0.1139976E+00 |GRAD(Rho)| 0.1168540E-13 GRAD(Rho)x 0.4007455E-14 GRAD(Rho)y -0.8600041E-14 GRAD(Rho)z 0.6821163E-14 Laplacian 0.4633720E+00 (-1/4)Del**2(Rho)) -0.1158430E+00 Diamond 0.6971835E+00 Metallicity 0.3985743E+01 Ellipticity 0.1145653E-01 Gb(Abramov) 0.1541821E+00 Vb(Abramov) -0.1925212E+00 Hb(Abramov) -0.3833908E-01 Ex_ueg -0.4082371E-01 Ec_ueg -0.6180511E-02 Delta_ex -0.4688880E-01 Delta_ec 0.1311838E-01 Delta_et -0.1679360E+00 Pxc 0.6605233E+01 Qxc -0.3574284E+01 3,-1 74 3 -1 -3.280186 -0.033340 3.302716 Rho 0.2072684E+00 |GRAD(Rho)| 0.7354256E-15 GRAD(Rho)x -0.4457697E-15 GRAD(Rho)y 0.3131040E-15 GRAD(Rho)z -0.4940709E-15 Laplacian 0.7798617E+00 (-1/4)Del**2(Rho)) -0.1949654E+00 Diamond 0.2314131E+01 Metallicity 0.6414323E+01 Ellipticity 0.5891832E-02 Gb(Abramov) 0.3384055E+00 Vb(Abramov) -0.4818456E+00 Hb(Abramov) -0.1434401E+00 Ex_ueg -0.9059327E-01 Ec_ueg -0.1220589E-01 Delta_ex -0.9072524E-01 Delta_ec 0.1799084E-01 Delta_et -0.2473633E+00 Pxc 0.7422092E+01 Qxc -0.5042858E+01 3,-1 75 3 +1 -1.751530 -0.519190 0.621141 Rho 0.8359940E-02 |GRAD(Rho)| 0.1650756E-12 GRAD(Rho)x 0.9509381E-13 GRAD(Rho)y -0.9725017E-13 GRAD(Rho)z 0.9353882E-13 Laplacian 0.3065475E-01 (-1/4)Del**2(Rho)) -0.7663687E-02 Diamond 0.7740215E-03 Metallicity 0.7740827E+00 Ellipticity -0.1483852E+01 Gb(Abramov) 0.6097846E-02 Vb(Abramov) -0.4532005E-02 Hb(Abramov) 0.1565841E-02 Ex_ueg -0.1253110E-02 Ec_ueg -0.2942520E-03 Delta_ex -0.1383284E-02 Delta_ec 0.4185844E-03 Delta_et -0.2850706E-02 Pxc 0.4258629E+01 Qxc -0.3304671E+01 3,+1 76 3 -1 -2.890242 0.578899 -1.760945 Rho 0.1473538E+00 |GRAD(Rho)| 0.1196434E-13 GRAD(Rho)x 0.1260060E-14 GRAD(Rho)y -0.7381303E-14 GRAD(Rho)z -0.9331349E-14 Laplacian 0.6223223E+00 (-1/4)Del**2(Rho)) -0.1555806E+00 Diamond 0.1230307E+01 Metallicity 0.4551978E+01 Ellipticity 0.1607561E-01 Gb(Abramov) 0.2217536E+00 Vb(Abramov) -0.2879266E+00 Hb(Abramov) -0.6617304E-01 Ex_ueg -0.5748223E-01 Ec_ueg -0.8274336E-02 Delta_ex -0.6649775E-01 Delta_ec 0.1578386E-01 Delta_et -0.2094190E+00 Pxc 0.6947050E+01 Qxc -0.4213021E+01 3,-1 77 3 +1 -0.586987 0.550817 -1.679820 Rho 0.8798485E-02 |GRAD(Rho)| 0.5215948E-15 GRAD(Rho)x -0.7597156E-16 GRAD(Rho)y -0.4141656E-15 GRAD(Rho)z 0.3078250E-15 Laplacian 0.3351592E-01 (-1/4)Del**2(Rho)) -0.8378981E-02 Diamond 0.9325278E-03 Metallicity 0.7709776E+00 Ellipticity -0.1492996E+01 Gb(Abramov) 0.6662655E-02 Vb(Abramov) -0.4946329E-02 Hb(Abramov) 0.1716326E-02 Ex_ueg -0.1341515E-02 Ec_ueg -0.3138696E-03 Delta_ex -0.1543192E-02 Delta_ec 0.4772920E-03 Delta_et -0.3276879E-02 Pxc 0.4274116E+01 Qxc -0.3233224E+01 3,+1 78 3 -1 -1.871157 -0.507463 -1.709259 Rho 0.5027697E-01 |GRAD(Rho)| 0.1609233E-15 GRAD(Rho)x 0.1198446E-15 GRAD(Rho)y -0.4497576E-16 GRAD(Rho)z 0.9752314E-16 Laplacian 0.2001863E+00 (-1/4)Del**2(Rho)) -0.5004659E-01 Diamond 0.1024573E+00 Metallicity 0.2357548E+01 Ellipticity 0.3149935E-01 Gb(Abramov) 0.5302893E-01 Vb(Abramov) -0.5601128E-01 Hb(Abramov) -0.2982345E-02 Ex_ueg -0.1370494E-01 Ec_ueg -0.2430190E-02 Delta_ex -0.1650986E-01 Delta_ec 0.5980740E-02 Delta_et -0.6316139E-01 Pxc 0.5639454E+01 Qxc -0.2760505E+01 3,-1 79 3 -1 -2.874757 -1.831748 0.625764 Rho 0.1343755E+00 |GRAD(Rho)| 0.5885388E-14 GRAD(Rho)x 0.1237427E-14 GRAD(Rho)y -0.3678535E-14 GRAD(Rho)z -0.4424358E-14 Laplacian 0.5693419E+00 (-1/4)Del**2(Rho)) -0.1423355E+00 Diamond 0.1035759E+01 Metallicity 0.4266842E+01 Ellipticity 0.1282084E-01 Gb(Abramov) 0.1961108E+00 Vb(Abramov) -0.2498862E+00 Hb(Abramov) -0.5377534E-01 Ex_ueg -0.5083291E-01 Ec_ueg -0.7450951E-02 Delta_ex -0.5980874E-01 Delta_ec 0.1535011E-01 Delta_et -0.2020349E+00 Pxc 0.6822339E+01 Qxc -0.3896308E+01 3,-1 80 3 +1 -1.786980 -1.794765 1.818456 Rho 0.1146253E-01 |GRAD(Rho)| 0.2905579E-16 GRAD(Rho)x -0.2030323E-16 GRAD(Rho)y 0.1351692E-16 GRAD(Rho)z -0.1578957E-16 Laplacian 0.5405475E-01 (-1/4)Del**2(Rho)) -0.1351369E-01 Diamond 0.1949018E-02 Metallicity 0.7428711E+00 Ellipticity -0.1258017E+01 Gb(Abramov) 0.1068228E-01 Vb(Abramov) -0.7850871E-02 Hb(Abramov) 0.2831408E-02 Ex_ueg -0.1908794E-02 Ec_ueg -0.4348147E-03 Delta_ex -0.2599028E-02 Delta_ec 0.6549666E-03 Delta_et -0.4893016E-02 Pxc 0.4389902E+01 Qxc -0.3968183E+01 3,+1 81 3 -1 -1.745771 1.758278 0.570148 Rho 0.4754583E-01 |GRAD(Rho)| 0.1915210E-15 GRAD(Rho)x -0.7757424E-16 GRAD(Rho)y 0.1387503E-15 GRAD(Rho)z -0.1068217E-15 Laplacian 0.1894658E+00 (-1/4)Del**2(Rho)) -0.4736646E-01 Diamond 0.8847708E-01 Metallicity 0.2269532E+01 Ellipticity 0.1722194E-01 Gb(Abramov) 0.4949426E-01 Vb(Abramov) -0.5162206E-01 Hb(Abramov) -0.2127797E-02 Ex_ueg -0.1272140E-01 Ec_ueg -0.2279672E-02 Delta_ex -0.1534330E-01 Delta_ec 0.5547317E-02 Delta_et -0.5770441E-01 Pxc 0.5580365E+01 Qxc -0.2765896E+01 3,-1 82 3 -1 -2.275359 -0.878124 -3.049054 Rho 0.1351454E+00 |GRAD(Rho)| 0.2817298E-13 GRAD(Rho)x 0.2184168E-13 GRAD(Rho)y -0.1603249E-13 GRAD(Rho)z 0.7721200E-14 Laplacian 0.5004477E+00 (-1/4)Del**2(Rho)) -0.1251119E+00 Diamond 0.9131141E+00 Metallicity 0.4900682E+01 Ellipticity 0.1078227E+00 Gb(Abramov) 0.1855969E+00 Vb(Abramov) -0.2460819E+00 Hb(Abramov) -0.6048500E-01 Ex_ueg -0.5122163E-01 Ec_ueg -0.7499498E-02 Delta_ex -0.5260277E-01 Delta_ec 0.1340114E-01 Delta_et -0.1764085E+00 Pxc 0.6830008E+01 Qxc -0.3925245E+01 3,-1 83 3 -1 -0.209721 -1.466250 -3.370912 Rho 0.3866056E-02 |GRAD(Rho)| 0.1030279E-11 GRAD(Rho)x 0.9681126E-12 GRAD(Rho)y 0.3010073E-12 GRAD(Rho)z 0.1833807E-12 Laplacian 0.1332618E-01 (-1/4)Del**2(Rho)) -0.3331545E-02 Diamond 0.3222414E-03 Metallicity 0.4924412E+00 Ellipticity 0.1210893E+00 Gb(Abramov) 0.2494462E-02 Vb(Abramov) -0.1657378E-02 Hb(Abramov) 0.8370834E-03 Ex_ueg -0.4481354E-03 Ec_ueg -0.9844577E-04 Delta_ex -0.7648959E-03 Delta_ec 0.6585050E-03 Delta_et -0.3211168E-02 Pxc 0.4552104E+01 Qxc -0.1161564E+01 3,-1 84 3 -1 -2.826911 1.829027 -0.511722 Rho 0.1252592E+00 |GRAD(Rho)| 0.2636467E-14 GRAD(Rho)x -0.7517112E-15 GRAD(Rho)y 0.2058629E-14 GRAD(Rho)z 0.1465584E-14 Laplacian 0.5205155E+00 (-1/4)Del**2(Rho)) -0.1301289E+00 Diamond 0.8510351E+00 Metallicity 0.4151410E+01 Ellipticity 0.1419535E-01 Gb(Abramov) 0.1767890E+00 Vb(Abramov) -0.2234491E+00 Hb(Abramov) -0.4666010E-01 Ex_ueg -0.4628760E-01 Ec_ueg -0.6879111E-02 Delta_ex -0.5352461E-01 Delta_ec 0.1383229E-01 Delta_et -0.1791616E+00 Pxc 0.6728718E+01 Qxc -0.3869541E+01 3,-1 85 3 +3 -0.090537 -2.362262 -0.155226 Rho 0.3807806E-02 |GRAD(Rho)| 0.5170131E-17 GRAD(Rho)x -0.1068398E-17 GRAD(Rho)y -0.4781889E-17 GRAD(Rho)z -0.1649947E-17 Laplacian 0.1507581E-01 (-1/4)Del**2(Rho)) -0.3768952E-02 Diamond 0.9411011E-04 Metallicity 0.4244148E+00 Ellipticity -0.3960694E+00 Gb(Abramov) 0.2779235E-02 Vb(Abramov) -0.1789517E-02 Hb(Abramov) 0.9897176E-03 Ex_ueg -0.4391553E-03 Ec_ueg -0.9597421E-04 Delta_ex -0.5120307E-03 Delta_ec 0.1177708E-03 Delta_et -0.7365943E-03 Pxc 0.4575764E+01 Qxc -0.4347688E+01 3,+3 86 3 -1 -1.832468 -0.573332 2.865175 Rho 0.1096137E+00 |GRAD(Rho)| 0.9302410E-14 GRAD(Rho)x 0.2691451E-14 GRAD(Rho)y -0.8050716E-14 GRAD(Rho)z -0.3804852E-14 Laplacian 0.4699702E+00 (-1/4)Del**2(Rho)) -0.1174925E+00 Diamond 0.6774044E+00 Metallicity 0.3681159E+01 Ellipticity 0.2013124E-01 Gb(Abramov) 0.1504131E+00 Vb(Abramov) -0.1833338E+00 Hb(Abramov) -0.3292060E-01 Ex_ueg -0.3874406E-01 Ec_ueg -0.5911010E-02 Delta_ex -0.4716636E-01 Delta_ec 0.1350095E-01 Delta_et -0.1716456E+00 Pxc 0.6554557E+01 Qxc -0.3493558E+01 3,-1 87 3 +1 -1.554150 -1.963345 -1.953527 Rho 0.1117488E-01 |GRAD(Rho)| 0.1447877E-16 GRAD(Rho)x 0.1309679E-17 GRAD(Rho)y 0.1187842E-16 GRAD(Rho)z 0.8174517E-17 Laplacian 0.4881130E-01 (-1/4)Del**2(Rho)) -0.1220283E-01 Diamond 0.1728964E-02 Metallicity 0.7885528E+00 Ellipticity -0.1332306E+01 Gb(Abramov) 0.9738980E-02 Vb(Abramov) -0.7275133E-02 Hb(Abramov) 0.2463846E-02 Ex_ueg -0.1845195E-02 Ec_ueg -0.4216138E-03 Delta_ex -0.2340463E-02 Delta_ec 0.6080607E-03 Delta_et -0.4500741E-02 Pxc 0.4376505E+01 Qxc -0.3849061E+01 3,+1 88 3 +1 1.703532 -0.560982 -0.542759 Rho 0.7544404E-02 |GRAD(Rho)| 0.1246431E-10 GRAD(Rho)x -0.5166319E-11 GRAD(Rho)y -0.3623605E-11 GRAD(Rho)z 0.1074884E-10 Laplacian 0.2924712E-01 (-1/4)Del**2(Rho)) -0.7311780E-02 Diamond 0.6560705E-03 Metallicity 0.6837619E+00 Ellipticity -0.1402966E+01 Gb(Abramov) 0.5707773E-02 Vb(Abramov) -0.4103766E-02 Hb(Abramov) 0.1604007E-02 Ex_ueg -0.1092827E-02 Ec_ueg -0.2580003E-03 Delta_ex -0.1293460E-02 Delta_ec 0.4127114E-03 Delta_et -0.2726095E-02 Pxc 0.4235761E+01 Qxc -0.3134055E+01 3,+1 89 3 +1 0.521071 0.521679 1.699598 Rho 0.7631134E-02 |GRAD(Rho)| 0.9643155E-13 GRAD(Rho)x 0.7052708E-13 GRAD(Rho)y 0.1508637E-13 GRAD(Rho)z 0.6401075E-13 Laplacian 0.2927304E-01 (-1/4)Del**2(Rho)) -0.7318259E-02 Diamond 0.6606398E-03 Metallicity 0.6962960E+00 Ellipticity -0.1408561E+01 Gb(Abramov) 0.5728119E-02 Vb(Abramov) -0.4137978E-02 Hb(Abramov) 0.1590141E-02 Ex_ueg -0.1109610E-02 Ec_ueg -0.2618411E-03 Delta_ex -0.1294982E-02 Delta_ec 0.4071305E-03 Delta_et -0.2702197E-02 Pxc 0.4237724E+01 Qxc -0.3180754E+01 3,+1 90 3 +1 -0.158643 0.159742 3.012874 Rho 0.5041925E-02 |GRAD(Rho)| 0.6216756E-17 GRAD(Rho)x 0.4414685E-17 GRAD(Rho)y 0.4375881E-17 GRAD(Rho)z -0.1014013E-18 Laplacian 0.1961010E-01 (-1/4)Del**2(Rho)) -0.4902525E-02 Diamond 0.4298290E-03 Metallicity 0.5209475E+00 Ellipticity -0.2652257E+01 Gb(Abramov) 0.3694010E-02 Vb(Abramov) -0.2485495E-02 Hb(Abramov) 0.1208515E-02 Ex_ueg -0.6385284E-03 Ec_ueg -0.1487174E-03 Delta_ex -0.9465927E-03 Delta_ec 0.5639899E-03 Delta_et -0.3092245E-02 Pxc 0.4293568E+01 Qxc -0.1678386E+01 3,+1 91 3 -1 -1.925415 0.524252 -2.784798 Rho 0.1534479E+00 |GRAD(Rho)| 0.7821543E-15 GRAD(Rho)x 0.6526355E-15 GRAD(Rho)y 0.4233674E-15 GRAD(Rho)z -0.8119319E-16 Laplacian 0.6349163E+00 (-1/4)Del**2(Rho)) -0.1587291E+00 Diamond 0.1316181E+01 Metallicity 0.4773440E+01 Ellipticity 0.4200264E-02 Gb(Abramov) 0.2321000E+00 Vb(Abramov) -0.3054710E+00 Hb(Abramov) -0.7337094E-01 Ex_ueg -0.6067358E-01 Ec_ueg -0.8664592E-02 Delta_ex -0.6850782E-01 Delta_ec 0.1591341E-01 Delta_et -0.2122501E+00 Pxc 0.7002473E+01 Qxc -0.4305038E+01 3,-1 92 3 +1 -1.748143 0.591228 -0.474024 Rho 0.9096691E-02 |GRAD(Rho)| 0.3424972E-16 GRAD(Rho)x 0.2567672E-16 GRAD(Rho)y -0.2116222E-16 GRAD(Rho)z 0.8118477E-17 Laplacian 0.3526308E-01 (-1/4)Del**2(Rho)) -0.8815771E-02 Diamond 0.1011411E-02 Metallicity 0.7746377E+00 Ellipticity -0.1467907E+01 Gb(Abramov) 0.7015352E-02 Vb(Abramov) -0.5214933E-02 Hb(Abramov) 0.1800419E-02 Ex_ueg -0.1402479E-02 Ec_ueg -0.3272578E-03 Delta_ex -0.1631001E-02 Delta_ec 0.4907190E-03 Delta_et -0.3407105E-02 Pxc 0.4285547E+01 Qxc -0.3323696E+01 3,+1 93 3 +1 2.144812 -1.381710 1.086072 Rho 0.2557973E-01 |GRAD(Rho)| 0.1295774E-16 GRAD(Rho)x 0.5489860E-17 GRAD(Rho)y 0.9614448E-17 GRAD(Rho)z -0.6732513E-17 Laplacian 0.9964269E-01 (-1/4)Del**2(Rho)) -0.2491067E-01 Diamond 0.1346729E-01 Metallicity 0.1535775E+01 Ellipticity -0.3807126E+01 Gb(Abramov) 0.2298331E-01 Vb(Abramov) -0.2105595E-01 Hb(Abramov) 0.1927359E-02 Ex_ueg -0.5566467E-02 Ec_ueg -0.1117947E-02 Delta_ex -0.6237144E-02 Delta_ec 0.1694107E-02 Delta_et -0.1503743E-01 Pxc 0.4979188E+01 Qxc -0.3681670E+01 3,+1 94 3 -1 -2.052142 -3.064341 -0.837628 Rho 0.1084504E+00 |GRAD(Rho)| 0.1315723E-15 GRAD(Rho)x 0.6762033E-16 GRAD(Rho)y -0.7500646E-16 GRAD(Rho)z -0.8433738E-16 Laplacian 0.4207517E+00 (-1/4)Del**2(Rho)) -0.1051879E+00 Diamond 0.6005507E+00 Metallicity 0.4039297E+01 Ellipticity 0.8135566E-01 Gb(Abramov) 0.1409395E+00 Vb(Abramov) -0.1766911E+00 Hb(Abramov) -0.3575157E-01 Ex_ueg -0.3819676E-01 Ec_ueg -0.5839729E-02 Delta_ex -0.4215021E-01 Delta_ec 0.1216590E-01 Delta_et -0.1544163E+00 Pxc 0.6540844E+01 Qxc -0.3464618E+01 3,-1 95 3 -1 -1.848128 -2.814816 0.602280 Rho 0.1040043E+00 |GRAD(Rho)| 0.9520739E-16 GRAD(Rho)x -0.7808966E-16 GRAD(Rho)y -0.1106564E-16 GRAD(Rho)z -0.5332919E-16 Laplacian 0.4489961E+00 (-1/4)Del**2(Rho)) -0.1122490E+00 Diamond 0.6084009E+00 Metallicity 0.3530119E+01 Ellipticity 0.2448804E-01 Gb(Abramov) 0.1408748E+00 Vb(Abramov) -0.1695005E+00 Hb(Abramov) -0.2862573E-01 Ex_ueg -0.3612325E-01 Ec_ueg -0.5568250E-02 Delta_ex -0.4453049E-01 Delta_ec 0.1307526E-01 Delta_et -0.1645432E+00 Pxc 0.6487361E+01 Qxc -0.3405706E+01 3,-1 96 3 +1 -0.004132 -3.072386 -0.013167 Rho 0.4951544E-02 |GRAD(Rho)| 0.2921594E-17 GRAD(Rho)x -0.2410102E-18 GRAD(Rho)y -0.2769667E-18 GRAD(Rho)z 0.2898433E-17 Laplacian 0.1880355E-01 (-1/4)Del**2(Rho)) -0.4700887E-02 Diamond 0.4503735E-03 Metallicity 0.5271583E+00 Ellipticity -0.6187441E+01 Gb(Abramov) 0.3546943E-02 Vb(Abramov) -0.2392999E-02 Hb(Abramov) 0.1153944E-02 Ex_ueg -0.6233125E-03 Ec_ueg -0.1448281E-03 Delta_ex -0.9496741E-03 Delta_ec 0.6216295E-03 Delta_et -0.3354162E-02 Pxc 0.4303809E+01 Qxc -0.1527717E+01 3,+1 97 3 +1 -1.814921 1.706192 -1.761989 Rho 0.1175100E-01 |GRAD(Rho)| 0.3533090E-14 GRAD(Rho)x -0.2611066E-14 GRAD(Rho)y -0.2379672E-14 GRAD(Rho)z 0.4712290E-16 Laplacian 0.5715230E-01 (-1/4)Del**2(Rho)) -0.1428808E-01 Diamond 0.2176735E-02 Metallicity 0.7323255E+00 Ellipticity -0.1256673E+01 Gb(Abramov) 0.1126930E-01 Vb(Abramov) -0.8250533E-02 Hb(Abramov) 0.3018772E-02 Ex_ueg -0.1973111E-02 Ec_ueg -0.4480865E-03 Delta_ex -0.2779404E-02 Delta_ec 0.7161244E-03 Delta_et -0.5362221E-02 Pxc 0.4403415E+01 Qxc -0.3881175E+01 3,+1 98 3 +3 -1.191542 1.095350 -1.140293 Rho 0.5382876E-02 |GRAD(Rho)| 0.3802405E-17 GRAD(Rho)x -0.3579616E-17 GRAD(Rho)y 0.3629884E-18 GRAD(Rho)z -0.1229989E-17 Laplacian 0.2069233E-01 (-1/4)Del**2(Rho)) -0.5173082E-02 Diamond 0.1567084E-03 Metallicity 0.5505893E+00 Ellipticity -0.2490754E+00 Gb(Abramov) 0.3923429E-02 Vb(Abramov) -0.2673775E-02 Hb(Abramov) 0.1249654E-02 Ex_ueg -0.6967402E-03 Ec_ueg -0.1634265E-03 Delta_ex -0.7270666E-03 Delta_ec 0.8638152E-04 Delta_et -0.7061211E-03 Pxc 0.4263324E+01 Qxc -0.8416923E+01 3,+3 99 3 +1 -0.562035 1.615379 -0.566876 Rho 0.9164641E-02 |GRAD(Rho)| 0.4927500E-14 GRAD(Rho)x 0.2917606E-14 GRAD(Rho)y -0.3367667E-14 GRAD(Rho)z 0.2103961E-14 Laplacian 0.3458956E-01 (-1/4)Del**2(Rho)) -0.8647390E-02 Diamond 0.1017374E-02 Metallicity 0.7995775E+00 Ellipticity -0.1523798E+01 Gb(Abramov) 0.6917303E-02 Vb(Abramov) -0.5187216E-02 Hb(Abramov) 0.1730087E-02 Ex_ueg -0.1416464E-02 Ec_ueg -0.3303140E-03 Delta_ex -0.1609162E-02 Delta_ec 0.4925483E-03 Delta_et -0.3417295E-02 Pxc 0.4288237E+01 Qxc -0.3267014E+01 3,+1 100 3 +1 2.198857 0.990921 -1.438002 Rho 0.2390807E-01 |GRAD(Rho)| 0.3646087E-16 GRAD(Rho)x -0.3530676E-16 GRAD(Rho)y -0.5758742E-17 GRAD(Rho)z 0.7047278E-17 Laplacian 0.9015556E-01 (-1/4)Del**2(Rho)) -0.2253889E-01 Diamond 0.9894267E-02 Metallicity 0.1516567E+01 Ellipticity -0.2515564E+01 Gb(Abramov) 0.2072288E-01 Vb(Abramov) -0.1890688E-01 Hb(Abramov) 0.1816006E-02 Ex_ueg -0.5086799E-02 Ec_ueg -0.1033896E-02 Delta_ex -0.5403153E-02 Delta_ec 0.1284120E-02 Delta_et -0.1127615E-01 Pxc 0.4920029E+01 Qxc -0.4207670E+01 3,+1 101 3 +1 0.347733 -1.812345 -0.732707 Rho 0.6018414E-02 |GRAD(Rho)| 0.1293819E-12 GRAD(Rho)x 0.7203329E-13 GRAD(Rho)y 0.1947280E-13 GRAD(Rho)z 0.1056962E-12 Laplacian 0.2271412E-01 (-1/4)Del**2(Rho)) -0.5678531E-02 Diamond 0.5379616E-03 Metallicity 0.6041164E+00 Ellipticity -0.2006018E+01 Gb(Abramov) 0.4357436E-02 Vb(Abramov) -0.3036342E-02 Hb(Abramov) 0.1321095E-02 Ex_ueg -0.8085269E-03 Ec_ueg -0.1909992E-03 Delta_ex -0.1068237E-02 Delta_ec 0.5317158E-03 Delta_et -0.3125014E-02 Pxc 0.4233143E+01 Qxc -0.2009037E+01 3,+1 102 3 +1 -1.076173 2.219915 1.434515 Rho 0.2561452E-01 |GRAD(Rho)| 0.2623037E-16 GRAD(Rho)x -0.1252915E-16 GRAD(Rho)y -0.6695272E-17 GRAD(Rho)z -0.2205054E-16 Laplacian 0.9722897E-01 (-1/4)Del**2(Rho)) -0.2430724E-01 Diamond 0.1166564E-01 Metallicity 0.1577470E+01 Ellipticity -0.2579129E+01 Gb(Abramov) 0.2259549E-01 Vb(Abramov) -0.2088373E-01 Hb(Abramov) 0.1711756E-02 Ex_ueg -0.5576564E-02 Ec_ueg -0.1119704E-02 Delta_ex -0.5930547E-02 Delta_ec 0.1371470E-02 Delta_et -0.1223794E-01 Pxc 0.4980392E+01 Qxc -0.4324227E+01 3,+1 103 3 -1 -0.880466 3.045749 2.023827 Rho 0.1068045E+00 |GRAD(Rho)| 0.2141015E-14 GRAD(Rho)x 0.3095262E-15 GRAD(Rho)y -0.1546357E-14 GRAD(Rho)z 0.1448074E-14 Laplacian 0.4406860E+00 (-1/4)Del**2(Rho)) -0.1101715E+00 Diamond 0.6131899E+00 Metallicity 0.3759526E+01 Ellipticity 0.8744332E-02 Gb(Abramov) 0.1424798E+00 Vb(Abramov) -0.1747880E+00 Hb(Abramov) -0.3230827E-01 Ex_ueg -0.3742580E-01 Ec_ueg -0.5739055E-02 Delta_ex -0.4392297E-01 Delta_ec 0.1266418E-01 Delta_et -0.1600978E+00 Pxc 0.6521247E+01 Qxc -0.3468284E+01 3,-1 104 3 +1 1.763400 1.769302 1.780547 Rho 0.1193296E-01 |GRAD(Rho)| 0.4852163E-16 GRAD(Rho)x -0.1748272E-17 GRAD(Rho)y -0.2665703E-16 GRAD(Rho)z 0.4050549E-16 Laplacian 0.5810516E-01 (-1/4)Del**2(Rho)) -0.1452629E-01 Diamond 0.2244986E-02 Metallicity 0.7390013E+00 Ellipticity -0.1249188E+01 Gb(Abramov) 0.1147335E-01 Vb(Abramov) -0.8420412E-02 Hb(Abramov) 0.3052939E-02 Ex_ueg -0.2013952E-02 Ec_ueg -0.4564749E-03 Delta_ex -0.2832844E-02 Delta_ec 0.7201683E-03 Delta_et -0.5418899E-02 Pxc 0.4411966E+01 Qxc -0.3933586E+01 3,+1 105 3 +1 1.133857 2.149336 -1.350175 Rho 0.2600417E-01 |GRAD(Rho)| 0.1821040E-14 GRAD(Rho)x -0.9134657E-15 GRAD(Rho)y 0.7419274E-15 GRAD(Rho)z -0.1389716E-14 Laplacian 0.9957923E-01 (-1/4)Del**2(Rho)) -0.2489481E-01 Diamond 0.1395636E-01 Metallicity 0.1579487E+01 Ellipticity -0.4831787E+01 Gb(Abramov) 0.2315004E-01 Vb(Abramov) -0.2140528E-01 Hb(Abramov) 0.1744764E-02 Ex_ueg -0.5689959E-02 Ec_ueg -0.1139404E-02 Delta_ex -0.6280174E-02 Delta_ec 0.1727836E-02 Delta_et -0.1539134E-01 Pxc 0.4993801E+01 Qxc -0.3634704E+01 3,+1 106 3 -1 0.047381 -3.281012 -1.296273 Rho 0.2930559E-01 |GRAD(Rho)| 0.2347653E-16 GRAD(Rho)x -0.2221146E-16 GRAD(Rho)y -0.6206476E-17 GRAD(Rho)z -0.4390731E-17 Laplacian 0.9428918E-01 (-1/4)Del**2(Rho)) -0.2357229E-01 Diamond 0.3518963E-01 Metallicity 0.2035801E+01 Ellipticity 0.6261378E-02 Gb(Abramov) 0.2371295E-01 Vb(Abramov) -0.2385360E-01 Hb(Abramov) -0.1406531E-03 Ex_ueg -0.6672967E-02 Ec_ueg -0.1307844E-02 Delta_ex -0.7863184E-02 Delta_ec 0.4712601E-02 Delta_et -0.4288442E-01 Pxc 0.5102263E+01 Qxc -0.1668544E+01 3,-1 107 3 +1 -0.187119 2.908223 0.179400 Rho 0.5384888E-02 |GRAD(Rho)| 0.7885809E-14 GRAD(Rho)x -0.5902111E-14 GRAD(Rho)y 0.7002084E-15 GRAD(Rho)z 0.5182738E-14 Laplacian 0.2160901E-01 (-1/4)Del**2(Rho)) -0.5402253E-02 Diamond 0.5172158E-03 Metallicity 0.5275610E+00 Ellipticity -0.2677297E+01 Gb(Abramov) 0.4076505E-02 Vb(Abramov) -0.2750757E-02 Hb(Abramov) 0.1325748E-02 Ex_ueg -0.6970875E-03 Ec_ueg -0.1635135E-03 Delta_ex -0.1056683E-02 Delta_ec 0.6210606E-03 Delta_et -0.3472579E-02 Pxc 0.4263180E+01 Qxc -0.1701417E+01 3,+1 108 3 -1 -0.522373 0.469005 0.465819 Rho 0.1771869E+00 |GRAD(Rho)| 0.3116714E-15 GRAD(Rho)x 0.1630640E-15 GRAD(Rho)y -0.2428613E-15 GRAD(Rho)z -0.1075529E-15 Laplacian 0.4634123E+00 (-1/4)Del**2(Rho)) -0.1158531E+00 Diamond 0.1166727E+01 Metallicity 0.8311863E+01 Ellipticity 0.4704833E-02 Gb(Abramov) 0.2377278E+00 Vb(Abramov) -0.3596026E+00 Hb(Abramov) -0.1218748E+00 Ex_ueg -0.7350111E-01 Ec_ueg -0.1020603E-01 Delta_ex -0.5202610E-01 Delta_ec 0.1154892E-01 Delta_et -0.1577664E+00 Pxc 0.7201734E+01 Qxc -0.4504847E+01 3,-1 109 3 +3 0.015425 2.292822 -0.016775 Rho 0.4613198E-02 |GRAD(Rho)| 0.9988334E-11 GRAD(Rho)x 0.6458016E-11 GRAD(Rho)y 0.4118074E-11 GRAD(Rho)z 0.6411109E-11 Laplacian 0.1864247E-01 (-1/4)Del**2(Rho)) -0.4660618E-02 Diamond 0.1607862E-03 Metallicity 0.4725485E+00 Ellipticity -0.2851841E+00 Gb(Abramov) 0.3474140E-02 Vb(Abramov) -0.2287662E-02 Hb(Abramov) 0.1186478E-02 Ex_ueg -0.5671803E-03 Ec_ueg -0.1303053E-03 Delta_ex -0.6755630E-03 Delta_ec 0.1636760E-03 Delta_et -0.1040192E-02 Pxc 0.4352704E+01 Qxc -0.4127440E+01 3,+3 110 3 +1 -1.378366 1.134299 2.237106 Rho 0.2510622E-01 |GRAD(Rho)| 0.6314897E-12 GRAD(Rho)x 0.3967746E-12 GRAD(Rho)y 0.4671884E-12 GRAD(Rho)z 0.1519347E-12 Laplacian 0.9254538E-01 (-1/4)Del**2(Rho)) -0.2313634E-01 Diamond 0.1213919E-01 Metallicity 0.1602854E+01 Ellipticity -0.5033655E+01 Gb(Abramov) 0.2160493E-01 Vb(Abramov) -0.2007351E-01 Hb(Abramov) 0.1531418E-02 Ex_ueg -0.5429504E-02 Ec_ueg -0.1094064E-02 Delta_ex -0.5758502E-02 Delta_ec 0.1563566E-02 Delta_et -0.1381778E-01 Pxc 0.4962695E+01 Qxc -0.3682928E+01 3,+1 111 3 +3 -0.010286 0.005384 2.354103 Rho 0.4233995E-02 |GRAD(Rho)| 0.6561865E-15 GRAD(Rho)x 0.2995470E-15 GRAD(Rho)y -0.3401349E-15 GRAD(Rho)z -0.4745108E-15 Laplacian 0.1695266E-01 (-1/4)Del**2(Rho)) -0.4238164E-02 Diamond 0.1271405E-03 Metallicity 0.4504287E+00 Ellipticity -0.2568812E+00 Gb(Abramov) 0.3143608E-02 Vb(Abramov) -0.2049052E-02 Hb(Abramov) 0.1094556E-02 Ex_ueg -0.5058855E-03 Ec_ueg -0.1140989E-03 Delta_ex -0.5974817E-03 Delta_ec 0.1426283E-03 Delta_et -0.8973225E-03 Pxc 0.4433745E+01 Qxc -0.4189082E+01 3,+3 112 3 -1 -0.575050 -2.814627 1.840228 Rho 0.1604436E+00 |GRAD(Rho)| 0.1494848E-15 GRAD(Rho)x -0.9196745E-16 GRAD(Rho)y 0.1148509E-15 GRAD(Rho)z 0.2640032E-16 Laplacian 0.6568142E+00 (-1/4)Del**2(Rho)) -0.1642035E+00 Diamond 0.1430910E+01 Metallicity 0.4970211E+01 Ellipticity 0.1234946E-01 Gb(Abramov) 0.2454901E+00 Vb(Abramov) -0.3267766E+00 Hb(Abramov) -0.8128652E-01 Ex_ueg -0.6438950E-01 Ec_ueg -0.9115375E-02 Delta_ex -0.7160666E-01 Delta_ec 0.1618761E-01 Delta_et -0.2169261E+00 Pxc 0.7063835E+01 Qxc -0.4423548E+01 3,-1 113 3 -1 0.489081 -1.743665 1.724678 Rho 0.4807719E-01 |GRAD(Rho)| 0.1712934E-15 GRAD(Rho)x 0.7036705E-16 GRAD(Rho)y 0.8863903E-16 GRAD(Rho)z -0.1285809E-15 Laplacian 0.1910169E+00 (-1/4)Del**2(Rho)) -0.4775423E-01 Diamond 0.9120910E-01 Metallicity 0.2293189E+01 Ellipticity 0.1483197E-01 Gb(Abramov) 0.5008773E-01 Vb(Abramov) -0.5242123E-01 Hb(Abramov) -0.2333504E-02 Ex_ueg -0.1291132E-01 Ec_ueg -0.2308867E-02 Delta_ex -0.1554176E-01 Delta_ec 0.5644917E-02 Delta_et -0.5890414E-01 Pxc 0.5592057E+01 Qxc -0.2753231E+01 3,-1 114 3 +1 -0.042561 -2.161540 -1.075416 Rho 0.6353460E-02 |GRAD(Rho)| 0.3495837E-17 GRAD(Rho)x -0.2068786E-17 GRAD(Rho)y 0.2508025E-17 GRAD(Rho)z -0.1284838E-17 Laplacian 0.2416109E-01 (-1/4)Del**2(Rho)) -0.6040273E-02 Diamond 0.7479907E-03 Metallicity 0.6216039E+00 Ellipticity -0.4690078E+01 Gb(Abramov) 0.4652625E-02 Vb(Abramov) -0.3264977E-02 Hb(Abramov) 0.1387648E-02 Ex_ueg -0.8690914E-03 Ec_ueg -0.2056147E-03 Delta_ex -0.1239091E-02 Delta_ec 0.7250135E-03 Delta_et -0.4244370E-02 Pxc 0.4226795E+01 Qxc -0.1709060E+01 3,+1 115 3 -1 -0.582769 2.711656 -1.824123 Rho 0.1094914E+00 |GRAD(Rho)| 0.9684847E-16 GRAD(Rho)x 0.6380530E-16 GRAD(Rho)y 0.5803870E-17 GRAD(Rho)z 0.7262799E-16 Laplacian 0.4749218E+00 (-1/4)Del**2(Rho)) -0.1187304E+00 Diamond 0.6814064E+00 Metallicity 0.3636002E+01 Ellipticity 0.1531964E-01 Gb(Abramov) 0.1511043E+00 Vb(Abramov) -0.1834782E+00 Hb(Abramov) -0.3237387E-01 Ex_ueg -0.3868639E-01 Ec_ueg -0.5903506E-02 Delta_ex -0.4761734E-01 Delta_ec 0.1358665E-01 Delta_et -0.1726164E+00 Pxc 0.6553120E+01 Qxc -0.3504715E+01 3,-1 116 3 +1 0.157484 2.907586 -0.187339 Rho 0.5381518E-02 |GRAD(Rho)| 0.1165187E-16 GRAD(Rho)x 0.6814625E-17 GRAD(Rho)y -0.1295667E-17 GRAD(Rho)z 0.9362068E-17 Laplacian 0.2153626E-01 (-1/4)Del**2(Rho)) -0.5384065E-02 Diamond 0.5178362E-03 Metallicity 0.5287912E+00 Ellipticity -0.2694328E+01 Gb(Abramov) 0.4063884E-02 Vb(Abramov) -0.2743704E-02 Hb(Abramov) 0.1320181E-02 Ex_ueg -0.6965059E-03 Ec_ueg -0.1633678E-03 Delta_ex -0.1055347E-02 Delta_ec 0.6231720E-03 Delta_et -0.3481892E-02 Pxc 0.4263421E+01 Qxc -0.1693508E+01 3,+1 117 3 -1 -0.017426 2.909658 -0.001677 Rho 0.5424336E-02 |GRAD(Rho)| 0.3359295E-16 GRAD(Rho)x -0.1159531E-16 GRAD(Rho)y -0.3092509E-16 GRAD(Rho)z 0.6137898E-17 Laplacian 0.2122877E-01 (-1/4)Del**2(Rho)) -0.5307194E-02 Diamond 0.6223687E-03 Metallicity 0.5435830E+00 Ellipticity 0.2871864E+01 Gb(Abramov) 0.4018946E-02 Vb(Abramov) -0.2730698E-02 Hb(Abramov) 0.1288248E-02 Ex_ueg -0.7039046E-03 Ec_ueg -0.1652192E-03 Delta_ex -0.1130611E-02 Delta_ec 0.7725953E-03 Delta_et -0.4257979E-02 Pxc 0.4260430E+01 Qxc -0.1463394E+01 3,-1 118 3 +1 0.479406 -0.913694 -1.826497 Rho 0.4151097E-02 |GRAD(Rho)| 0.9256748E-17 GRAD(Rho)x 0.1686509E-17 GRAD(Rho)y 0.8077237E-17 GRAD(Rho)z 0.4195391E-17 Laplacian 0.1575316E-01 (-1/4)Del**2(Rho)) -0.3938290E-02 Diamond 0.2471265E-03 Metallicity 0.4690116E+00 Ellipticity -0.1875086E+01 Gb(Abramov) 0.2933377E-02 Vb(Abramov) -0.1928465E-02 Hb(Abramov) 0.1004913E-02 Ex_ueg -0.4927223E-03 Ec_ueg -0.1105660E-03 Delta_ex -0.7096080E-03 Delta_ec 0.4132268E-03 Delta_et -0.2156014E-02 Pxc 0.4456365E+01 Qxc -0.1717236E+01 3,+1 119 3 -1 -0.587974 -0.471847 -0.492356 Rho 0.1892014E+00 |GRAD(Rho)| 0.8162585E-14 GRAD(Rho)x 0.4992534E-14 GRAD(Rho)y 0.4371503E-14 GRAD(Rho)z 0.4753142E-14 Laplacian 0.5130909E+00 (-1/4)Del**2(Rho)) -0.1282727E+00 Diamond 0.1381244E+01 Metallicity 0.8374509E+01 Ellipticity 0.1895822E-01 Gb(Abramov) 0.2645520E+00 Vb(Abramov) -0.4008313E+00 Hb(Abramov) -0.1362793E+00 Ex_ueg -0.8022028E-01 Ec_ueg -0.1099864E-01 Delta_ex -0.5843975E-01 Delta_ec 0.1235446E-01 Delta_et -0.1693147E+00 Pxc 0.7293654E+01 Qxc -0.4730253E+01 3,-1 120 3 -1 0.400222 -0.495976 0.442648 Rho 0.1772645E+00 |GRAD(Rho)| 0.1306467E-15 GRAD(Rho)x 0.4510281E-16 GRAD(Rho)y -0.5204170E-16 GRAD(Rho)z 0.1110223E-15 Laplacian 0.4566019E+00 (-1/4)Del**2(Rho)) -0.1141505E+00 Diamond 0.1158628E+01 Metallicity 0.8441995E+01 Ellipticity 0.3306106E-02 Gb(Abramov) 0.2367099E+00 Vb(Abramov) -0.3592694E+00 Hb(Abramov) -0.1225595E+00 Ex_ueg -0.7354403E-01 Ec_ueg -0.1021112E-01 Delta_ex -0.5133444E-01 Delta_ec 0.1149808E-01 Delta_et -0.1574226E+00 Pxc 0.7202346E+01 Qxc -0.4464610E+01 3,-1 121 3 +3 2.309711 -0.017184 0.006828 Rho 0.4182912E-02 |GRAD(Rho)| 0.3442417E-17 GRAD(Rho)x 0.3079598E-17 GRAD(Rho)y 0.8776941E-18 GRAD(Rho)z 0.1263315E-17 Laplacian 0.1705406E-01 (-1/4)Del**2(Rho)) -0.4263514E-02 Diamond 0.1233456E-03 Metallicity 0.4387831E+00 Ellipticity -0.3091627E+00 Gb(Abramov) 0.3154136E-02 Vb(Abramov) -0.2044757E-02 Hb(Abramov) 0.1109378E-02 Ex_ueg -0.4977638E-03 Ec_ueg -0.1119214E-03 Delta_ex -0.5962797E-03 Delta_ec 0.1382953E-03 Delta_et -0.8755531E-03 Pxc 0.4447440E+01 Qxc -0.4311642E+01 3,+3 122 3 -1 0.045883 -2.075998 -1.043262 Rho 0.6362552E-02 |GRAD(Rho)| 0.9057571E-17 GRAD(Rho)x -0.3863795E-17 GRAD(Rho)y 0.7890595E-17 GRAD(Rho)z 0.2202088E-17 Laplacian 0.2399232E-01 (-1/4)Del**2(Rho)) -0.5998081E-02 Diamond 0.8353280E-03 Metallicity 0.6274701E+00 Ellipticity 0.3647778E+01 Gb(Abramov) 0.4625990E-02 Vb(Abramov) -0.3253899E-02 Hb(Abramov) 0.1372091E-02 Ex_ueg -0.8707500E-03 Ec_ueg -0.2060121E-03 Delta_ex -0.1292159E-02 Delta_ec 0.8295119E-03 Delta_et -0.4813301E-02 Pxc 0.4226693E+01 Qxc -0.1557734E+01 3,-1 123 3 -1 1.994515 -3.011643 0.854702 Rho 0.1270133E+00 |GRAD(Rho)| 0.1942125E-15 GRAD(Rho)x 0.1525676E-15 GRAD(Rho)y 0.1194655E-15 GRAD(Rho)z 0.1302398E-16 Laplacian 0.4940397E+00 (-1/4)Del**2(Rho)) -0.1235099E+00 Diamond 0.8247345E+00 Metallicity 0.4476443E+01 Ellipticity 0.2592544E-01 Gb(Abramov) 0.1744875E+00 Vb(Abramov) -0.2254650E+00 Hb(Abramov) -0.5097755E-01 Ex_ueg -0.4715385E-01 Ec_ueg -0.6988707E-02 Delta_ex -0.5101385E-01 Delta_ec 0.1316049E-01 Delta_et -0.1709919E+00 Pxc 0.6747149E+01 Qxc -0.3876288E+01 3,-1 124 3 -1 -0.054419 -3.211313 3.231352 Rho 0.2309638E+00 |GRAD(Rho)| 0.1881092E-13 GRAD(Rho)x 0.1116749E-13 GRAD(Rho)y 0.1008904E-14 GRAD(Rho)z -0.1510364E-13 Laplacian 0.8535558E+00 (-1/4)Del**2(Rho)) -0.2133890E+00 Diamond 0.2879327E+01 Metallicity 0.7019205E+01 Ellipticity 0.1681517E-02 Gb(Abramov) 0.3918961E+00 Vb(Abramov) -0.5704032E+00 Hb(Abramov) -0.1785071E+00 Ex_ueg -0.1046591E+00 Ec_ueg -0.1381671E-01 Delta_ex -0.1020826E+00 Delta_ec 0.1903755E-01 Delta_et -0.2631727E+00 Pxc 0.7574824E+01 Qxc -0.5362174E+01 3,-1 125 3 +1 0.516991 1.663048 0.509212 Rho 0.8120793E-02 |GRAD(Rho)| 0.1906746E-16 GRAD(Rho)x 0.1091155E-16 GRAD(Rho)y 0.1543546E-16 GRAD(Rho)z 0.2500564E-17 Laplacian 0.3135705E-01 (-1/4)Del**2(Rho)) -0.7839263E-02 Diamond 0.7836690E-03 Metallicity 0.7210112E+00 Ellipticity -0.1445160E+01 Gb(Abramov) 0.6168208E-02 Vb(Abramov) -0.4497153E-02 Hb(Abramov) 0.1671055E-02 Ex_ueg -0.1205544E-02 Ec_ueg -0.2835903E-03 Delta_ex -0.1415604E-02 Delta_ec 0.4478132E-03 Delta_et -0.3010481E-02 Pxc 0.4251004E+01 Qxc -0.3161148E+01 3,+1 126 3 -1 0.526204 1.652053 -1.761760 Rho 0.4833430E-01 |GRAD(Rho)| 0.1449600E-15 GRAD(Rho)x -0.5282733E-16 GRAD(Rho)y 0.1162002E-15 GRAD(Rho)z -0.6870369E-16 Laplacian 0.2054587E+00 (-1/4)Del**2(Rho)) -0.5136468E-01 Diamond 0.1062492E+00 Metallicity 0.2151036E+01 Ellipticity 0.1795775E-01 Gb(Abramov) 0.5265767E-01 Vb(Abramov) -0.5395065E-01 Hb(Abramov) -0.1292983E-02 Ex_ueg -0.1300346E-01 Ec_ueg -0.2323009E-02 Delta_ex -0.1707428E-01 Delta_ec 0.6669650E-02 Delta_et -0.6984891E-01 Pxc 0.5597680E+01 Qxc -0.2559997E+01 3,-1 127 3 +3 1.092067 1.078866 1.115097 Rho 0.4595945E-02 |GRAD(Rho)| 0.5110913E-17 GRAD(Rho)x 0.4444584E-17 GRAD(Rho)y 0.2497535E-17 GRAD(Rho)z -0.3597673E-18 Laplacian 0.1771648E-01 (-1/4)Del**2(Rho)) -0.4429121E-02 Diamond 0.1146275E-03 Metallicity 0.4941518E+00 Ellipticity -0.1132941E+00 Gb(Abramov) 0.3317524E-02 Vb(Abramov) -0.2205926E-02 Hb(Abramov) 0.1111597E-02 Ex_ueg -0.5643539E-03 Ec_ueg -0.1295663E-03 Delta_ex -0.6025341E-03 Delta_ec 0.8617528E-04 Delta_et -0.6486131E-03 Pxc 0.4355714E+01 Qxc -0.6991959E+01 3,+3 128 3 +1 1.460573 0.967266 -2.207043 Rho 0.2488775E-01 |GRAD(Rho)| 0.8022747E-12 GRAD(Rho)x 0.6248007E-12 GRAD(Rho)y -0.4609496E-12 GRAD(Rho)z -0.2019757E-12 Laplacian 0.9247115E-01 (-1/4)Del**2(Rho)) -0.2311779E-01 Diamond 0.1092648E-01 Metallicity 0.1580944E+01 Ellipticity -0.2870998E+01 Gb(Abramov) 0.2150318E-01 Vb(Abramov) -0.1988857E-01 Hb(Abramov) 0.1614609E-02 Ex_ueg -0.5366601E-02 Ec_ueg -0.1083064E-02 Delta_ex -0.5624874E-02 Delta_ec 0.1355946E-02 Delta_et -0.1200614E-01 Pxc 0.4955016E+01 Qxc -0.4148303E+01 3,+1 129 3 -1 0.585965 1.810415 2.843308 Rho 0.1227246E+00 |GRAD(Rho)| 0.1108913E-14 GRAD(Rho)x -0.6549801E-15 GRAD(Rho)y 0.8847767E-15 GRAD(Rho)z -0.1336415E-15 Laplacian 0.5255407E+00 (-1/4)Del**2(Rho)) -0.1313852E+00 Diamond 0.8651798E+00 Metallicity 0.3973986E+01 Ellipticity 0.1331183E-01 Gb(Abramov) 0.1746106E+00 Vb(Abramov) -0.2178360E+00 Hb(Abramov) -0.4322542E-01 Ex_ueg -0.4504300E-01 Ec_ueg -0.6721113E-02 Delta_ex -0.5412620E-01 Delta_ec 0.1465574E-01 Delta_et -0.1902275E+00 Pxc 0.6701718E+01 Qxc -0.3693173E+01 3,-1 130 3 -1 0.838326 -1.978389 3.012719 Rho 0.1269385E+00 |GRAD(Rho)| 0.2201646E-15 GRAD(Rho)x 0.2054699E-15 GRAD(Rho)y 0.2707117E-16 GRAD(Rho)z 0.7430851E-16 Laplacian 0.4991001E+00 (-1/4)Del**2(Rho)) -0.1247750E+00 Diamond 0.8264494E+00 Metallicity 0.4426712E+01 Ellipticity 0.3568056E-01 Gb(Abramov) 0.1752405E+00 Vb(Abramov) -0.2257060E+00 Hb(Abramov) -0.5046551E-01 Ex_ueg -0.4711686E-01 Ec_ueg -0.6984034E-02 Delta_ex -0.5145265E-01 Delta_ec 0.1316064E-01 Delta_et -0.1707337E+00 Pxc 0.6746368E+01 Qxc -0.3909586E+01 3,-1 131 3 +1 0.336629 -1.518493 -1.752324 Rho 0.4238498E-02 |GRAD(Rho)| 0.1034158E-14 GRAD(Rho)x -0.8375468E-15 GRAD(Rho)y -0.2433782E-15 GRAD(Rho)z 0.5556658E-15 Laplacian 0.1627557E-01 (-1/4)Del**2(Rho)) -0.4068893E-02 Diamond 0.2861611E-03 Metallicity 0.4699990E+00 Ellipticity -0.2334257E+01 Gb(Abramov) 0.3031324E-02 Vb(Abramov) -0.1993756E-02 Hb(Abramov) 0.1037568E-02 Ex_ueg -0.5066030E-03 Ec_ueg -0.1142909E-03 Delta_ex -0.7635012E-03 Delta_ec 0.4756709E-03 Delta_et -0.2473142E-02 Pxc 0.4432574E+01 Qxc -0.1605104E+01 3,+1 132 3 +1 2.033846 -2.029265 2.064428 Rho 0.1238055E-01 |GRAD(Rho)| 0.1508242E-16 GRAD(Rho)x -0.9699267E-17 GRAD(Rho)y -0.9739737E-17 GRAD(Rho)z -0.6208148E-17 Laplacian 0.5913833E-01 (-1/4)Del**2(Rho)) -0.1478458E-01 Diamond 0.2042250E-02 Metallicity 0.7720474E+00 Ellipticity -0.1146741E+01 Gb(Abramov) 0.1175879E-01 Vb(Abramov) -0.8732994E-02 Hb(Abramov) 0.3025795E-02 Ex_ueg -0.2115298E-02 Ec_ueg -0.4771649E-03 Delta_ex -0.2811473E-02 Delta_ec 0.5542508E-03 Delta_et -0.4348953E-02 Pxc 0.4433055E+01 Qxc -0.5072564E+01 3,+1 133 3 -1 0.566047 2.792140 1.825963 Rho 0.1112434E+00 |GRAD(Rho)| 0.1893490E-13 GRAD(Rho)x -0.1178285E-13 GRAD(Rho)y -0.3470365E-14 GRAD(Rho)z 0.1441012E-13 Laplacian 0.4835953E+00 (-1/4)Del**2(Rho)) -0.1208988E+00 Diamond 0.7097419E+00 Metallicity 0.3666529E+01 Ellipticity 0.1753552E-01 Gb(Abramov) 0.1544791E+00 Vb(Abramov) -0.1880593E+00 Hb(Abramov) -0.3358023E-01 Ex_ueg -0.3951400E-01 Ec_ueg -0.6011034E-02 Delta_ex -0.4870399E-01 Delta_ec 0.1385210E-01 Delta_et -0.1766230E+00 Pxc 0.6573578E+01 Qxc -0.3515999E+01 3,-1 134 3 -1 0.873388 2.958278 -2.019905 Rho 0.1113245E+00 |GRAD(Rho)| 0.2971466E-13 GRAD(Rho)x -0.2676886E-13 GRAD(Rho)y -0.5862749E-14 GRAD(Rho)z -0.1148989E-13 Laplacian 0.4563656E+00 (-1/4)Del**2(Rho)) -0.1140914E+00 Diamond 0.6662503E+00 Metallicity 0.3890017E+01 Ellipticity 0.1848144E-01 Gb(Abramov) 0.1500305E+00 Vb(Abramov) -0.1859696E+00 Hb(Abramov) -0.3593912E-01 Ex_ueg -0.3955239E-01 Ec_ueg -0.6016013E-02 Delta_ex -0.4590841E-01 Delta_ec 0.1296107E-01 Delta_et -0.1651338E+00 Pxc 0.6574518E+01 Qxc -0.3542023E+01 3,-1 135 3 -1 0.083386 3.254726 3.261909 Rho 0.2069836E+00 |GRAD(Rho)| 0.6993433E-12 GRAD(Rho)x -0.1502234E-12 GRAD(Rho)y -0.5014425E-12 GRAD(Rho)z -0.4637558E-12 Laplacian 0.7827902E+00 (-1/4)Del**2(Rho)) -0.1956975E+00 Diamond 0.2315721E+01 Metallicity 0.6375696E+01 Ellipticity 0.3548577E-02 Gb(Abramov) 0.3384164E+00 Vb(Abramov) -0.4811352E+00 Hb(Abramov) -0.1427188E+00 Ex_ueg -0.9042730E-01 Ec_ueg -0.1218672E-01 Delta_ex -0.9101264E-01 Delta_ec 0.1802754E-01 Delta_et -0.2477061E+00 Pxc 0.7420152E+01 Qxc -0.5048535E+01 3,-1 136 3 -1 2.004194 3.012623 -0.861641 Rho 0.1526339E+00 |GRAD(Rho)| 0.2499292E-15 GRAD(Rho)x 0.1243173E-15 GRAD(Rho)y -0.8279239E-16 GRAD(Rho)z 0.2003877E-15 Laplacian 0.5884506E+00 (-1/4)Del**2(Rho)) -0.1471126E+00 Diamond 0.1218875E+01 Metallicity 0.5104909E+01 Ellipticity 0.2842497E-01 Gb(Abramov) 0.2232412E+00 Vb(Abramov) -0.2993698E+00 Hb(Abramov) -0.7612856E-01 Ex_ueg -0.6024480E-01 Ec_ueg -0.8612332E-02 Delta_ex -0.6347689E-01 Delta_ec 0.1488639E-01 Delta_et -0.1986912E+00 Pxc 0.6995179E+01 Qxc -0.4264089E+01 3,-1 137 3 +1 3.034337 0.159556 -0.144185 Rho 0.5245197E-02 |GRAD(Rho)| 0.5184119E-17 GRAD(Rho)x 0.7000978E-18 GRAD(Rho)y 0.4929582E-17 GRAD(Rho)z 0.1443668E-17 Laplacian 0.2117968E-01 (-1/4)Del**2(Rho)) -0.5294921E-02 Diamond 0.4874296E-03 Metallicity 0.5151852E+00 Ellipticity -0.2327417E+01 Gb(Abramov) 0.3984592E-02 Vb(Abramov) -0.2674262E-02 Hb(Abramov) 0.1310330E-02 Ex_ueg -0.6730812E-03 Ec_ueg -0.1574798E-03 Delta_ex -0.1028587E-02 Delta_ec 0.6057769E-03 Delta_et -0.3362082E-02 Pxc 0.4274079E+01 Qxc -0.1697963E+01 3,+1 138 3 -1 1.721146 1.715728 -0.548933 Rho 0.4078235E-01 |GRAD(Rho)| 0.3196969E-13 GRAD(Rho)x -0.3380796E-14 GRAD(Rho)y 0.2094152E-13 GRAD(Rho)z 0.2391827E-13 Laplacian 0.1603425E+00 (-1/4)Del**2(Rho)) -0.4008563E-01 Diamond 0.6028375E-01 Metallicity 0.2076593E+01 Ellipticity 0.1823139E-01 Gb(Abramov) 0.4059735E-01 Vb(Abramov) -0.4110906E-01 Hb(Abramov) -0.5117153E-03 Ex_ueg -0.1036767E-01 Ec_ueg -0.1912079E-02 Delta_ex -0.1246765E-01 Delta_ec 0.4650174E-02 Delta_et -0.4643918E-01 Pxc 0.5422199E+01 Qxc -0.2681115E+01 3,-1 139 3 -1 0.883065 1.917073 -3.070948 Rho 0.1274506E+00 |GRAD(Rho)| 0.5080439E-12 GRAD(Rho)x -0.3693025E-12 GRAD(Rho)y 0.2889423E-12 GRAD(Rho)z 0.1955420E-12 Laplacian 0.5171272E+00 (-1/4)Del**2(Rho)) -0.1292818E+00 Diamond 0.8791407E+00 Metallicity 0.4301161E+01 Ellipticity 0.1865070E-01 Gb(Abramov) 0.1788648E+00 Vb(Abramov) -0.2284479E+00 Hb(Abramov) -0.4958304E-01 Ex_ueg -0.4737047E-01 Ec_ueg -0.7016067E-02 Delta_ex -0.5359403E-01 Delta_ec 0.1403594E-01 Delta_et -0.1829583E+00 Pxc 0.6751712E+01 Qxc -0.3818344E+01 3,-1 140 3 -1 1.259746 -2.388658 -2.028622 Rho 0.3785279E-01 |GRAD(Rho)| 0.1020347E-15 GRAD(Rho)x 0.6817328E-18 GRAD(Rho)y -0.6680678E-16 GRAD(Rho)z 0.7711981E-16 Laplacian 0.1133937E+00 (-1/4)Del**2(Rho)) -0.2834843E-01 Diamond 0.5790707E-01 Metallicity 0.2593307E+01 Ellipticity 0.1596230E-01 Gb(Abramov) 0.3115165E-01 Vb(Abramov) -0.3395487E-01 Hb(Abramov) -0.2803222E-02 Ex_ueg -0.9386757E-02 Ec_ueg -0.1755338E-02 Delta_ex -0.9865965E-02 Delta_ec 0.5452212E-02 Delta_et -0.5354575E-01 Pxc 0.5347548E+01 Qxc -0.1809534E+01 3,-1 141 3 -1 0.854868 -2.986054 2.028330 Rho 0.1380656E+00 |GRAD(Rho)| 0.1098500E-15 GRAD(Rho)x -0.3549407E-16 GRAD(Rho)y -0.1423015E-17 GRAD(Rho)z -0.1039479E-15 Laplacian 0.5448917E+00 (-1/4)Del**2(Rho)) -0.1362229E+00 Diamond 0.9972277E+00 Metallicity 0.4664216E+01 Ellipticity 0.4706439E-01 Gb(Abramov) 0.1967108E+00 Vb(Abramov) -0.2571987E+00 Hb(Abramov) -0.6048788E-01 Ex_ueg -0.5270263E-01 Ec_ueg -0.7683973E-02 Delta_ex -0.5731633E-01 Delta_ec 0.1406320E-01 Delta_et -0.1848609E+00 Pxc 0.6858774E+01 Qxc -0.4075625E+01 3,-1 142 3 +1 1.348350 -2.184303 1.085965 Rho 0.2797849E-01 |GRAD(Rho)| 0.8598584E-16 GRAD(Rho)x 0.5451109E-17 GRAD(Rho)y -0.8313989E-16 GRAD(Rho)z 0.2125110E-16 Laplacian 0.1110509E+00 (-1/4)Del**2(Rho)) -0.2776272E-01 Diamond 0.1720278E-01 Metallicity 0.1600043E+01 Ellipticity -0.4526890E+01 Gb(Abramov) 0.2591207E-01 Vb(Abramov) -0.2406142E-01 Hb(Abramov) 0.1850650E-02 Ex_ueg -0.6273126E-02 Ec_ueg -0.1239815E-02 Delta_ex -0.7141054E-02 Delta_ec 0.1925014E-02 Delta_et -0.1745629E-01 Pxc 0.5059729E+01 Qxc -0.3709612E+01 3,+1 143 3 +1 1.270709 -1.156871 2.171092 Rho 0.2649056E-01 |GRAD(Rho)| 0.1981542E-14 GRAD(Rho)x -0.6963916E-17 GRAD(Rho)y -0.1813515E-14 GRAD(Rho)z 0.7985136E-15 Laplacian 0.1052772E+00 (-1/4)Del**2(Rho)) -0.2631931E-01 Diamond 0.1578549E-01 Metallicity 0.1540863E+01 Ellipticity -0.5637512E+01 Gb(Abramov) 0.2430528E-01 Vb(Abramov) -0.2229125E-01 Hb(Abramov) 0.2014029E-02 Ex_ueg -0.5832300E-02 Ec_ueg -0.1164050E-02 Delta_ex -0.6737745E-02 Delta_ec 0.1943255E-02 Delta_et -0.1736728E-01 Pxc 0.5010350E+01 Qxc -0.3467247E+01 3,+1 144 3 -1 1.691441 -1.774705 0.487204 Rho 0.4175631E-01 |GRAD(Rho)| 0.1739013E-12 GRAD(Rho)x 0.1137715E-12 GRAD(Rho)y -0.1143740E-12 GRAD(Rho)z -0.6493288E-13 Laplacian 0.1628546E+00 (-1/4)Del**2(Rho)) -0.4071364E-01 Diamond 0.6388958E-01 Metallicity 0.2126589E+01 Ellipticity 0.1459596E-01 Gb(Abramov) 0.4157262E-01 Vb(Abramov) -0.4243160E-01 Hb(Abramov) -0.8589813E-03 Ex_ueg -0.1069912E-01 Ec_ueg -0.1964535E-02 Delta_ex -0.1277422E-01 Delta_ec 0.4787223E-02 Delta_et -0.4811923E-01 Pxc 0.5446131E+01 Qxc -0.2668400E+01 3,-1 145 3 -1 1.714133 -0.550604 1.723445 Rho 0.4004453E-01 |GRAD(Rho)| 0.1584316E-16 GRAD(Rho)x -0.8052954E-17 GRAD(Rho)y -0.8174503E-17 GRAD(Rho)z 0.1092397E-16 Laplacian 0.1568413E+00 (-1/4)Del**2(Rho)) -0.3921032E-01 Diamond 0.5746014E-01 Metallicity 0.2059325E+01 Ellipticity 0.2260355E-01 Gb(Abramov) 0.3959801E-01 Vb(Abramov) -0.3998570E-01 Hb(Abramov) -0.3876902E-03 Ex_ueg -0.1011834E-01 Ec_ueg -0.1872455E-02 Delta_ex -0.1213648E-01 Delta_ec 0.4542893E-02 Delta_et -0.4514615E-01 Pxc 0.5403784E+01 Qxc -0.2671532E+01 3,-1 146 3 -1 1.840382 0.557452 2.813651 Rho 0.1456225E+00 |GRAD(Rho)| 0.2807594E-15 GRAD(Rho)x -0.2635424E-15 GRAD(Rho)y -0.3674090E-16 GRAD(Rho)z 0.8956188E-16 Laplacian 0.6066669E+00 (-1/4)Del**2(Rho)) -0.1516667E+00 Diamond 0.1178991E+01 Metallicity 0.4578363E+01 Ellipticity 0.1042377E-01 Gb(Abramov) 0.2168420E+00 Vb(Abramov) -0.2820173E+00 Hb(Abramov) -0.6517530E-01 Ex_ueg -0.5658347E-01 Ec_ueg -0.8163880E-02 Delta_ex -0.6460140E-01 Delta_ec 0.1536784E-01 Delta_et -0.2034153E+00 Pxc 0.6930953E+01 Qxc -0.4203675E+01 3,-1 147 3 -1 1.784739 0.486073 -1.774284 Rho 0.3586239E-01 |GRAD(Rho)| 0.5731127E-15 GRAD(Rho)x 0.2842706E-16 GRAD(Rho)y 0.2758380E-15 GRAD(Rho)z -0.5015610E-15 Laplacian 0.1503740E+00 (-1/4)Del**2(Rho)) -0.3759351E-01 Diamond 0.5179000E-01 Metallicity 0.1787196E+01 Ellipticity 0.3337379E-01 Gb(Abramov) 0.3626017E-01 Vb(Abramov) -0.3492683E-01 Hb(Abramov) 0.1333338E-02 Ex_ueg -0.8734485E-02 Ec_ueg -0.1649775E-02 Delta_ex -0.1161545E-01 Delta_ec 0.4883010E-02 Delta_et -0.4712952E-01 Pxc 0.5294350E+01 Qxc -0.2378748E+01 3,-1 148 3 -1 2.081056 0.808068 -3.076341 Rho 0.1283683E+00 |GRAD(Rho)| 0.8239112E-14 GRAD(Rho)x 0.5561117E-14 GRAD(Rho)y -0.5266065E-14 GRAD(Rho)z 0.3037352E-14 Laplacian 0.5162727E+00 (-1/4)Del**2(Rho)) -0.1290682E+00 Diamond 0.8893735E+00 Metallicity 0.4360107E+01 Ellipticity 0.5162888E-02 Gb(Abramov) 0.1798373E+00 Vb(Abramov) -0.2306064E+00 Hb(Abramov) -0.5076911E-01 Ex_ueg -0.4782580E-01 Ec_ueg -0.7073517E-02 Delta_ex -0.5364740E-01 Delta_ec 0.1407858E-01 Delta_et -0.1838976E+00 Pxc 0.6761248E+01 Qxc -0.3810570E+01 3,-1 149 3 -1 1.834296 -2.891268 -0.587586 Rho 0.2035263E+00 |GRAD(Rho)| 0.2379025E-15 GRAD(Rho)x 0.8467619E-16 GRAD(Rho)y -0.1816039E-17 GRAD(Rho)z -0.2223157E-15 Laplacian 0.7895067E+00 (-1/4)Del**2(Rho)) -0.1973767E+00 Diamond 0.2274655E+01 Metallicity 0.6146460E+01 Ellipticity 0.4311277E-02 Gb(Abramov) 0.3337791E+00 Vb(Abramov) -0.4701815E+00 Hb(Abramov) -0.1364024E+00 Ex_ueg -0.8841905E-01 Ec_ueg -0.1195435E-01 Delta_ex -0.9130427E-01 Delta_ec 0.1810018E-01 Delta_et -0.2478033E+00 Pxc 0.7396394E+01 Qxc -0.5044385E+01 3,-1 150 3 +1 1.953143 -1.875024 -1.771807 Rho 0.1329959E-01 |GRAD(Rho)| 0.7496207E-16 GRAD(Rho)x 0.3926299E-16 GRAD(Rho)y -0.1165928E-16 GRAD(Rho)z 0.6278369E-16 Laplacian 0.6049329E-01 (-1/4)Del**2(Rho)) -0.1512332E-01 Diamond 0.2802719E-02 Metallicity 0.8504254E+00 Ellipticity -0.1402814E+01 Gb(Abramov) 0.1222576E-01 Vb(Abramov) -0.9328193E-02 Hb(Abramov) 0.2897564E-02 Ex_ueg -0.2327212E-02 Ec_ueg -0.5198900E-03 Delta_ex -0.3058454E-02 Delta_ec 0.7903027E-03 Delta_et -0.6072408E-02 Pxc 0.4476354E+01 Qxc -0.3869977E+01 3,+1 151 3 -1 2.971554 -2.015904 0.840582 Rho 0.1014430E+00 |GRAD(Rho)| 0.1911005E-15 GRAD(Rho)x -0.2764377E-16 GRAD(Rho)y 0.1833013E-15 GRAD(Rho)z 0.4643096E-16 Laplacian 0.4017017E+00 (-1/4)Del**2(Rho)) -0.1004254E+00 Diamond 0.5061341E+00 Metallicity 0.3785122E+01 Ellipticity 0.4603784E-02 Gb(Abramov) 0.1303040E+00 Vb(Abramov) -0.1601826E+00 Hb(Abramov) -0.2987861E-01 Ex_ueg -0.3494202E-01 Ec_ueg -0.5412549E-02 Delta_ex -0.3924126E-01 Delta_ec 0.1110069E-01 Delta_et -0.1382024E+00 Pxc 0.6455743E+01 Qxc -0.3535029E+01 3,-1 152 3 -1 2.051488 -0.696551 -2.910147 Rho 0.1301400E+00 |GRAD(Rho)| 0.3494001E-12 GRAD(Rho)x -0.2005808E-12 GRAD(Rho)y -0.2554504E-12 GRAD(Rho)z -0.1288133E-12 Laplacian 0.5129332E+00 (-1/4)Del**2(Rho)) -0.1282333E+00 Diamond 0.9122213E+00 Metallicity 0.4489906E+01 Ellipticity 0.1094235E+00 Gb(Abramov) 0.1814481E+00 Vb(Abramov) -0.2346629E+00 Hb(Abramov) -0.5321481E-01 Ex_ueg -0.4870792E-01 Ec_ueg -0.7184588E-02 Delta_ex -0.5364297E-01 Delta_ec 0.1424186E-01 Delta_et -0.1870048E+00 Pxc 0.6779502E+01 Qxc -0.3766572E+01 3,-1 153 3 -1 1.996621 -0.844641 3.012806 Rho 0.1413497E+00 |GRAD(Rho)| 0.3405985E-09 GRAD(Rho)x 0.1892826E-09 GRAD(Rho)y 0.2401323E-09 GRAD(Rho)z -0.1500531E-09 Laplacian 0.5500231E+00 (-1/4)Del**2(Rho)) -0.1375058E+00 Diamond 0.1039497E+01 Metallicity 0.4805337E+01 Ellipticity 0.3736352E-01 Gb(Abramov) 0.2017974E+00 Vb(Abramov) -0.2660891E+00 Hb(Abramov) -0.6429166E-01 Ex_ueg -0.5438072E-01 Ec_ueg -0.7892091E-02 Delta_ex -0.5823205E-01 Delta_ec 0.1419239E-01 Delta_et -0.1873844E+00 Pxc 0.6890534E+01 Qxc -0.4103047E+01 3,-1 154 3 -1 2.904254 -0.601349 -1.806230 Rho 0.1062192E+00 |GRAD(Rho)| 0.7992378E-12 GRAD(Rho)x -0.5273774E-12 GRAD(Rho)y 0.5798489E-12 GRAD(Rho)z -0.1562990E-12 Laplacian 0.4541380E+00 (-1/4)Del**2(Rho)) -0.1135345E+00 Diamond 0.6292316E+00 Metallicity 0.3614904E+01 Ellipticity 0.3068389E-01 Gb(Abramov) 0.1440924E+00 Vb(Abramov) -0.1746503E+00 Hb(Abramov) -0.3055789E-01 Ex_ueg -0.3715257E-01 Ec_ueg -0.5703303E-02 Delta_ex -0.4522957E-01 Delta_ec 0.1310870E-01 Delta_et -0.1655917E+00 Pxc 0.6514221E+01 Qxc -0.3450348E+01 3,-1 155 3 -1 2.796412 0.566180 1.820864 Rho 0.1428132E+00 |GRAD(Rho)| 0.4169967E-09 GRAD(Rho)x 0.9112296E-10 GRAD(Rho)y 0.2764089E-09 GRAD(Rho)z -0.2986318E-09 Laplacian 0.5930717E+00 (-1/4)Del**2(Rho)) -0.1482679E+00 Diamond 0.1128225E+01 Metallicity 0.4533704E+01 Ellipticity 0.1520172E-01 Gb(Abramov) 0.2108791E+00 Vb(Abramov) -0.2734903E+00 Hb(Abramov) -0.6261117E-01 Ex_ueg -0.5513273E-01 Ec_ueg -0.7985054E-02 Delta_ex -0.6287762E-01 Delta_ec 0.1513969E-01 Delta_et -0.1999304E+00 Pxc 0.6904491E+01 Qxc -0.4153166E+01 3,-1 156 3 -1 3.210625 -3.263129 -0.055818 Rho 0.2267470E+00 |GRAD(Rho)| 0.2688998E-13 GRAD(Rho)x 0.2286913E-13 GRAD(Rho)y 0.9050378E-15 GRAD(Rho)z 0.1411577E-13 Laplacian 0.8319468E+00 (-1/4)Del**2(Rho)) -0.2079867E+00 Diamond 0.2752527E+01 Metallicity 0.6983722E+01 Ellipticity 0.7358066E-02 Gb(Abramov) 0.3807447E+00 Vb(Abramov) -0.5535027E+00 Hb(Abramov) -0.1727580E+00 Ex_ueg -0.1021192E+00 Ec_ueg -0.1352779E-01 Delta_ex -0.9906685E-01 Delta_ec 0.1873329E-01 Delta_et -0.2590695E+00 Pxc 0.7548844E+01 Qxc -0.5288278E+01 3,-1 157 3 -1 3.233850 0.052260 3.213355 Rho 0.2318550E+00 |GRAD(Rho)| 0.1731325E-15 GRAD(Rho)x -0.4569912E-16 GRAD(Rho)y -0.1621560E-15 GRAD(Rho)z -0.3989864E-16 Laplacian 0.8461466E+00 (-1/4)Del**2(Rho)) -0.2115367E+00 Diamond 0.2876601E+01 Metallicity 0.7126261E+01 Ellipticity 0.4141158E-02 Gb(Abramov) 0.3922687E+00 Vb(Abramov) -0.5730007E+00 Hb(Abramov) -0.1807320E+00 Ex_ueg -0.1051979E+00 Ec_ueg -0.1387789E-01 Delta_ex -0.1013482E+00 Delta_ec 0.1894077E-01 Delta_et -0.2622576E+00 Pxc 0.7580251E+01 Qxc -0.5350796E+01 3,-1 158 3 -1 3.092291 0.856531 -1.981359 Rho 0.1104358E+00 |GRAD(Rho)| 0.1669600E-15 GRAD(Rho)x 0.4763713E-17 GRAD(Rho)y -0.1068617E-15 GRAD(Rho)z -0.1281934E-15 Laplacian 0.4615844E+00 (-1/4)Del**2(Rho)) -0.1153961E+00 Diamond 0.6685176E+00 Metallicity 0.3794999E+01 Ellipticity 0.8647824E-02 Gb(Abramov) 0.1499187E+00 Vb(Abramov) -0.1844414E+00 Hb(Abramov) -0.3452265E-01 Ex_ueg -0.3913194E-01 Ec_ueg -0.5961438E-02 Delta_ex -0.4636331E-01 Delta_ec 0.1316279E-01 Delta_et -0.1674868E+00 Pxc 0.6564179E+01 Qxc -0.3522301E+01 3,-1 159 3 -1 2.998820 -0.854582 2.015210 Rho 0.1610888E+00 |GRAD(Rho)| 0.3938155E-15 GRAD(Rho)x -0.1973383E-15 GRAD(Rho)y 0.2871509E-15 GRAD(Rho)z 0.1835554E-15 Laplacian 0.6387002E+00 (-1/4)Del**2(Rho)) -0.1596751E+00 Diamond 0.1401329E+01 Metallicity 0.5145467E+01 Ellipticity 0.5242550E-01 Gb(Abramov) 0.2433838E+00 Vb(Abramov) -0.3270926E+00 Hb(Abramov) -0.8370877E-01 Ex_ueg -0.6473493E-01 Ec_ueg -0.9157092E-02 Delta_ex -0.6972999E-01 Delta_ec 0.1577617E-01 Delta_et -0.2116495E+00 Pxc 0.7069377E+01 Qxc -0.4419958E+01 3,-1 160 3 -1 3.421514 -0.013203 -3.226730 Rho 0.2083618E+00 |GRAD(Rho)| 0.1008013E-14 GRAD(Rho)x 0.9011888E-15 GRAD(Rho)y -0.1025655E-15 GRAD(Rho)z -0.4398066E-15 Laplacian 0.7765063E+00 (-1/4)Del**2(Rho)) -0.1941266E+00 Diamond 0.2323631E+01 Metallicity 0.6498776E+01 Ellipticity 0.4799013E-02 Gb(Abramov) 0.3396819E+00 Vb(Abramov) -0.4852372E+00 Hb(Abramov) -0.1455553E+00 Ex_ueg -0.9123100E-01 Ec_ueg -0.1227954E-01 Delta_ex -0.9048808E-01 Delta_ec 0.1794272E-01 Delta_et -0.2469973E+00 Pxc 0.7429515E+01 Qxc -0.5043164E+01 3,-1 161 3 -1 3.197029 3.236624 0.082301 Rho 0.2313592E+00 |GRAD(Rho)| 0.1275998E-13 GRAD(Rho)x 0.7794167E-14 GRAD(Rho)y -0.3272881E-14 GRAD(Rho)z 0.9558055E-14 Laplacian 0.8446742E+00 (-1/4)Del**2(Rho)) -0.2111686E+00 Diamond 0.2862189E+01 Metallicity 0.7113256E+01 Ellipticity 0.4828962E-02 Gb(Abramov) 0.3911284E+00 Vb(Abramov) -0.5710882E+00 Hb(Abramov) -0.1799598E+00 Ex_ueg -0.1048980E+00 Ec_ueg -0.1384384E-01 Delta_ex -0.1011042E+00 Delta_ec 0.1889945E-01 Delta_et -0.2615759E+00 Pxc 0.7577234E+01 Qxc -0.5349586E+01 3,-1 162 3 +1 -2.213346 1.069862 1.455546 Rho 0.2574684E-01 |GRAD(Rho)| 0.1732012E-12 GRAD(Rho)x -0.3742050E-13 GRAD(Rho)y 0.1303401E-12 GRAD(Rho)z -0.1077489E-12 Laplacian 0.9805108E-01 (-1/4)Del**2(Rho)) -0.2451277E-01 Diamond 0.1186814E-01 Metallicity 0.1577735E+01 Ellipticity -0.2591546E+01 Gb(Abramov) 0.2278762E-01 Vb(Abramov) -0.2106248E-01 Hb(Abramov) 0.1725146E-02 Ex_ueg -0.5615008E-02 Ec_ueg -0.1126390E-02 Delta_ex -0.5991224E-02 Delta_ec 0.1386752E-02 Delta_et -0.1238778E-01 Pxc 0.4984961E+01 Qxc -0.4320329E+01 3,+1 163 3 -1 -3.309859 -3.231610 0.070580 Rho 0.2067884E+00 |GRAD(Rho)| 0.3369751E-10 GRAD(Rho)x -0.2329994E-10 GRAD(Rho)y -0.2371469E-10 GRAD(Rho)z 0.5499889E-11 Laplacian 0.7868994E+00 (-1/4)Del**2(Rho)) -0.1967249E+00 Diamond 0.2324696E+01 Metallicity 0.6332436E+01 Ellipticity 0.3702396E-02 Gb(Abramov) 0.3387745E+00 Vb(Abramov) -0.4808241E+00 Hb(Abramov) -0.1420496E+00 Ex_ueg -0.9031362E-01 Ec_ueg -0.1217358E-01 Delta_ex -0.9146472E-01 Delta_ec 0.1812063E-01 Delta_et -0.2489457E+00 Pxc 0.7418821E+01 Qxc -0.5047546E+01 3,-1 164 3 -1 -3.035353 2.047038 0.883079 Rho 0.1473649E+00 |GRAD(Rho)| 0.6859888E-16 GRAD(Rho)x 0.3222791E-16 GRAD(Rho)y -0.2511283E-16 GRAD(Rho)z -0.5510458E-16 Laplacian 0.5757880E+00 (-1/4)Del**2(Rho)) -0.1439470E+00 Diamond 0.1137020E+01 Metallicity 0.4920478E+01 Ellipticity 0.3135876E-01 Gb(Abramov) 0.2140127E+00 Vb(Abramov) -0.2840783E+00 Hb(Abramov) -0.7006566E-01 Ex_ueg -0.5748798E-01 Ec_ueg -0.8275043E-02 Delta_ex -0.6151229E-01 Delta_ec 0.1457799E-01 Delta_et -0.1933643E+00 Pxc 0.6947153E+01 Qxc -0.4219532E+01 3,-1 165 3 -1 -2.859414 -0.577248 1.894815 Rho 0.1278048E+00 |GRAD(Rho)| 0.8495637E-16 GRAD(Rho)x -0.4750161E-16 GRAD(Rho)y -0.7029696E-16 GRAD(Rho)z -0.4418124E-17 Laplacian 0.5450240E+00 (-1/4)Del**2(Rho)) -0.1362560E+00 Diamond 0.9357608E+00 Metallicity 0.4099928E+01 Ellipticity 0.1971347E-01 Gb(Abramov) 0.1839439E+00 Vb(Abramov) -0.2316319E+00 Hb(Abramov) -0.4768795E-01 Ex_ueg -0.4754607E-01 Ec_ueg -0.7038233E-02 Delta_ex -0.5659788E-01 Delta_ec 0.1491777E-01 Delta_et -0.1947822E+00 Pxc 0.6755399E+01 Qxc -0.3793991E+01 3,-1 166 3 -1 -2.018606 3.063785 0.877528 Rho 0.1576596E+00 |GRAD(Rho)| 0.1559514E-13 GRAD(Rho)x -0.8691276E-14 GRAD(Rho)y -0.5810429E-14 GRAD(Rho)z -0.1157191E-13 Laplacian 0.6120270E+00 (-1/4)Del**2(Rho)) -0.1530068E+00 Diamond 0.1315307E+01 Metallicity 0.5180556E+01 Ellipticity 0.3689898E-01 Gb(Abramov) 0.2341145E+00 Vb(Abramov) -0.3152223E+00 Hb(Abramov) -0.8110777E-01 Ex_ueg -0.6290408E-01 Ec_ueg -0.8935625E-02 Delta_ex -0.6652500E-01 Delta_ec 0.1531264E-01 Delta_et -0.2051558E+00 Pxc 0.7039695E+01 Qxc -0.4344451E+01 3,-1 167 3 +3 -1.928079 -1.937123 -1.894127 Rho 0.1061303E-01 |GRAD(Rho)| 0.2709064E-17 GRAD(Rho)x -0.1207127E-17 GRAD(Rho)y -0.9327723E-18 GRAD(Rho)z 0.2238706E-17 Laplacian 0.4554776E-01 (-1/4)Del**2(Rho)) -0.1138694E-01 Diamond 0.8081827E-03 Metallicity 0.7754339E+00 Ellipticity -0.5818918E+00 Gb(Abramov) 0.9062930E-02 Vb(Abramov) -0.6738920E-02 Hb(Abramov) 0.2324010E-02 Ex_ueg -0.1722545E-02 Ec_ueg -0.3959260E-03 Delta_ex -0.1917908E-02 Delta_ec 0.1449759E-03 Delta_et -0.1418531E-02 Pxc 0.4350675E+01 Qxc -0.1322915E+02 3,+3 168 3 -1 -1.728168 -2.137100 -3.078868 Rho 0.3171027E+00 |GRAD(Rho)| 0.5948785E-15 GRAD(Rho)x 0.1959622E-15 GRAD(Rho)y -0.4502497E-15 GRAD(Rho)z -0.3357893E-15 Laplacian -0.1580889E+01 (-1/4)Del**2(Rho)) 0.3952222E+00 Diamond 0.5468991E+01 Metallicity -0.6427544E+01 Ellipticity 0.3677177E-02 Gb(Abramov) 0.1599032E+00 Vb(Abramov) -0.7150287E+00 Hb(Abramov) -0.5551254E+00 Ex_ueg -0.1597049E+00 Ec_ueg -0.1993217E-01 Delta_ex 0.1568532E+00 Delta_ec 0.5518271E-01 Delta_et -0.1304934E+01 Pxc 0.8012420E+01 Qxc 0.2842433E+01 3,-1 169 3 -1 -2.036716 0.890084 3.095755 Rho 0.1215507E+00 |GRAD(Rho)| 0.1130932E-14 GRAD(Rho)x 0.7471508E-15 GRAD(Rho)y 0.5003593E-15 GRAD(Rho)z 0.6858663E-15 Laplacian 0.4983722E+00 (-1/4)Del**2(Rho)) -0.1245931E+00 Diamond 0.8012665E+00 Metallicity 0.4124032E+01 Ellipticity 0.5267400E-02 Gb(Abramov) 0.1686997E+00 Vb(Abramov) -0.2128062E+00 Hb(Abramov) -0.4410660E-01 Ex_ueg -0.4446946E-01 Ec_ueg -0.6648085E-02 Delta_ex -0.5108282E-01 Delta_ec 0.1369907E-01 Delta_et -0.1771335E+00 Pxc 0.6689063E+01 Qxc -0.3728927E+01 3,-1 170 3 +1 -0.260012 -1.342767 -2.628806 Rho 0.2876869E-02 |GRAD(Rho)| 0.1926153E-15 GRAD(Rho)x -0.1138935E-15 GRAD(Rho)y 0.3798515E-16 GRAD(Rho)z 0.1506188E-15 Laplacian 0.1077841E-01 (-1/4)Del**2(Rho)) -0.2694601E-02 Diamond 0.8576853E-04 Metallicity 0.3720420E+00 Ellipticity -0.1330232E+01 Gb(Abramov) 0.1963485E-02 Vb(Abramov) -0.1232369E-02 Hb(Abramov) 0.7311163E-03 Ex_ueg -0.3021888E-03 Ec_ueg -0.5672216E-04 Delta_ex -0.4180143E-03 Delta_ec 0.2218409E-03 Delta_et -0.1068328E-02 Pxc 0.5327527E+01 Qxc -0.1884298E+01 3,+1 171 3 -1 -0.876004 2.025913 3.092898 Rho 0.1342749E+00 |GRAD(Rho)| 0.1889268E-15 GRAD(Rho)x -0.1229214E-15 GRAD(Rho)y 0.9539624E-16 GRAD(Rho)z 0.1071598E-15 Laplacian 0.5422436E+00 (-1/4)Del**2(Rho)) -0.1355609E+00 Diamond 0.9814675E+00 Metallicity 0.4474489E+01 Ellipticity 0.1336878E-01 Gb(Abramov) 0.1914682E+00 Vb(Abramov) -0.2473756E+00 Hb(Abramov) -0.5590733E-01 Ex_ueg -0.5078220E-01 Ec_ueg -0.7444614E-02 Delta_ex -0.5690443E-01 Delta_ec 0.1453745E-01 Delta_et -0.1911551E+00 Pxc 0.6821335E+01 Qxc -0.3914334E+01 3,-1 172 3 -1 -0.574440 -1.825411 2.834773 Rho 0.1563060E+00 |GRAD(Rho)| 0.2368750E-15 GRAD(Rho)x 0.1877025E-15 GRAD(Rho)y 0.6722053E-16 GRAD(Rho)z 0.1279020E-15 Laplacian 0.6466613E+00 (-1/4)Del**2(Rho)) -0.1616653E+00 Diamond 0.1364141E+01 Metallicity 0.4833135E+01 Ellipticity 0.9495246E-02 Gb(Abramov) 0.2380019E+00 Vb(Abramov) -0.3143386E+00 Hb(Abramov) -0.7633662E-01 Ex_ueg -0.6218503E-01 Ec_ueg -0.8848402E-02 Delta_ex -0.7003347E-01 Delta_ec 0.1602444E-01 Delta_et -0.2139848E+00 Pxc 0.7027826E+01 Qxc -0.4370416E+01 3,-1 173 3 -1 -0.544851 1.739541 1.773567 Rho 0.4366908E-01 |GRAD(Rho)| 0.3090063E-13 GRAD(Rho)x 0.9896662E-14 GRAD(Rho)y 0.2060322E-13 GRAD(Rho)z 0.2079452E-13 Laplacian 0.1865216E+00 (-1/4)Del**2(Rho)) -0.4663041E-01 Diamond 0.8447876E-01 Metallicity 0.2000663E+01 Ellipticity 0.2163448E-01 Gb(Abramov) 0.4663557E-01 Vb(Abramov) -0.4664072E-01 Hb(Abramov) -0.5154261E-05 Ex_ueg -0.1135753E-01 Ec_ueg -0.2068034E-02 Delta_ex -0.1514153E-01 Delta_ec 0.6099609E-02 Delta_et -0.6215725E-01 Pxc 0.5491943E+01 Qxc -0.2482378E+01 3,-1 174 3 -1 -0.612345 1.716549 -2.824316 Rho 0.1135315E+00 |GRAD(Rho)| 0.1862216E-15 GRAD(Rho)x 0.1642973E-15 GRAD(Rho)y 0.1639856E-16 GRAD(Rho)z 0.8611615E-16 Laplacian 0.4890337E+00 (-1/4)Del**2(Rho)) -0.1222584E+00 Diamond 0.7327655E+00 Metallicity 0.3750897E+01 Ellipticity 0.1771262E-01 Gb(Abramov) 0.1579354E+00 Vb(Abramov) -0.1936124E+00 Hb(Abramov) -0.3567698E-01 Ex_ueg -0.4060133E-01 Ec_ueg -0.6151793E-02 Delta_ex -0.4944656E-01 Delta_ec 0.1387289E-01 Delta_et -0.1774791E+00 Pxc 0.6599919E+01 Qxc -0.3564259E+01 3,-1 175 3 -1 -0.073157 3.140977 -3.260141 Rho 0.2083654E+00 |GRAD(Rho)| 0.2986614E-14 GRAD(Rho)x 0.1475518E-14 GRAD(Rho)y 0.2511337E-14 GRAD(Rho)z -0.6602249E-15 Laplacian 0.7921169E+00 (-1/4)Del**2(Rho)) -0.1980292E+00 Diamond 0.2359253E+01 Metallicity 0.6370885E+01 Ellipticity 0.3488319E-02 Gb(Abramov) 0.3422897E+00 Vb(Abramov) -0.4865502E+00 Hb(Abramov) -0.1442605E+00 Ex_ueg -0.9123310E-01 Ec_ueg -0.1227978E-01 Delta_ex -0.9223602E-01 Delta_ec 0.1817551E-01 Delta_et -0.2497341E+00 Pxc 0.7429539E+01 Qxc -0.5074743E+01 3,-1 176 3 -1 3.027593 2.015597 -0.816096 Rho 0.1527022E+00 |GRAD(Rho)| 0.3585758E-13 GRAD(Rho)x 0.1746785E-14 GRAD(Rho)y 0.1015896E-13 GRAD(Rho)z -0.3434400E-13 Laplacian 0.6029129E+00 (-1/4)Del**2(Rho)) -0.1507282E+00 Diamond 0.1243840E+01 Metallicity 0.4986175E+01 Ellipticity 0.2550148E-01 Gb(Abramov) 0.2257450E+00 Vb(Abramov) -0.3007618E+00 Hb(Abramov) -0.7501681E-01 Ex_ueg -0.6028078E-01 Ec_ueg -0.8616719E-02 Delta_ex -0.6498903E-01 Delta_ec 0.1515218E-01 Delta_et -0.2020187E+00 Pxc 0.6995793E+01 Qxc -0.4289087E+01 3,-1 177 3 -1 0.421736 0.433135 -0.501076 Rho 0.1803323E+00 |GRAD(Rho)| 0.1878220E-11 GRAD(Rho)x -0.1138048E-11 GRAD(Rho)y -0.1042853E-11 GRAD(Rho)z 0.1070054E-11 Laplacian 0.4756677E+00 (-1/4)Del**2(Rho)) -0.1189169E+00 Diamond 0.1224335E+01 Metallicity 0.8338709E+01 Ellipticity 0.4554276E-02 Gb(Abramov) 0.2445469E+00 Vb(Abramov) -0.3701769E+00 Hb(Abramov) -0.1256300E+00 Ex_ueg -0.7524597E-01 Ec_ueg -0.1041274E-01 Delta_ex -0.5364687E-01 Delta_ec 0.1181668E-01 Delta_et -0.1617957E+00 Pxc 0.7226336E+01 Qxc -0.4539928E+01 3,-1 178 3 +3 1.899369 -1.899024 1.921381 Rho 0.1221539E-01 |GRAD(Rho)| 0.3752703E-17 GRAD(Rho)x 0.1679058E-17 GRAD(Rho)y -0.2977180E-17 GRAD(Rho)z -0.1549175E-17 Laplacian 0.5769518E-01 (-1/4)Del**2(Rho)) -0.1442380E-01 Diamond 0.1392548E-02 Metallicity 0.7738426E+00 Ellipticity -0.7414910E+00 Gb(Abramov) 0.1147616E-01 Vb(Abramov) -0.8528515E-02 Hb(Abramov) 0.2947641E-02 Ex_ueg -0.2077758E-02 Ec_ueg -0.4695214E-03 Delta_ex -0.2573775E-02 Delta_ec 0.2569190E-03 Delta_et -0.2309300E-02 Pxc 0.4425268E+01 Qxc -0.1001784E+02 3,+3 179 3 -1 1.284724 -1.866650 -2.663047 Rho 0.3186588E+00 |GRAD(Rho)| 0.1077200E-14 GRAD(Rho)x -0.3993269E-15 GRAD(Rho)y -0.8085607E-15 GRAD(Rho)z 0.5891749E-15 Laplacian -0.1590080E+01 (-1/4)Del**2(Rho)) 0.3975199E+00 Diamond 0.5553442E+01 Metallicity -0.6442743E+01 Ellipticity 0.2780434E-02 Gb(Abramov) 0.1618398E+00 Vb(Abramov) -0.7211996E+00 Hb(Abramov) -0.5593598E+00 Ex_ueg -0.1607507E+00 Ec_ueg -0.2004642E-01 Delta_ex 0.1579950E+00 Delta_ec 0.5563496E-01 Delta_et -0.1317804E+01 Pxc 0.8018925E+01 Qxc 0.2839852E+01 3,-1 180 3 -1 1.809196 2.796381 0.548197 Rho 0.1569452E+00 |GRAD(Rho)| 0.5126013E-14 GRAD(Rho)x 0.3232766E-14 GRAD(Rho)y -0.1610786E-14 GRAD(Rho)z -0.3637390E-14 Laplacian 0.6529856E+00 (-1/4)Del**2(Rho)) -0.1632464E+00 Diamond 0.1387369E+01 Metallicity 0.4818994E+01 Ellipticity 0.1129557E-01 Gb(Abramov) 0.2399449E+00 Vb(Abramov) -0.3166433E+00 Hb(Abramov) -0.7669845E-01 Ex_ueg -0.6252436E-01 Ec_ueg -0.8889581E-02 Delta_ex -0.7081923E-01 Delta_ec 0.1621666E-01 Delta_et -0.2167951E+00 Pxc 0.7033442E+01 Qxc -0.4367067E+01 3,-1 181 3 -1 2.784743 1.822976 0.573332 Rho 0.1283206E+00 |GRAD(Rho)| 0.2246916E-15 GRAD(Rho)x -0.1741093E-15 GRAD(Rho)y -0.1408650E-15 GRAD(Rho)z 0.1814683E-16 Laplacian 0.5314858E+00 (-1/4)Del**2(Rho)) -0.1328714E+00 Diamond 0.8934252E+00 Metallicity 0.4232679E+01 Ellipticity 0.1044943E-01 Gb(Abramov) 0.1823147E+00 Vb(Abramov) -0.2317579E+00 Hb(Abramov) -0.4944322E-01 Ex_ueg -0.4780208E-01 Ec_ueg -0.7070526E-02 Delta_ex -0.5495659E-01 Delta_ec 0.1401845E-01 Delta_et -0.1822598E+00 Pxc 0.6760753E+01 Qxc -0.3920305E+01 3,-1 182 3 -1 2.831684 -1.858441 -0.564536 Rho 0.1585603E+00 |GRAD(Rho)| 0.3612945E-15 GRAD(Rho)x 0.1003158E-15 GRAD(Rho)y -0.2399339E-15 GRAD(Rho)z 0.2508031E-15 Laplacian 0.6443688E+00 (-1/4)Del**2(Rho)) -0.1610922E+00 Diamond 0.1389398E+01 Metallicity 0.4967478E+01 Ellipticity 0.1389700E-01 Gb(Abramov) 0.2407651E+00 Vb(Abramov) -0.3204381E+00 Hb(Abramov) -0.7967293E-01 Ex_ueg -0.6338370E-01 Ec_ueg -0.8993728E-02 Delta_ex -0.7009376E-01 Delta_ec 0.1601734E-01 Delta_et -0.2145521E+00 Pxc 0.7047545E+01 Qxc -0.4376118E+01 3,-1 183 3 -1 -0.808364 -3.391872 -1.417381 Rho 0.3226880E+00 |GRAD(Rho)| 0.8980607E-15 GRAD(Rho)x -0.4595493E-16 GRAD(Rho)y 0.8929114E-15 GRAD(Rho)z 0.8432329E-16 Laplacian -0.1632388E+01 (-1/4)Del**2(Rho)) 0.4080970E+00 Diamond 0.5681030E+01 Metallicity -0.6408571E+01 Ellipticity 0.1255095E-02 Gb(Abramov) 0.1638218E+00 Vb(Abramov) -0.7357406E+00 Hb(Abramov) -0.5719188E+00 Ex_ueg -0.1634665E+00 Ec_ueg -0.2034287E-01 Delta_ex 0.1633848E+00 Delta_ec 0.5643068E-01 Delta_et -0.1346063E+01 Pxc 0.8035568E+01 Qxc 0.2895319E+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 80 113 172 112 130 141 124 120 119 177 108 126 174 115 139 134 175 173 129 133 171 103 135 144 182 149 151 123 156 138 181 180 176 136 161 81 84 57 164 166 61 69 79 95 59 94 163 78 76 91 62 82 67 64 165 86 73 169 74 145 155 146 159 153 157 147 154 152 158 148 160 56 122 83 179 117 106 140 168 63 183 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 21 21 25 28 28 36 37 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 36 54 27 53 54 52 52 53 2.385716 1.900082 1.890626 1.990982 1.958076 1.757781 1.720667 1.690194 1.711923 1.719547 2.376653 2.017583 2.032470 1.984829 2.036029 1.797534 2.414056 1.987895 2.026183 1.965401 2.051949 1.800087 2.445228 1.895425 1.806018 2.082325 1.991909 1.765119 2.454610 1.975957 1.898380 1.918199 1.919204 1.757436 2.391299 1.985377 1.906260 1.933084 1.906033 1.757986 2.377816 1.955953 2.052067 2.010676 2.061348 1.800320 2.362939 1.920475 1.907382 1.942218 1.976841 1.757275 2.443373 1.975475 2.031749 2.027672 2.003903 1.799737 2.462845 1.933295 1.927768 1.896680 1.948723 1.756494 2.495445 2.044937 1.982911 2.038375 1.982472 1.797949 3.463808 3.226752 3.429944 0.995554 3.284246 1.869819 1.778681 0.998956 1.881854 0.994232 2.387478 1.900407 1.890947 1.991539 1.958658 1.757790 1.720682 1.690242 1.711941 1.719553 2.378662 2.017859 2.032684 1.985146 2.036319 1.797543 2.416240 1.988162 2.026376 1.965684 2.052231 1.800091 2.446698 1.895696 1.806136 2.082774 1.992465 1.765144 2.456209 1.976353 1.898738 1.918725 1.919673 1.757446 2.392995 1.985721 1.906608 1.933620 1.906458 1.757997 2.380398 1.956159 2.052263 2.011015 2.061949 1.800332 2.364934 1.920908 1.907691 1.942753 1.977737 1.757286 2.445289 1.975657 2.031944 2.027946 2.004202 1.799741 2.464474 1.933775 1.928136 1.897181 1.949252 1.756503 2.497569 2.045176 1.983899 2.038665 1.982765 1.797952 3.554021 3.228939 3.431696 0.995614 3.288620 1.870332 1.784276 0.999018 1.885260 0.994307 30 25 26 27 25 23 24 23 21 22 28 25 30 25 26 23 27 25 25 25 27 25 29 25 25 28 25 24 29 27 25 25 27 24 31 27 27 26 26 24 30 28 26 27 27 24 30 27 29 28 28 24 30 25 30 27 27 25 29 25 25 26 26 22 29 26 27 25 25 25 39 37 37 19 37 28 25 19 28 18 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 W As Ta Ta W W W Ta W Ta 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 H 2.4277 2.4678 2.2094 2.2132 2.3679 2.4231 2.4234 2.1903 2.4538 2.1941 2.4223 2.1835 -1.1085 -1.0300 -1.1092 -1.1143 -1.0148 -0.9944 -0.9687 -0.9758 -0.8655 -0.9912 -0.9885 -0.9823 -0.9819 -0.9858 -0.9823 -0.9239 -0.9919 -1.0250 -1.0101 -1.0123 -0.9973 -1.0433 -1.0443 -0.8440 -0.9223 -1.0042 -1.0077 -1.0073 -0.8583 -0.9566 -0.9495 -0.9579 -0.8782 -0.8606 -0.8588 -0.9583 -0.8549 -0.9593 -0.8564 0.2808 0.3247 0.2932 2.1057 0.8444 2.1111 2.1056 2.1222 2.1109 2.1107 2.1251 2.1142 2.1158 2.1027 2.1220 1.9362 1.9440 1.9369 1.9332 1.9229 1.9274 1.9290 1.9279 1.8657 1.9263 1.9290 1.9278 1.9281 1.9287 1.9285 1.9546 1.9373 1.9328 1.9343 1.9341 1.9355 1.9290 1.9289 1.8729 1.8705 1.9359 1.9353 1.9345 1.9555 1.9383 1.9395 1.9384 1.9522 1.9553 1.9549 1.9383 1.9548 1.9387 1.9552 0.5755 0.5357 0.5526 6.1012 1.1421 6.0808 6.0741 6.1139 6.1016 6.1004 6.0923 6.0972 6.0841 6.1006 6.0891 5.1357 5.0495 5.1371 5.1458 5.0674 5.0396 5.0109 5.0194 4.9724 5.0382 5.0330 5.0276 5.0272 5.0299 5.0267 4.9379 5.0259 5.0639 5.0482 5.0507 5.0323 5.0892 5.0900 4.9418 5.0242 5.0397 5.0436 5.0444 4.8706 4.9926 4.9841 4.9939 4.8949 4.8732 4.8718 4.9946 4.8681 4.9950 4.8688 0.1437 0.1396 0.1542 3.3357 10.5457 2.5643 2.5724 3.3669 3.3347 3.3359 2.5580 3.3051 2.5715 3.3448 2.5716 0.0366 0.0365 0.0353 0.0353 0.0245 0.0273 0.0288 0.0284 0.0274 0.0267 0.0265 0.0270 0.0266 0.0273 0.0270 0.0314 0.0287 0.0283 0.0277 0.0275 0.0295 0.0251 0.0254 0.0293 0.0275 0.0286 0.0288 0.0284 0.0322 0.0257 0.0259 0.0256 0.0311 0.0322 0.0321 0.0254 0.0320 0.0256 0.0324 0.0000 0.0000 0.0000 14.0296 0.0000 14.0344 14.0347 14.0291 14.0297 14.0297 14.0343 14.0297 14.0345 14.0296 14.0338 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 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 54 W As Ta Ta W W W Ta W Ta 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 H 2.498417 2.311052 2.368058 2.363583 2.473517 2.498107 2.498552 2.372763 2.519578 2.359878 2.497636 2.361874 -1.090563 -1.040487 -1.096972 -1.103711 -1.052827 -1.012603 -0.994065 -0.996249 -0.707767 -1.018567 -1.005782 -1.013289 -1.010814 -1.007353 -1.011102 -0.824737 -0.996897 -1.015355 -1.020338 -1.020280 -0.996293 -1.052810 -1.060571 -0.671521 -0.660529 -1.010774 -1.001753 -1.014665 -0.908407 -1.048876 -1.038236 -1.048802 -0.935807 -0.911457 -0.910094 -1.048967 -0.904540 -1.051056 -0.906634 0.034863 0.037018 0.026654 1.923489 1.730852 1.844254 1.839578 1.897461 1.928860 1.929031 1.852814 1.947527 1.836190 1.924145 1.867323 -0.711289 -0.691101 -0.723644 -0.726608 -0.803454 -0.787173 -0.740395 -0.745401 -0.909666 -0.775957 -0.755747 -0.781767 -0.766156 -0.773675 -0.766829 -0.685539 -0.840098 -0.863541 -0.852790 -0.865460 -0.830435 -0.873894 -0.904860 -0.854493 -0.928598 -0.858144 -0.831289 -0.859855 -0.832379 -0.983926 -0.981807 -0.993246 -0.862171 -0.833692 -0.830906 -0.981686 -0.815669 -0.998142 -0.829343 0.331168 0.292932 0.305202 2.039744 1.672281 1.961645 1.959420 2.004450 2.042142 2.040485 1.981294 2.082714 1.961159 2.040258 1.974505 -0.781879 -0.790805 -0.794056 -0.799485 -0.896320 -0.865263 -0.820408 -0.829734 -0.906622 -0.861164 -0.841659 -0.855558 -0.850932 -0.873816 -0.847505 -0.770417 -0.870815 -0.913153 -0.894998 -0.900033 -0.863390 -0.927434 -0.944577 -0.886935 -0.935716 -0.884967 -0.875455 -0.894231 -0.793469 -0.972605 -0.957495 -0.968019 -0.828232 -0.799344 -0.796884 -0.971618 -0.809731 -0.971000 -0.793898 0.433988 0.310671 0.334869 3.41634364 -4.87906843 -3.71576229 7.02022806 -20.11258720 -14.45783129 30.52034537 20.85445858 17.82104130 -0.74187138 -367.9578 422.1337 -2.8548 -431.4597 -95.7054 -475.8441 Jun20-2024 06:39:56 Nodes: 1 Procs: 1 Jun20-2024 06:39:58 Nodes: 1 Procs: 1 0 Jun20-2024 06:40:01 Nodes: 1 Procs: 1 Jun20-2024 06:40:03 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 06:40:05 Nodes: 1 Procs: 1 Jun20-2024 06:40:08 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 06:40:11 Nodes: 1 Procs: 1 Jun20-2024 06:40:13 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 06:40:15 Nodes: 1 Procs: 1 Jun20-2024 06:40:17 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 06:40:22 Nodes: 1 Procs: 5 *** (NO TITLE) *** -9 -17.04712364 -17.35057009 -17.34949555 -17.18199789 -17.34086586 -17.44279004 -17.46016182 -17.46440092 -17.46797003 -17.46840308 -17.47245159 -17.47863222 -17.48189005 -17.48295051 -17.48350284 -17.48573052 -17.48622347 -17.48649581 -17.48669777 -17.48681734 -17.48686853 -17.48691728 -17.48692575 -17.48694813 GEOMETRY CONVERGED