ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:09:10 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.72 0.04 1.50 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 Jun10-2024 18:09:10 Nodes: 1 Procs: 1 Jun10-2024 18:09:12 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:09:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.09 2.61 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun10-2024 18:09:10 Nodes: 1 Procs: 1 Jun10-2024 18:09:12 Nodes: 1 Procs: 1 0 Jun10-2024 18:09:14 Nodes: 1 Procs: 1 Jun10-2024 18:09:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:09:19 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.36 0.08 1.83 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 Jun10-2024 18:09:10 Nodes: 1 Procs: 1 Jun10-2024 18:09:12 Nodes: 1 Procs: 1 0 Jun10-2024 18:09:14 Nodes: 1 Procs: 1 Jun10-2024 18:09:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 18:09:19 Nodes: 1 Procs: 1 Jun10-2024 18:09:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:09:23 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.93 0.04 1.64 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 Jun10-2024 18:09:10 Nodes: 1 Procs: 1 Jun10-2024 18:09:12 Nodes: 1 Procs: 1 0 Jun10-2024 18:09:14 Nodes: 1 Procs: 1 Jun10-2024 18:09:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 18:09:19 Nodes: 1 Procs: 1 Jun10-2024 18:09:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 18:09:23 Nodes: 1 Procs: 1 Jun10-2024 18:09:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:09:27 Hydrogen (TZP) c1-55 c1-55 c1-55 c1-55 c1-55 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.46 0.06 3.05 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 Jun10-2024 18:09:10 Nodes: 1 Procs: 1 Jun10-2024 18:09:12 Nodes: 1 Procs: 1 0 Jun10-2024 18:09:14 Nodes: 1 Procs: 1 Jun10-2024 18:09:16 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 18:09:19 Nodes: 1 Procs: 1 Jun10-2024 18:09:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 18:09:23 Nodes: 1 Procs: 1 Jun10-2024 18:09:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 18:09:27 Nodes: 1 Procs: 1 Jun10-2024 18:09:30 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:09:35 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2193.7381999999993 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3.750992 0.254172 -3.803573 3.692812 -0.200238 -3.912058 -3.653788 0.273669 -3.785664 0.378264 -3.707529 -3.703413 -0.200287 3.845510 3.711989 0.171085 3.836147 -1.619011 -2.374371 -2.942426 -0.635262 -3.403063 -1.232999 1.177977 -1.987354 -2.424466 1 3 -3 0.094618 -2.597342 2.490465 Rho 0.4361414E+07 3,-3 2 3 -3 -0.080378 2.546504 2.505249 Rho 0.4361414E+07 3,-3 3 3 -3 2.497782 -2.571464 -0.000470 Rho 0.4361414E+07 3,-3 4 3 -3 -2.539016 -0.071002 -2.588358 Rho 0.4361414E+07 3,-3 5 3 -3 2.587813 0.120462 -2.577848 Rho 0.4361414E+07 3,-3 6 3 -3 -0.061183 -0.047708 -0.054414 Rho 0.4276081E+05 3,-3 7 3 -3 0.133606 2.579887 -2.486541 Rho 0.1240648E+06 3,-3 8 3 -3 2.617703 2.510348 -0.048620 Rho 0.1240649E+06 3,-3 9 3 -3 -2.619432 2.496657 0.163983 Rho 0.1240649E+06 3,-3 10 3 -3 -2.699645 -2.493288 -0.113746 Rho 0.1240649E+06 3,-3 11 3 -3 -2.511351 0.088080 2.638245 Rho 0.1240648E+06 3,-3 12 3 -3 2.557499 -0.195139 2.612510 Rho 0.1240649E+06 3,-3 13 3 -3 0.937630 -1.028940 0.933317 Rho 0.3190090E+03 3,-3 14 3 -3 -1.083149 -0.974999 -1.021748 Rho 0.3190799E+03 3,-3 15 3 -3 0.980795 0.932053 -0.985467 Rho 0.3190248E+03 3,-3 16 3 -3 -0.966222 0.960808 0.993259 Rho 0.3190035E+03 3,-3 17 3 -3 -3.031996 -1.142668 1.227308 Rho 0.3190086E+03 3,-3 18 3 -3 3.060085 -1.103607 -1.108763 Rho 0.3188548E+03 3,-3 19 3 -3 -3.018072 1.102442 -1.119180 Rho 0.3189420E+03 3,-3 20 3 -3 3.026019 1.201918 1.220276 Rho 0.3190368E+03 3,-3 21 3 -3 1.356410 -1.246707 -3.084824 Rho 0.3187368E+03 3,-3 22 3 -3 1.137355 1.188136 2.981782 Rho 0.3189503E+03 3,-3 23 3 -3 -1.146532 1.075744 -3.039872 Rho 0.3189556E+03 3,-3 24 3 -3 -1.143392 -1.147456 3.062468 Rho 0.3189766E+03 3,-3 25 3 -3 -1.177236 2.945865 -1.185938 Rho 0.3190274E+03 3,-3 26 3 -3 -1.185451 -2.974527 1.179165 Rho 0.3189517E+03 3,-3 27 3 -3 1.120434 3.037474 1.093427 Rho 0.3189422E+03 3,-3 28 3 -3 1.225374 -3.083254 -1.159152 Rho 0.3191685E+03 3,-3 29 3 -3 3.405988 -1.464511 1.570589 Rho 0.3191351E+03 3,-3 30 3 -3 -3.530276 -1.510448 -1.468923 Rho 0.3190983E+03 3,-3 31 3 -3 3.438810 1.536069 -1.484395 Rho 0.3190516E+03 3,-3 32 3 -3 -3.449670 1.502649 1.554916 Rho 0.3191173E+03 3,-3 33 3 -3 1.451386 -1.493528 3.457468 Rho 0.3190466E+03 3,-3 34 3 -3 1.533542 1.463156 -3.421151 Rho 0.3190339E+03 3,-3 35 3 -3 -1.526702 1.570039 3.412793 Rho 0.3190488E+03 3,-3 36 3 -3 -1.913139 -1.633490 -3.534054 Rho 0.3187422E+03 3,-3 37 3 -3 -1.611039 -3.547451 -1.377455 Rho 0.3188000E+03 3,-3 38 3 -3 -1.534985 3.412323 1.470532 Rho 0.3190568E+03 3,-3 39 3 -3 1.552981 -3.403299 1.555482 Rho 0.3189652E+03 3,-3 40 3 -3 1.536247 3.401695 -1.539490 Rho 0.3191266E+03 3,-3 41 3 -3 -0.220319 -3.791204 3.705742 Rho 0.3193622E+03 3,-3 42 3 -3 3.864374 -0.102875 -3.729591 Rho 0.3193475E+03 3,-3 43 3 -3 -0.197719 3.731146 -3.724318 Rho 0.3195062E+03 3,-3 44 3 -3 0.220448 3.781927 3.683597 Rho 0.3193576E+03 3,-3 45 3 -3 3.783288 -3.725763 -0.207795 Rho 0.3193206E+03 3,-3 46 3 -3 3.771930 3.750992 0.254172 Rho 0.3195049E+03 3,-3 47 3 -3 -3.803573 3.692812 -0.200238 Rho 0.3195063E+03 3,-3 48 3 -3 -3.912058 -3.653788 0.273669 Rho 0.3195027E+03 3,-3 49 3 -3 -3.785664 0.378264 -3.707529 Rho 0.3193527E+03 3,-3 50 3 -3 -3.703413 -0.200287 3.845510 Rho 0.3195104E+03 3,-3 51 3 -3 3.711989 0.171085 3.836147 Rho 0.3195011E+03 3,-3 52 3 -3 -1.619011 -2.374371 -2.942426 Rho 0.4461471E+00 3,-3 53 3 -3 -0.635262 -3.403063 -1.232999 Rho 0.4417322E+00 3,-3 54 3 -3 1.177977 -1.987354 -2.424466 Rho 0.4275833E+00 3,-3 55 3 +1 -2.181676 1.088633 1.388363 Rho 0.2593641E-01 |GRAD(Rho)| 0.3556144E-12 GRAD(Rho)x 0.3121820E-12 GRAD(Rho)y -0.4078454E-13 GRAD(Rho)z -0.1653500E-12 Laplacian 0.1020028E+00 (-1/4)Del**2(Rho)) -0.2550069E-01 Diamond 0.1424872E-01 Metallicity 0.1535269E+01 Ellipticity -0.4075644E+01 Gb(Abramov) 0.2352553E-01 Vb(Abramov) -0.2155036E-01 Hb(Abramov) 0.1975162E-02 Ex_ueg -0.5670197E-02 Ec_ueg -0.1135976E-02 Delta_ex -0.6428949E-02 Delta_ec 0.1770617E-02 Delta_et -0.1576220E-01 Pxc 0.4991478E+01 Qxc -0.3630909E+01 3,+1 56 3 -1 -1.774234 -0.511261 -1.761181 Rho 0.5577677E-01 |GRAD(Rho)| 0.5044614E-14 GRAD(Rho)x -0.3552493E-14 GRAD(Rho)y 0.2382657E-14 GRAD(Rho)z -0.2674112E-14 Laplacian 0.2244274E+00 (-1/4)Del**2(Rho)) -0.5610684E-01 Diamond 0.1325775E+00 Metallicity 0.2500113E+01 Ellipticity 0.1847161E-01 Gb(Abramov) 0.6078347E-01 Vb(Abramov) -0.6546010E-01 Hb(Abramov) -0.4676627E-02 Ex_ueg -0.1573945E-01 Ec_ueg -0.2736596E-02 Delta_ex -0.1901239E-01 Delta_ec 0.6719916E-02 Delta_et -0.7290845E-01 Pxc 0.5751471E+01 Qxc -0.2829260E+01 3,-1 57 3 +1 -1.766982 -1.726193 1.796963 Rho 0.1207218E-01 |GRAD(Rho)| 0.1872370E-15 GRAD(Rho)x 0.1312077E-15 GRAD(Rho)y -0.1335684E-15 GRAD(Rho)z -0.1307092E-17 Laplacian 0.6032882E-01 (-1/4)Del**2(Rho)) -0.1508221E-01 Diamond 0.2434691E-02 Metallicity 0.7256569E+00 Ellipticity -0.1258967E+01 Gb(Abramov) 0.1187889E-01 Vb(Abramov) -0.8675571E-02 Hb(Abramov) 0.3203318E-02 Ex_ueg -0.2045343E-02 Ec_ueg -0.4629022E-03 Delta_ex -0.2969361E-02 Delta_ec 0.7817059E-03 Delta_et -0.5871136E-02 Pxc 0.4418520E+01 Qxc -0.3798565E+01 3,+1 58 3 -1 -3.120022 -1.961212 -0.834245 Rho 0.1617732E+00 |GRAD(Rho)| 0.2830316E-15 GRAD(Rho)x -0.2346620E-15 GRAD(Rho)y 0.3309527E-16 GRAD(Rho)z -0.1547428E-15 Laplacian 0.6334324E+00 (-1/4)Del**2(Rho)) -0.1583581E+00 Diamond 0.1389548E+01 Metallicity 0.5225051E+01 Ellipticity 0.9350727E-01 Gb(Abramov) 0.2434769E+00 Vb(Abramov) -0.3285957E+00 Hb(Abramov) -0.8511882E-01 Ex_ueg -0.6510192E-01 Ec_ueg -0.9201379E-02 Delta_ex -0.6916190E-01 Delta_ec 0.1551146E-01 Delta_et -0.2079021E+00 Pxc 0.7075236E+01 Qxc -0.4458761E+01 3,-1 59 3 +1 -2.286301 -1.192058 -1.254297 Rho 0.2875233E-01 |GRAD(Rho)| 0.3952621E-16 GRAD(Rho)x 0.3738891E-16 GRAD(Rho)y 0.1219265E-16 GRAD(Rho)z 0.3966003E-17 Laplacian 0.1192172E+00 (-1/4)Del**2(Rho)) -0.2980430E-01 Diamond 0.2092245E-01 Metallicity 0.1559778E+01 Ellipticity -0.9490659E+01 Gb(Abramov) 0.2761755E-01 Vb(Abramov) -0.2543080E-01 Hb(Abramov) 0.2186752E-02 Ex_ueg -0.6505527E-02 Ec_ueg -0.1279432E-02 Delta_ex -0.7880024E-02 Delta_ec 0.2347775E-02 Delta_et -0.2139606E-01 Pxc 0.5084698E+01 Qxc -0.3356380E+01 3,+1 60 3 +1 0.557331 0.454974 1.661883 Rho 0.8158454E-02 |GRAD(Rho)| 0.6034674E-14 GRAD(Rho)x -0.4209856E-14 GRAD(Rho)y 0.2436609E-14 GRAD(Rho)z -0.3571742E-14 Laplacian 0.3209326E-01 (-1/4)Del**2(Rho)) -0.8023316E-02 Diamond 0.8124616E-03 Metallicity 0.7099249E+00 Ellipticity -0.1433231E+01 Gb(Abramov) 0.6298203E-02 Vb(Abramov) -0.4573089E-02 Hb(Abramov) 0.1725113E-02 Ex_ueg -0.1213004E-02 Ec_ueg -0.2852677E-03 Delta_ex -0.1453099E-02 Delta_ec 0.4629224E-03 Delta_et -0.3112051E-02 Pxc 0.4252161E+01 Qxc -0.3138968E+01 3,+1 61 3 -1 -3.043599 -0.827234 -1.985803 Rho 0.1034931E+00 |GRAD(Rho)| 0.2189339E-15 GRAD(Rho)x 0.6674620E-18 GRAD(Rho)y -0.1001261E-15 GRAD(Rho)z 0.1946956E-15 Laplacian 0.3950444E+00 (-1/4)Del**2(Rho)) -0.9876110E-01 Diamond 0.5165146E+00 Metallicity 0.3979419E+01 Ellipticity 0.3874335E-02 Gb(Abramov) 0.1313427E+00 Vb(Abramov) -0.1639243E+00 Hb(Abramov) -0.3258160E-01 Ex_ueg -0.3588671E-01 Ec_ueg -0.5537134E-02 Delta_ex -0.3888005E-01 Delta_ec 0.1106112E-01 Delta_et -0.1384982E+00 Pxc 0.6481099E+01 Qxc -0.3515018E+01 3,-1 62 3 +1 -2.925257 -0.185192 -0.112633 Rho 0.5497293E-02 |GRAD(Rho)| 0.7434271E-17 GRAD(Rho)x -0.1001768E-17 GRAD(Rho)y -0.7334178E-17 GRAD(Rho)z 0.6889758E-18 Laplacian 0.2272500E-01 (-1/4)Del**2(Rho)) -0.5681250E-02 Diamond 0.5781423E-03 Metallicity 0.5192271E+00 Ellipticity -0.2953116E+01 Gb(Abramov) 0.4279143E-02 Vb(Abramov) -0.2877036E-02 Hb(Abramov) 0.1402107E-02 Ex_ueg -0.7165561E-03 Ec_ueg -0.1683757E-03 Delta_ex -0.1131340E-02 Delta_ec 0.6807164E-03 Delta_et -0.3817473E-02 Pxc 0.4255698E+01 Qxc -0.1661984E+01 3,+1 63 3 +1 -1.712318 -0.534685 0.565003 Rho 0.8721582E-02 |GRAD(Rho)| 0.2321135E-13 GRAD(Rho)x 0.6565962E-14 GRAD(Rho)y 0.2223131E-13 GRAD(Rho)z -0.1193261E-14 Laplacian 0.3306050E-01 (-1/4)Del**2(Rho)) -0.8265124E-02 Diamond 0.9219285E-03 Metallicity 0.7702457E+00 Ellipticity -0.1513836E+01 Gb(Abramov) 0.6571112E-02 Vb(Abramov) -0.4877100E-02 Hb(Abramov) 0.1694012E-02 Ex_ueg -0.1325904E-02 Ec_ueg -0.3104233E-03 Delta_ex -0.1524599E-02 Delta_ec 0.4810811E-03 Delta_et -0.3287220E-02 Pxc 0.4271277E+01 Qxc -0.3169111E+01 3,+1 64 3 -1 -3.252316 3.136446 -0.030259 Rho 0.2365888E+00 |GRAD(Rho)| 0.1369594E-13 GRAD(Rho)x -0.2286908E-14 GRAD(Rho)y 0.1236495E-13 GRAD(Rho)z 0.5427435E-14 Laplacian 0.8540004E+00 (-1/4)Del**2(Rho)) -0.2135001E+00 Diamond 0.2975555E+01 Metallicity 0.7302618E+01 Ellipticity 0.2071171E-02 Gb(Abramov) 0.4021850E+00 Vb(Abramov) -0.5908699E+00 Hb(Abramov) -0.1886849E+00 Ex_ueg -0.1080713E+00 Ec_ueg -0.1420362E-01 Delta_ex -0.1028327E+00 Delta_ec 0.1901137E-01 Delta_et -0.2634904E+00 Pxc 0.7608716E+01 Qxc -0.5409012E+01 3,-1 65 3 +1 -1.335746 2.155143 1.125678 Rho 0.2824796E-01 |GRAD(Rho)| 0.2720653E-12 GRAD(Rho)x -0.1113502E-12 GRAD(Rho)y 0.2308006E-12 GRAD(Rho)z 0.9138796E-13 Laplacian 0.1145564E+00 (-1/4)Del**2(Rho)) -0.2863910E-01 Diamond 0.1858090E-01 Metallicity 0.1576058E+01 Ellipticity -0.5405750E+01 Gb(Abramov) 0.2661555E-01 Vb(Abramov) -0.2459200E-01 Hb(Abramov) 0.2023551E-02 Ex_ueg -0.6353815E-02 Ec_ueg -0.1253594E-02 Delta_ex -0.7440741E-02 Delta_ec 0.2084515E-02 Delta_et -0.1893300E-01 Pxc 0.5068478E+01 Qxc -0.3569532E+01 3,+1 66 3 -1 -3.213549 0.170788 -3.193383 Rho 0.2456059E+00 |GRAD(Rho)| 0.7272708E-15 GRAD(Rho)x -0.2790736E-15 GRAD(Rho)y 0.2014990E-15 GRAD(Rho)z -0.6406551E-15 Laplacian 0.9151353E+00 (-1/4)Del**2(Rho)) -0.2287838E+00 Diamond 0.3301093E+01 Metallicity 0.7253137E+01 Ellipticity 0.4788601E-02 Gb(Abramov) 0.4290893E+00 Vb(Abramov) -0.6293947E+00 Hb(Abramov) -0.2003055E+00 Ex_ueg -0.1135979E+00 Ec_ueg -0.1482749E-01 Delta_ex -0.1110988E+00 Delta_ec 0.1983138E-01 Delta_et -0.2737765E+00 Pxc 0.7661298E+01 Qxc -0.5602172E+01 3,-1 67 3 -1 -2.931280 -0.049918 0.022764 Rho 0.5519184E-02 |GRAD(Rho)| 0.2619319E-17 GRAD(Rho)x 0.2256986E-17 GRAD(Rho)y 0.4828672E-19 GRAD(Rho)z -0.1328351E-17 Laplacian 0.2227926E-01 (-1/4)Del**2(Rho)) -0.5569815E-02 Diamond 0.6804526E-03 Metallicity 0.5331350E+00 Ellipticity 0.2682356E+01 Gb(Abramov) 0.4208120E-02 Vb(Abramov) -0.2846426E-02 Hb(Abramov) 0.1361694E-02 Ex_ueg -0.7203632E-03 Ec_ueg -0.1693234E-03 Delta_ex -0.1200061E-02 Delta_ec 0.8281109E-03 Delta_et -0.4582081E-02 Pxc 0.4254364E+01 Qxc -0.1449154E+01 3,-1 68 3 +1 -2.931206 0.173680 0.244763 Rho 0.5434815E-02 |GRAD(Rho)| 0.1620577E-16 GRAD(Rho)x 0.1206025E-17 GRAD(Rho)y 0.1118911E-16 GRAD(Rho)z -0.1166089E-16 Laplacian 0.2271129E-01 (-1/4)Del**2(Rho)) -0.5677822E-02 Diamond 0.5464828E-03 Metallicity 0.5097369E+00 Ellipticity -0.2209147E+01 Gb(Abramov) 0.4267580E-02 Vb(Abramov) -0.2857339E-02 Hb(Abramov) 0.1410241E-02 Ex_ueg -0.7057184E-03 Ec_ueg -0.1656724E-03 Delta_ex -0.1109402E-02 Delta_ec 0.6469403E-03 Delta_et -0.3629750E-02 Pxc 0.4259722E+01 Qxc -0.1714844E+01 3,+1 69 3 -1 -3.149160 -0.065047 3.283753 Rho 0.2373488E+00 |GRAD(Rho)| 0.8064932E-12 GRAD(Rho)x 0.5578967E-12 GRAD(Rho)y 0.1419982E-12 GRAD(Rho)z -0.5648177E-12 Laplacian 0.8527472E+00 (-1/4)Del**2(Rho)) -0.2131868E+00 Diamond 0.2987314E+01 Metallicity 0.7352547E+01 Ellipticity 0.3824585E-03 Gb(Abramov) 0.4033689E+00 Vb(Abramov) -0.5935509E+00 Hb(Abramov) -0.1901821E+00 Ex_ueg -0.1085345E+00 Ec_ueg -0.1425603E-01 Delta_ex -0.1027927E+00 Delta_ec 0.1901027E-01 Delta_et -0.2637022E+00 Pxc 0.7613230E+01 Qxc -0.5407220E+01 3,-1 70 3 -1 -2.984608 0.831014 2.055068 Rho 0.1133722E+00 |GRAD(Rho)| 0.1222289E-12 GRAD(Rho)x 0.5109076E-13 GRAD(Rho)y -0.8559836E-13 GRAD(Rho)z 0.7072870E-13 Laplacian 0.4419891E+00 (-1/4)Del**2(Rho)) -0.1104973E+00 Diamond 0.6359851E+00 Metallicity 0.4140437E+01 Ellipticity 0.3277648E-01 Gb(Abramov) 0.1499160E+00 Vb(Abramov) -0.1893348E+00 Hb(Abramov) -0.3941874E-01 Ex_ueg -0.4052541E-01 Ec_ueg -0.6141983E-02 Delta_ex -0.4431097E-01 Delta_ec 0.1189206E-01 Delta_et -0.1511628E+00 Pxc 0.6598099E+01 Qxc -0.3726097E+01 3,-1 71 3 +1 -1.356109 1.100025 2.182919 Rho 0.2802296E-01 |GRAD(Rho)| 0.9729251E-16 GRAD(Rho)x -0.2162299E-16 GRAD(Rho)y 0.2201410E-16 GRAD(Rho)z 0.9226949E-16 Laplacian 0.1127502E+00 (-1/4)Del**2(Rho)) -0.2818755E-01 Diamond 0.1739096E-01 Metallicity 0.1580105E+01 Ellipticity -0.4091201E+01 Gb(Abramov) 0.2621491E-01 Vb(Abramov) -0.2424227E-01 Hb(Abramov) 0.1972637E-02 Ex_ueg -0.6286424E-02 Ec_ueg -0.1242087E-02 Delta_ex -0.7242847E-02 Delta_ec 0.1935601E-02 Delta_et -0.1756174E-01 Pxc 0.5061177E+01 Qxc -0.3741911E+01 3,+1 72 3 +1 -0.537941 -0.558120 1.683175 Rho 0.8380429E-02 |GRAD(Rho)| 0.3585408E-17 GRAD(Rho)x -0.4312093E-19 GRAD(Rho)y 0.3446751E-17 GRAD(Rho)z 0.9865088E-18 Laplacian 0.3273467E-01 (-1/4)Del**2(Rho)) -0.8183668E-02 Diamond 0.8331393E-03 Metallicity 0.7278619E+00 Ellipticity -0.1416626E+01 Gb(Abramov) 0.6448542E-02 Vb(Abramov) -0.4713416E-02 Hb(Abramov) 0.1735126E-02 Ex_ueg -0.1257207E-02 Ec_ueg -0.2951667E-03 Delta_ex -0.1479848E-02 Delta_ec 0.4501815E-03 Delta_et -0.3065115E-02 Pxc 0.4259312E+01 Qxc -0.3287225E+01 3,+1 73 3 +3 -2.368367 0.018542 0.095339 Rho 0.4823140E-02 |GRAD(Rho)| 0.1708187E-14 GRAD(Rho)x 0.1561877E-15 GRAD(Rho)y -0.1700575E-14 GRAD(Rho)z -0.3943304E-16 Laplacian 0.1981818E-01 (-1/4)Del**2(Rho)) -0.4954544E-02 Diamond 0.1941659E-03 Metallicity 0.4787394E+00 Ellipticity -0.3794826E+00 Gb(Abramov) 0.3698352E-02 Vb(Abramov) -0.2442160E-02 Hb(Abramov) 0.1256192E-02 Ex_ueg -0.6018545E-03 Ec_ueg -0.1393097E-03 Delta_ex -0.7387209E-03 Delta_ec 0.1958899E-03 Delta_et -0.1226167E-02 Pxc 0.4320262E+01 Qxc -0.3771103E+01 3,+3 74 3 -1 -3.347519 -3.114279 0.092552 Rho 0.2362189E+00 |GRAD(Rho)| 0.5691563E-15 GRAD(Rho)x 0.1192622E-17 GRAD(Rho)y -0.5600446E-15 GRAD(Rho)z 0.1014271E-15 Laplacian 0.8588386E+00 (-1/4)Del**2(Rho)) -0.2147097E+00 Diamond 0.2983264E+01 Metallicity 0.7242569E+01 Ellipticity 0.1888401E-02 Gb(Abramov) 0.4023147E+00 Vb(Abramov) -0.5899197E+00 Hb(Abramov) -0.1876050E+00 Ex_ueg -0.1078461E+00 Ec_ueg -0.1417813E-01 Delta_ex -0.1033540E+00 Delta_ec 0.1909370E-01 Delta_et -0.2644678E+00 Pxc 0.7606514E+01 Qxc -0.5412990E+01 3,-1 75 3 +3 1.134242 1.055217 1.070444 Rho 0.4624575E-02 |GRAD(Rho)| 0.8771358E-15 GRAD(Rho)x -0.1526799E-15 GRAD(Rho)y 0.3453011E-15 GRAD(Rho)z -0.7917217E-15 Laplacian 0.1805149E-01 (-1/4)Del**2(Rho)) -0.4512873E-02 Diamond 0.1209068E-03 Metallicity 0.4900267E+00 Ellipticity -0.2425734E+00 Gb(Abramov) 0.3377153E-02 Vb(Abramov) -0.2241434E-02 Hb(Abramov) 0.1135720E-02 Ex_ueg -0.5690461E-03 Ec_ueg -0.1307927E-03 Delta_ex -0.6181846E-03 Delta_ec 0.9353846E-04 Delta_et -0.6897187E-03 Pxc 0.4350749E+01 Qxc -0.6608882E+01 3,+3 76 3 +3 -1.154127 -1.091548 1.148936 Rho 0.5178858E-02 |GRAD(Rho)| 0.9399436E-13 GRAD(Rho)x 0.7023849E-13 GRAD(Rho)y 0.6199323E-13 GRAD(Rho)z 0.7637678E-14 Laplacian 0.2007842E-01 (-1/4)Del**2(Rho)) -0.5019606E-02 Diamond 0.1470724E-03 Metallicity 0.5320351E+00 Ellipticity -0.2204308E+00 Gb(Abramov) 0.3791505E-02 Vb(Abramov) -0.2563404E-02 Hb(Abramov) 0.1228101E-02 Ex_ueg -0.6617548E-03 Ec_ueg -0.1546179E-03 Delta_ex -0.7004521E-03 Delta_ec 0.8835159E-04 Delta_et -0.7039267E-03 Pxc 0.4279936E+01 Qxc -0.7928008E+01 3,+3 77 3 -1 -3.039877 1.958714 0.899902 Rho 0.1499666E+00 |GRAD(Rho)| 0.4733313E-15 GRAD(Rho)x 0.1283899E-15 GRAD(Rho)y -0.4501065E-15 GRAD(Rho)z 0.7044604E-16 Laplacian 0.5817365E+00 (-1/4)Del**2(Rho)) -0.1454341E+00 Diamond 0.1171147E+01 Metallicity 0.5014310E+01 Ellipticity 0.6402325E-01 Gb(Abramov) 0.2184981E+00 Vb(Abramov) -0.2915620E+00 Hb(Abramov) -0.7306393E-01 Ex_ueg -0.5884522E-01 Ec_ueg -0.8441378E-02 Delta_ex -0.6239560E-01 Delta_ec 0.1462868E-01 Delta_et -0.1944259E+00 Pxc 0.6971045E+01 Qxc -0.4265292E+01 3,-1 78 3 +1 -0.639166 -1.656693 0.485837 Rho 0.9064063E-02 |GRAD(Rho)| 0.1857913E-16 GRAD(Rho)x -0.5301834E-17 GRAD(Rho)y 0.1247061E-16 GRAD(Rho)z -0.1271056E-16 Laplacian 0.3478816E-01 (-1/4)Del**2(Rho)) -0.8697040E-02 Diamond 0.1033822E-02 Metallicity 0.7805245E+00 Ellipticity -0.1530775E+01 Gb(Abramov) 0.6929402E-02 Vb(Abramov) -0.5161764E-02 Hb(Abramov) 0.1767638E-02 Ex_ueg -0.1395776E-02 Ec_ueg -0.3257911E-03 Delta_ex -0.1624748E-02 Delta_ec 0.5147952E-03 Delta_et -0.3546203E-02 Pxc 0.4284266E+01 Qxc -0.3156106E+01 3,+1 79 3 -1 0.237945 -1.125802 -1.931617 Rho 0.6428793E-02 |GRAD(Rho)| 0.2533283E-13 GRAD(Rho)x 0.6164855E-14 GRAD(Rho)y 0.2383526E-13 GRAD(Rho)z -0.5968848E-14 Laplacian 0.2539054E-01 (-1/4)Del**2(Rho)) -0.6347636E-02 Diamond 0.9838148E-03 Metallicity 0.6032401E+00 Ellipticity 0.2586248E+00 Gb(Abramov) 0.4869949E-02 Vb(Abramov) -0.3392262E-02 Hb(Abramov) 0.1477687E-02 Ex_ueg -0.8828582E-03 Ec_ueg -0.2089084E-03 Delta_ex -0.1428256E-02 Delta_ec 0.9814903E-03 Delta_et -0.5676207E-02 Pxc 0.4226053E+01 Qxc -0.1455191E+01 3,-1 80 3 -1 -2.768184 -0.560209 1.887860 Rho 0.1308806E+00 |GRAD(Rho)| 0.1690364E-15 GRAD(Rho)x 0.8619068E-16 GRAD(Rho)y 0.1247239E-15 GRAD(Rho)z 0.7475574E-16 Laplacian 0.5468472E+00 (-1/4)Del**2(Rho)) -0.1367118E+00 Diamond 0.9309690E+00 Metallicity 0.4251474E+01 Ellipticity 0.5101734E-02 Gb(Abramov) 0.1880123E+00 Vb(Abramov) -0.2393128E+00 Hb(Abramov) -0.5130052E-01 Ex_ueg -0.4907786E-01 Ec_ueg -0.7231079E-02 Delta_ex -0.5669098E-01 Delta_ec 0.1413482E-01 Delta_et -0.1839497E+00 Pxc 0.6787073E+01 Qxc -0.4010731E+01 3,-1 81 3 -1 -0.273305 -1.409436 -3.244280 Rho 0.4276660E-02 |GRAD(Rho)| 0.1917501E-17 GRAD(Rho)x -0.1615454E-17 GRAD(Rho)y 0.2464392E-18 GRAD(Rho)z 0.1003189E-17 Laplacian 0.1625629E-01 (-1/4)Del**2(Rho)) -0.4064072E-02 Diamond 0.4542527E-03 Metallicity 0.4776388E+00 Ellipticity 0.5796584E-01 Gb(Abramov) 0.3032908E-02 Vb(Abramov) -0.2001744E-02 Hb(Abramov) 0.1031164E-02 Ex_ueg -0.5126937E-03 Ec_ueg -0.1159186E-03 Delta_ex -0.9525866E-03 Delta_ec 0.8119569E-03 Delta_et -0.4084091E-02 Pxc 0.4422878E+01 Qxc -0.1173199E+01 3,-1 82 3 +3 -1.911527 -1.987821 -1.895170 Rho 0.1029859E-01 |GRAD(Rho)| 0.1043578E-16 GRAD(Rho)x 0.5370278E-17 GRAD(Rho)y 0.6822299E-17 GRAD(Rho)z -0.5789813E-17 Laplacian 0.4647584E-01 (-1/4)Del**2(Rho)) -0.1161896E-01 Diamond 0.8645305E-03 Metallicity 0.7227959E+00 Ellipticity -0.6041553E+00 Gb(Abramov) 0.9145663E-02 Vb(Abramov) -0.6672366E-02 Hb(Abramov) 0.2473297E-02 Ex_ueg -0.1654838E-02 Ec_ueg -0.3816070E-03 Delta_ex -0.1965882E-02 Delta_ec 0.1946756E-03 Delta_et -0.1743168E-02 Pxc 0.4336499E+01 Qxc -0.1009824E+02 3,+3 83 3 +1 -2.229005 -2.209282 -2.039886 Rho 0.1109022E-01 |GRAD(Rho)| 0.1591588E-16 GRAD(Rho)x -0.5318886E-17 GRAD(Rho)y -0.2378029E-17 GRAD(Rho)z 0.1481113E-16 Laplacian 0.4912016E-01 (-1/4)Del**2(Rho)) -0.1228004E-01 Diamond 0.1626558E-02 Metallicity 0.7737252E+00 Ellipticity -0.1277967E+01 Gb(Abramov) 0.9770255E-02 Vb(Abramov) -0.7260472E-02 Hb(Abramov) 0.2509784E-02 Ex_ueg -0.1826579E-02 Ec_ueg -0.4177347E-03 Delta_ex -0.2319958E-02 Delta_ec 0.5572875E-03 Delta_et -0.4162801E-02 Pxc 0.4372580E+01 Qxc -0.4162947E+01 3,+1 84 3 +1 -1.693556 0.568069 -0.473967 Rho 0.9746465E-02 |GRAD(Rho)| 0.2610624E-15 GRAD(Rho)x 0.1051175E-15 GRAD(Rho)y -0.2230289E-15 GRAD(Rho)z -0.8580185E-16 Laplacian 0.3780219E-01 (-1/4)Del**2(Rho)) -0.9450547E-02 Diamond 0.1200297E-02 Metallicity 0.8106650E+00 Ellipticity -0.1508516E+01 Gb(Abramov) 0.7577236E-02 Vb(Abramov) -0.5703925E-02 Hb(Abramov) 0.1873311E-02 Ex_ueg -0.1537616E-02 Ec_ueg -0.3565637E-03 Delta_ex -0.1782990E-02 Delta_ec 0.5321789E-03 Delta_et -0.3755665E-02 Pxc 0.4312318E+01 Qxc -0.3350358E+01 3,+1 85 3 +3 0.048450 -0.054165 2.319170 Rho 0.4508605E-02 |GRAD(Rho)| 0.4457388E-15 GRAD(Rho)x -0.3105326E-15 GRAD(Rho)y -0.2935614E-15 GRAD(Rho)z 0.1267845E-15 Laplacian 0.1845842E-01 (-1/4)Del**2(Rho)) -0.4614604E-02 Diamond 0.1563559E-03 Metallicity 0.4593627E+00 Ellipticity -0.3441528E+00 Gb(Abramov) 0.3429699E-02 Vb(Abramov) -0.2244794E-02 Hb(Abramov) 0.1184905E-02 Ex_ueg -0.5500996E-03 Ec_ueg -0.1258277E-03 Delta_ex -0.6671327E-03 Delta_ec 0.1659399E-03 Delta_et -0.1043196E-02 Pxc 0.4371846E+01 Qxc -0.4020328E+01 3,+3 86 3 +1 -1.753607 1.686485 -1.763482 Rho 0.1179836E-01 |GRAD(Rho)| 0.1500829E-14 GRAD(Rho)x 0.1429663E-15 GRAD(Rho)y 0.1173340E-14 GRAD(Rho)z 0.9248363E-15 Laplacian 0.5801537E-01 (-1/4)Del**2(Rho)) -0.1450384E-01 Diamond 0.2267204E-02 Metallicity 0.7262832E+00 Ellipticity -0.1269973E+01 Gb(Abramov) 0.1142488E-01 Vb(Abramov) -0.8345914E-02 Hb(Abramov) 0.3078965E-02 Ex_ueg -0.1983720E-02 Ec_ueg -0.4502685E-03 Delta_ex -0.2837793E-02 Delta_ec 0.7508831E-03 Delta_et -0.5608736E-02 Pxc 0.4405639E+01 Qxc -0.3779275E+01 3,+1 87 3 -1 -2.810746 1.756510 -0.514534 Rho 0.1323135E+00 |GRAD(Rho)| 0.4725484E-14 GRAD(Rho)x 0.1871435E-15 GRAD(Rho)y 0.3496023E-14 GRAD(Rho)z 0.3173799E-14 Laplacian 0.5579037E+00 (-1/4)Del**2(Rho)) -0.1394759E+00 Diamond 0.9584295E+00 Metallicity 0.4243532E+01 Ellipticity 0.1527972E-01 Gb(Abramov) 0.1916290E+00 Vb(Abramov) -0.2437821E+00 Hb(Abramov) -0.5215311E-01 Ex_ueg -0.4979555E-01 Ec_ueg -0.7321127E-02 Delta_ex -0.5794439E-01 Delta_ec 0.1430144E-01 Delta_et -0.1862789E+00 Pxc 0.6801623E+01 Qxc -0.4051649E+01 3,-1 88 3 -1 -1.855905 -1.697215 -0.552628 Rho 0.4463114E-01 |GRAD(Rho)| 0.5028980E-14 GRAD(Rho)x -0.3433050E-14 GRAD(Rho)y -0.3261371E-14 GRAD(Rho)z 0.1693597E-14 Laplacian 0.1836033E+00 (-1/4)Del**2(Rho)) -0.4590082E-01 Diamond 0.8119028E-01 Metallicity 0.2107638E+01 Ellipticity 0.1964755E-01 Gb(Abramov) 0.4672427E-01 Vb(Abramov) -0.4754771E-01 Hb(Abramov) -0.8234435E-03 Ex_ueg -0.1169236E-01 Ec_ueg -0.2120326E-02 Delta_ex -0.1476042E-01 Delta_ec 0.5603665E-02 Delta_et -0.5737259E-01 Pxc 0.5514419E+01 Qxc -0.2634065E+01 3,-1 89 3 -1 -1.646476 -2.756031 -2.374056 Rho 0.2588590E-01 |GRAD(Rho)| 0.2495035E-16 GRAD(Rho)x 0.2180499E-17 GRAD(Rho)y 0.1302660E-16 GRAD(Rho)z -0.2116774E-16 Laplacian 0.8077972E-01 (-1/4)Del**2(Rho)) -0.2019493E-01 Diamond 0.2474216E-01 Metallicity 0.1932337E+01 Ellipticity 0.3482425E-01 Gb(Abramov) 0.1996719E-01 Vb(Abramov) -0.1973945E-01 Hb(Abramov) 0.2277414E-03 Ex_ueg -0.5655479E-02 Ec_ueg -0.1133420E-02 Delta_ex -0.6487116E-02 Delta_ec 0.3899013E-02 Delta_et -0.3418787E-01 Pxc 0.4989745E+01 Qxc -0.1663784E+01 3,-1 90 3 +1 0.043816 -2.955964 0.038339 Rho 0.4945850E-02 |GRAD(Rho)| 0.9133443E-17 GRAD(Rho)x -0.1130208E-17 GRAD(Rho)y 0.4460684E-17 GRAD(Rho)z 0.7889531E-17 Laplacian 0.1928078E-01 (-1/4)Del**2(Rho)) -0.4820195E-02 Diamond 0.4438462E-03 Metallicity 0.5131253E+00 Ellipticity -0.3660907E+01 Gb(Abramov) 0.3625691E-02 Vb(Abramov) -0.2431186E-02 Hb(Abramov) 0.1194504E-02 Ex_ueg -0.6223570E-03 Ec_ueg -0.1445832E-03 Delta_ex -0.9573181E-03 Delta_ec 0.6083995E-03 Delta_et -0.3292821E-02 Pxc 0.4304490E+01 Qxc -0.1573502E+01 3,+1 91 3 -1 -2.201125 -0.915241 -3.061057 Rho 0.1499426E+00 |GRAD(Rho)| 0.2875786E-13 GRAD(Rho)x 0.1489140E-13 GRAD(Rho)y 0.2448511E-13 GRAD(Rho)z -0.2395870E-14 Laplacian 0.5671877E+00 (-1/4)Del**2(Rho)) -0.1417969E+00 Diamond 0.1175632E+01 Metallicity 0.5141556E+01 Ellipticity 0.1252815E+00 Gb(Abramov) 0.2160407E+00 Vb(Abramov) -0.2902846E+00 Hb(Abramov) -0.7424383E-01 Ex_ueg -0.5883263E-01 Ec_ueg -0.8439837E-02 Delta_ex -0.6117152E-01 Delta_ec 0.1486830E-01 Delta_et -0.1990134E+00 Pxc 0.6970826E+01 Qxc -0.4114224E+01 3,-1 92 3 +1 0.376368 -1.768906 -0.738624 Rho 0.7071220E-02 |GRAD(Rho)| 0.1521425E-16 GRAD(Rho)x -0.2748050E-17 GRAD(Rho)y 0.1182206E-16 GRAD(Rho)z 0.9173918E-17 Laplacian 0.2698370E-01 (-1/4)Del**2(Rho)) -0.6745926E-02 Diamond 0.7436950E-03 Metallicity 0.6652765E+00 Ellipticity -0.1922505E+01 Gb(Abramov) 0.5245268E-02 Vb(Abramov) -0.3744611E-02 Hb(Abramov) 0.1500658E-02 Ex_ueg -0.1002407E-02 Ec_ueg -0.2371066E-03 Delta_ex -0.1285057E-02 Delta_ec 0.5786027E-03 Delta_et -0.3589309E-02 Pxc 0.4227665E+01 Qxc -0.2220966E+01 3,+1 93 3 -1 -1.785061 -0.569220 2.842329 Rho 0.1485737E+00 |GRAD(Rho)| 0.3420191E-11 GRAD(Rho)x -0.2495228E-11 GRAD(Rho)y 0.2250859E-11 GRAD(Rho)z -0.6365354E-12 Laplacian 0.6230637E+00 (-1/4)Del**2(Rho)) -0.1557659E+00 Diamond 0.1227183E+01 Metallicity 0.4609468E+01 Ellipticity 0.2903262E-01 Gb(Abramov) 0.2235103E+00 Vb(Abramov) -0.2912546E+00 Hb(Abramov) -0.6774436E-01 Ex_ueg -0.5811761E-01 Ec_ueg -0.8352275E-02 Delta_ex -0.6654194E-01 Delta_ec 0.1546692E-01 Delta_et -0.2047576E+00 Pxc 0.6958297E+01 Qxc -0.4302212E+01 3,-1 94 3 +1 -0.527300 0.548093 -1.683382 Rho 0.9219857E-02 |GRAD(Rho)| 0.4668655E-13 GRAD(Rho)x 0.1373540E-13 GRAD(Rho)y 0.4148970E-13 GRAD(Rho)z -0.1641882E-13 Laplacian 0.3570414E-01 (-1/4)Del**2(Rho)) -0.8926034E-02 Diamond 0.1077428E-02 Metallicity 0.7824109E+00 Ellipticity -0.1516414E+01 Gb(Abramov) 0.7114661E-02 Vb(Abramov) -0.5303287E-02 Hb(Abramov) 0.1811374E-02 Ex_ueg -0.1427854E-02 Ec_ueg -0.3327988E-03 Delta_ex -0.1671203E-02 Delta_ec 0.5220805E-03 Delta_et -0.3617060E-02 Pxc 0.4290443E+01 Qxc -0.3201044E+01 3,+1 95 3 +1 0.175267 2.899419 -0.232071 Rho 0.5548255E-02 |GRAD(Rho)| 0.6982540E-14 GRAD(Rho)x 0.5109720E-14 GRAD(Rho)y 0.2394009E-15 GRAD(Rho)z -0.4752821E-14 Laplacian 0.2301914E-01 (-1/4)Del**2(Rho)) -0.5754785E-02 Diamond 0.5822629E-03 Metallicity 0.5205368E+00 Ellipticity -0.2485487E+01 Gb(Abramov) 0.4335786E-02 Vb(Abramov) -0.2916788E-02 Hb(Abramov) 0.1418999E-02 Ex_ueg -0.7254269E-03 Ec_ueg -0.1705822E-03 Delta_ex -0.1139460E-02 Delta_ec 0.6741149E-03 Delta_et -0.3797332E-02 Pxc 0.4252652E+01 Qxc -0.1690305E+01 3,+1 96 3 -1 -1.759291 1.696157 0.567147 Rho 0.4408347E-01 |GRAD(Rho)| 0.2814178E-15 GRAD(Rho)x -0.2151457E-15 GRAD(Rho)y 0.1564406E-15 GRAD(Rho)z -0.9184029E-16 Laplacian 0.1832687E+00 (-1/4)Del**2(Rho)) -0.4581718E-01 Diamond 0.7955650E-01 Metallicity 0.2068479E+01 Ellipticity 0.1489265E-01 Gb(Abramov) 0.4634010E-01 Vb(Abramov) -0.4686302E-01 Hb(Abramov) -0.5229186E-03 Ex_ueg -0.1150145E-01 Ec_ueg -0.2090539E-02 Delta_ex -0.1468141E-01 Delta_ec 0.5581436E-02 Delta_et -0.5695439E-01 Pxc 0.5501669E+01 Qxc -0.2630400E+01 3,-1 97 3 -1 -1.979459 0.870769 3.025858 Rho 0.1356592E+00 |GRAD(Rho)| 0.6982637E-16 GRAD(Rho)x 0.2625802E-16 GRAD(Rho)y -0.6404924E-16 GRAD(Rho)z -0.9161508E-17 Laplacian 0.5312897E+00 (-1/4)Del**2(Rho)) -0.1328224E+00 Diamond 0.9462782E+00 Metallicity 0.4645478E+01 Ellipticity 0.5476478E-01 Gb(Abramov) 0.1913855E+00 Vb(Abramov) -0.2499487E+00 Hb(Abramov) -0.5856312E-01 Ex_ueg -0.5148143E-01 Ec_ueg -0.7531914E-02 Delta_ex -0.5558203E-01 Delta_ec 0.1365417E-01 Delta_et -0.1787678E+00 Pxc 0.6835105E+01 Qxc -0.4070699E+01 3,-1 98 3 +3 -1.128242 1.115500 -1.135108 Rho 0.5474445E-02 |GRAD(Rho)| 0.4279476E-16 GRAD(Rho)x 0.1806836E-16 GRAD(Rho)y 0.2980096E-16 GRAD(Rho)z -0.2483604E-16 Laplacian 0.2117055E-01 (-1/4)Del**2(Rho)) -0.5292637E-02 Diamond 0.1651209E-03 Metallicity 0.5534961E+00 Ellipticity -0.2485760E+00 Gb(Abramov) 0.4016667E-02 Vb(Abramov) -0.2740697E-02 Hb(Abramov) 0.1275970E-02 Ex_ueg -0.7125880E-03 Ec_ueg -0.1673869E-03 Delta_ex -0.7482447E-03 Delta_ec 0.8989722E-04 Delta_et -0.7322802E-03 Pxc 0.4257131E+01 Qxc -0.8323336E+01 3,+3 99 3 +3 -0.010316 2.278292 -0.030993 Rho 0.4692555E-02 |GRAD(Rho)| 0.4054654E-16 GRAD(Rho)x 0.2595007E-16 GRAD(Rho)y 0.2708849E-16 GRAD(Rho)z -0.1538928E-16 Laplacian 0.1913906E-01 (-1/4)Del**2(Rho)) -0.4784764E-02 Diamond 0.1682222E-03 Metallicity 0.4735599E+00 Ellipticity -0.3337303E+00 Gb(Abramov) 0.3567488E-02 Vb(Abramov) -0.2350212E-02 Hb(Abramov) 0.1217276E-02 Ex_ueg -0.5802265E-03 Ec_ueg -0.1337063E-03 Delta_ex -0.6958890E-03 Delta_ec 0.1667442E-03 Delta_et -0.1065847E-02 Pxc 0.4339561E+01 Qxc -0.4173393E+01 3,+3 100 3 +1 -0.565230 1.618788 -0.550680 Rho 0.8819783E-02 |GRAD(Rho)| 0.1056176E-10 GRAD(Rho)x -0.9407553E-11 GRAD(Rho)y 0.3718618E-11 GRAD(Rho)z 0.3036540E-11 Laplacian 0.3368183E-01 (-1/4)Del**2(Rho)) -0.8420459E-02 Diamond 0.9518697E-03 Metallicity 0.7702776E+00 Ellipticity -0.1505180E+01 Gb(Abramov) 0.6694654E-02 Vb(Abramov) -0.4968850E-02 Hb(Abramov) 0.1725804E-02 Ex_ueg -0.1345847E-02 Ec_ueg -0.3148245E-03 Delta_ex -0.1556848E-02 Delta_ec 0.4887029E-03 Delta_et -0.3350104E-02 Pxc 0.4274911E+01 Qxc -0.3185675E+01 3,+1 101 3 +1 -0.230604 2.903138 0.155736 Rho 0.5504439E-02 |GRAD(Rho)| 0.5329211E-17 GRAD(Rho)x -0.4863376E-17 GRAD(Rho)y -0.3264781E-18 GRAD(Rho)z 0.2154408E-17 Laplacian 0.2288827E-01 (-1/4)Del**2(Rho)) -0.5722067E-02 Diamond 0.5473280E-03 Metallicity 0.5166408E+00 Ellipticity -0.2106405E+01 Gb(Abramov) 0.4307420E-02 Vb(Abramov) -0.2892773E-02 Hb(Abramov) 0.1414647E-02 Ex_ueg -0.7177984E-03 Ec_ueg -0.1686851E-03 Delta_ex -0.1110366E-02 Delta_ec 0.6331219E-03 Delta_et -0.3573981E-02 Pxc 0.4255258E+01 Qxc -0.1753795E+01 3,+1 102 3 +1 -1.540570 -2.034560 -1.936736 Rho 0.1083084E-01 |GRAD(Rho)| 0.1752928E-16 GRAD(Rho)x 0.9534722E-18 GRAD(Rho)y 0.1326516E-16 GRAD(Rho)z -0.1141938E-16 Laplacian 0.4797727E-01 (-1/4)Del**2(Rho)) -0.1199432E-01 Diamond 0.1566630E-02 Metallicity 0.7615198E+00 Ellipticity -0.1280972E+01 Gb(Abramov) 0.9518530E-02 Vb(Abramov) -0.7042743E-02 Hb(Abramov) 0.2475787E-02 Ex_ueg -0.1769842E-02 Ec_ueg -0.4058691E-03 Delta_ex -0.2261215E-02 Delta_ec 0.5612948E-03 Delta_et -0.4153722E-02 Pxc 0.4360624E+01 Qxc -0.4028570E+01 3,+1 103 3 -1 -0.851592 2.986882 1.945135 Rho 0.1293404E+00 |GRAD(Rho)| 0.2725910E-15 GRAD(Rho)x -0.1563284E-15 GRAD(Rho)y 0.1325166E-15 GRAD(Rho)z -0.1797404E-15 Laplacian 0.5081823E+00 (-1/4)Del**2(Rho)) -0.1270456E+00 Diamond 0.8670977E+00 Metallicity 0.4485564E+01 Ellipticity 0.2641048E-01 Gb(Abramov) 0.1796756E+00 Vb(Abramov) -0.2323055E+00 Hb(Abramov) -0.5262998E-01 Ex_ueg -0.4830927E-01 Ec_ueg -0.7134429E-02 Delta_ex -0.5270402E-01 Delta_ec 0.1347999E-01 Delta_et -0.1756740E+00 Pxc 0.6771288E+01 Qxc -0.3909796E+01 3,-1 104 3 +1 2.158167 -1.323209 1.139959 Rho 0.2613864E-01 |GRAD(Rho)| 0.6470867E-14 GRAD(Rho)x 0.3453649E-14 GRAD(Rho)y -0.4686901E-14 GRAD(Rho)z -0.2824425E-14 Laplacian 0.1049385E+00 (-1/4)Del**2(Rho)) -0.2623462E-01 Diamond 0.1593073E-01 Metallicity 0.1511762E+01 Ellipticity -0.6930618E+01 Gb(Abramov) 0.2409983E-01 Vb(Abramov) -0.2196504E-01 Hb(Abramov) 0.2134791E-02 Ex_ueg -0.5729222E-02 Ec_ueg -0.1146212E-02 Delta_ex -0.6741751E-02 Delta_ec 0.2025200E-02 Delta_et -0.1802310E-01 Pxc 0.4998396E+01 Qxc -0.3328930E+01 3,+1 105 3 +1 -0.131273 0.140530 2.915694 Rho 0.5349328E-02 |GRAD(Rho)| 0.8868806E-17 GRAD(Rho)x -0.2508679E-18 GRAD(Rho)y -0.8605238E-17 GRAD(Rho)z 0.2131354E-17 Laplacian 0.2189281E-01 (-1/4)Del**2(Rho)) -0.5473203E-02 Diamond 0.5893794E-03 Metallicity 0.5150036E+00 Ellipticity -0.7317800E+01 Gb(Abramov) 0.4118589E-02 Vb(Abramov) -0.2763974E-02 Hb(Abramov) 0.1354614E-02 Ex_ueg -0.6909564E-03 Ec_ueg -0.1619766E-03 Delta_ex -0.1128557E-02 Delta_ec 0.7353090E-03 Delta_et -0.4056686E-02 Pxc 0.4265778E+01 Qxc -0.1534806E+01 3,+1 106 3 -1 -0.593001 -2.780669 1.787079 Rho 0.1668951E+00 |GRAD(Rho)| 0.2521295E-15 GRAD(Rho)x 0.5702903E-16 GRAD(Rho)y -0.5750337E-16 GRAD(Rho)z 0.2387684E-15 Laplacian 0.6993527E+00 (-1/4)Del**2(Rho)) -0.1748382E+00 Diamond 0.1594415E+01 Metallicity 0.4984897E+01 Ellipticity 0.2679364E-01 Gb(Abramov) 0.2618172E+00 Vb(Abramov) -0.3487961E+00 Hb(Abramov) -0.8697898E-01 Ex_ueg -0.6786458E-01 Ec_ueg -0.9533675E-02 Delta_ex -0.7697083E-01 Delta_ec 0.1701570E-01 Delta_et -0.2289786E+00 Pxc 0.7118407E+01 Qxc -0.4523519E+01 3,-1 107 3 -1 0.505227 -1.774720 1.676226 Rho 0.5067090E-01 |GRAD(Rho)| 0.6388339E-16 GRAD(Rho)x 0.4535501E-16 GRAD(Rho)y 0.4472588E-16 GRAD(Rho)z -0.4858581E-17 Laplacian 0.2040764E+00 (-1/4)Del**2(Rho)) -0.5101910E-01 Diamond 0.1042898E+00 Metallicity 0.2342887E+01 Ellipticity 0.1669246E-01 Gb(Abramov) 0.5393474E-01 Vb(Abramov) -0.5685037E-01 Hb(Abramov) -0.2915635E-02 Ex_ueg -0.1384830E-01 Ec_ueg -0.2451992E-02 Delta_ex -0.1680992E-01 Delta_ec 0.6000403E-02 Delta_et -0.6346983E-01 Pxc 0.5647776E+01 Qxc -0.2801464E+01 3,-1 108 3 +3 -0.109765 -2.372086 -0.163756 Rho 0.4125053E-02 |GRAD(Rho)| 0.3273255E-15 GRAD(Rho)x 0.2124598E-15 GRAD(Rho)y 0.2255559E-15 GRAD(Rho)z 0.1054861E-15 Laplacian 0.1649859E-01 (-1/4)Del**2(Rho)) -0.4124647E-02 Diamond 0.1177760E-03 Metallicity 0.4431481E+00 Ellipticity -0.3908348E+00 Gb(Abramov) 0.3054403E-02 Vb(Abramov) -0.1984159E-02 Hb(Abramov) 0.1070244E-02 Ex_ueg -0.4886048E-03 Ec_ueg -0.1094568E-03 Delta_ex -0.5756096E-03 Delta_ec 0.1352533E-03 Delta_et -0.8511877E-03 Pxc 0.4463907E+01 Qxc -0.4255791E+01 3,+3 109 3 -1 1.682927 -1.763383 0.459246 Rho 0.4851652E-01 |GRAD(Rho)| 0.1009772E-15 GRAD(Rho)x -0.7906290E-16 GRAD(Rho)y 0.5383403E-16 GRAD(Rho)z 0.3236280E-16 Laplacian 0.1926423E+00 (-1/4)Del**2(Rho)) -0.4816056E-01 Diamond 0.9323165E-01 Metallicity 0.2308577E+01 Ellipticity 0.1199010E-01 Gb(Abramov) 0.5063744E-01 Vb(Abramov) -0.5311431E-01 Hb(Abramov) -0.2476875E-02 Ex_ueg -0.1306887E-01 Ec_ueg -0.2333038E-02 Delta_ex -0.1571448E-01 Delta_ec 0.5700713E-02 Delta_et -0.5963038E-01 Pxc 0.5601651E+01 Qxc -0.2756582E+01 3,-1 110 3 +1 -0.337277 -1.271252 -2.701040 Rho 0.3684992E-02 |GRAD(Rho)| 0.1030171E-15 GRAD(Rho)x -0.8957283E-16 GRAD(Rho)y -0.4737096E-16 GRAD(Rho)z -0.1857999E-16 Laplacian 0.1452274E-01 (-1/4)Del**2(Rho)) -0.3630685E-02 Diamond 0.1649118E-03 Metallicity 0.4171500E+00 Ellipticity -0.1382564E+01 Gb(Abramov) 0.2672880E-02 Vb(Abramov) -0.1715075E-02 Hb(Abramov) 0.9578049E-03 Ex_ueg -0.4203721E-03 Ec_ueg -0.9076914E-04 Delta_ex -0.5981819E-03 Delta_ec 0.3081845E-03 Delta_et -0.1588342E-02 Pxc 0.4631222E+01 Qxc -0.1940987E+01 3,+1 111 3 -1 -0.848720 2.017090 2.969301 Rho 0.1348243E+00 |GRAD(Rho)| 0.4585976E-12 GRAD(Rho)x -0.1995207E-12 GRAD(Rho)y 0.3837744E-12 GRAD(Rho)z -0.1523825E-12 Laplacian 0.5307502E+00 (-1/4)Del**2(Rho)) -0.1326875E+00 Diamond 0.9531107E+00 Metallicity 0.4602602E+01 Ellipticity 0.3226852E-01 Gb(Abramov) 0.1902430E+00 Vb(Abramov) -0.2477985E+00 Hb(Abramov) -0.5755548E-01 Ex_ueg -0.5105944E-01 Ec_ueg -0.7479249E-02 Delta_ex -0.5561207E-01 Delta_ec 0.1396375E-01 Delta_et -0.1832516E+00 Pxc 0.6826814E+01 Qxc -0.3982602E+01 3,-1 112 3 -1 -0.562208 2.753567 -1.794731 Rho 0.1521084E+00 |GRAD(Rho)| 0.6548413E-13 GRAD(Rho)x -0.8347191E-14 GRAD(Rho)y -0.3089562E-13 GRAD(Rho)z 0.5713104E-13 Laplacian 0.6350328E+00 (-1/4)Del**2(Rho)) -0.1587582E+00 Diamond 0.1279315E+01 Metallicity 0.4703333E+01 Ellipticity 0.3051257E-01 Gb(Abramov) 0.2302876E+00 Vb(Abramov) -0.3018170E+00 Hb(Abramov) -0.7152939E-01 Ex_ueg -0.5996844E-01 Ec_ueg -0.8578620E-02 Delta_ex -0.6814432E-01 Delta_ec 0.1554425E-01 Delta_et -0.2061179E+00 Pxc 0.6990453E+01 Qxc -0.4383893E+01 3,-1 113 3 -1 0.544688 1.719350 -1.705189 Rho 0.4619398E-01 |GRAD(Rho)| 0.1523580E-12 GRAD(Rho)x -0.4738742E-13 GRAD(Rho)y 0.1110487E-12 GRAD(Rho)z -0.9292774E-13 Laplacian 0.1909275E+00 (-1/4)Del**2(Rho)) -0.4773188E-01 Diamond 0.8870787E-01 Metallicity 0.2146448E+01 Ellipticity 0.6454790E-02 Gb(Abramov) 0.4889691E-01 Vb(Abramov) -0.5006195E-01 Hb(Abramov) -0.1165036E-02 Ex_ueg -0.1224143E-01 Ec_ueg -0.2205597E-02 Delta_ex -0.1549253E-01 Delta_ec 0.5845963E-02 Delta_et -0.6040931E-01 Pxc 0.5550168E+01 Qxc -0.2650125E+01 3,-1 114 3 -1 -0.006263 2.903767 -0.060717 Rho 0.5601257E-02 |GRAD(Rho)| 0.1060969E-14 GRAD(Rho)x 0.1848036E-15 GRAD(Rho)y -0.8683408E-15 GRAD(Rho)z -0.5809370E-15 Laplacian 0.2242388E-01 (-1/4)Del**2(Rho)) -0.5605969E-02 Diamond 0.7162086E-03 Metallicity 0.5428898E+00 Ellipticity 0.2029179E+01 Gb(Abramov) 0.4244550E-02 Vb(Abramov) -0.2883131E-02 Hb(Abramov) 0.1361419E-02 Ex_ueg -0.7346815E-03 Ec_ueg -0.1728784E-03 Delta_ex -0.1225206E-02 Delta_ec 0.8585927E-03 Delta_et -0.4763665E-02 Pxc 0.4249700E+01 Qxc -0.1426993E+01 3,-1 115 3 -1 -0.558771 -0.492282 -0.521277 Rho 0.1914176E+00 |GRAD(Rho)| 0.8960313E-16 GRAD(Rho)x -0.7285839E-16 GRAD(Rho)y -0.3469447E-17 GRAD(Rho)z -0.5204170E-16 Laplacian 0.5257389E+00 (-1/4)Del**2(Rho)) -0.1314347E+00 Diamond 0.1434497E+01 Metallicity 0.8333216E+01 Ellipticity 0.2047657E-01 Gb(Abramov) 0.2701688E+00 Vb(Abramov) -0.4089029E+00 Hb(Abramov) -0.1387341E+00 Ex_ueg -0.8147557E-01 Ec_ueg -0.1114574E-01 Delta_ex -0.6005181E-01 Delta_ec 0.1261023E-01 Delta_et -0.1729831E+00 Pxc 0.7310019E+01 Qxc -0.4762149E+01 3,-1 116 3 +1 0.159065 -0.143652 2.947617 Rho 0.5282701E-02 |GRAD(Rho)| 0.9006836E-15 GRAD(Rho)x 0.6417442E-15 GRAD(Rho)y -0.6226281E-15 GRAD(Rho)z 0.1083033E-15 Laplacian 0.2176304E-01 (-1/4)Del**2(Rho)) -0.5440760E-02 Diamond 0.5213500E-03 Metallicity 0.5073649E+00 Ellipticity -0.2461528E+01 Gb(Abramov) 0.4087248E-02 Vb(Abramov) -0.2733737E-02 Hb(Abramov) 0.1353512E-02 Ex_ueg -0.6795058E-03 Ec_ueg -0.1590988E-03 Delta_ex -0.1071953E-02 Delta_ec 0.6466038E-03 Delta_et -0.3585596E-02 Pxc 0.4270967E+01 Qxc -0.1657820E+01 3,+1 117 3 +1 1.686764 0.493097 0.568726 Rho 0.7224719E-02 |GRAD(Rho)| 0.7066882E-17 GRAD(Rho)x -0.2267529E-17 GRAD(Rho)y 0.3675746E-17 GRAD(Rho)z -0.5593570E-17 Laplacian 0.2808025E-01 (-1/4)Del**2(Rho)) -0.7020063E-02 Diamond 0.6171080E-03 Metallicity 0.6625935E+00 Ellipticity -0.1423352E+01 Gb(Abramov) 0.5455283E-02 Vb(Abramov) -0.3890503E-02 Hb(Abramov) 0.1564780E-02 Ex_ueg -0.1031525E-02 Ec_ueg -0.2438730E-03 Delta_ex -0.1241720E-02 Delta_ec 0.4198220E-03 Delta_et -0.2722029E-02 Pxc 0.4229762E+01 Qxc -0.2957729E+01 3,+1 118 3 -1 0.008244 -3.282427 -1.210478 Rho 0.2726209E-01 |GRAD(Rho)| 0.6657260E-14 GRAD(Rho)x 0.6446391E-14 GRAD(Rho)y -0.6009450E-15 GRAD(Rho)z -0.1549843E-14 Laplacian 0.8842221E-01 (-1/4)Del**2(Rho)) -0.2210555E-01 Diamond 0.3071708E-01 Metallicity 0.1924496E+01 Ellipticity 0.3952899E-02 Gb(Abramov) 0.2182738E-01 Vb(Abramov) -0.2154920E-01 Hb(Abramov) 0.2781767E-03 Ex_ueg -0.6059878E-02 Ec_ueg -0.1203268E-02 Delta_ex -0.7339871E-02 Delta_ec 0.4556025E-02 Delta_et -0.4055916E-01 Pxc 0.5036185E+01 Qxc -0.1611025E+01 3,-1 119 3 -1 0.813172 -2.000242 2.984472 Rho 0.1242584E+00 |GRAD(Rho)| 0.3462003E-15 GRAD(Rho)x 0.2242401E-15 GRAD(Rho)y 0.2628648E-15 GRAD(Rho)z 0.2175181E-16 Laplacian 0.4887801E+00 (-1/4)Del**2(Rho)) -0.1221950E+00 Diamond 0.7940169E+00 Metallicity 0.4362239E+01 Ellipticity 0.1997843E-01 Gb(Abramov) 0.1703040E+00 Vb(Abramov) -0.2184130E+00 Hb(Abramov) -0.4810898E-01 Ex_ueg -0.4579516E-01 Ec_ueg -0.6816673E-02 Delta_ex -0.5019722E-01 Delta_ec 0.1307154E-01 Delta_et -0.1691792E+00 Pxc 0.6718110E+01 Qxc -0.3840192E+01 3,-1 120 3 -1 -0.074967 -3.243166 3.147925 Rho 0.2471050E+00 |GRAD(Rho)| 0.6829644E-14 GRAD(Rho)x -0.3236316E-14 GRAD(Rho)y 0.1558541E-14 GRAD(Rho)z -0.5808722E-14 Laplacian 0.9099095E+00 (-1/4)Del**2(Rho)) -0.2274774E+00 Diamond 0.3315552E+01 Metallicity 0.7369154E+01 Ellipticity 0.4354724E-02 Gb(Abramov) 0.4310375E+00 Vb(Abramov) -0.6345977E+00 Hb(Abramov) -0.2035602E+00 Ex_ueg -0.1145233E+00 Ec_ueg -0.1493165E-01 Delta_ex -0.1106879E+00 Delta_ec 0.1976575E-01 Delta_et -0.2732945E+00 Pxc 0.7669838E+01 Qxc -0.5599986E+01 3,-1 121 3 +1 0.519347 1.667698 0.479469 Rho 0.8330755E-02 |GRAD(Rho)| 0.2003259E-17 GRAD(Rho)x -0.2646052E-18 GRAD(Rho)y -0.5463528E-18 GRAD(Rho)z 0.1909065E-17 Laplacian 0.3275682E-01 (-1/4)Del**2(Rho)) -0.8189206E-02 Diamond 0.8318707E-03 Metallicity 0.7201980E+00 Ellipticity -0.1415255E+01 Gb(Abramov) 0.6442446E-02 Vb(Abramov) -0.4695685E-02 Hb(Abramov) 0.1746760E-02 Ex_ueg -0.1247281E-02 Ec_ueg -0.2929495E-03 Delta_ex -0.1480920E-02 Delta_ec 0.4545944E-03 Delta_et -0.3087004E-02 Pxc 0.4257665E+01 Qxc -0.3257674E+01 3,+1 122 3 +1 1.668649 -0.546042 -0.526026 Rho 0.8840328E-02 |GRAD(Rho)| 0.1280384E-10 GRAD(Rho)x 0.6908065E-11 GRAD(Rho)y 0.2419569E-11 GRAD(Rho)z -0.1050536E-10 Laplacian 0.3500303E-01 (-1/4)Del**2(Rho)) -0.8750758E-02 Diamond 0.9398865E-03 Metallicity 0.7440832E+00 Ellipticity -0.1403166E+01 Gb(Abramov) 0.6919054E-02 Vb(Abramov) -0.5087350E-02 Hb(Abramov) 0.1831704E-02 Ex_ueg -0.1350028E-02 Ec_ueg -0.3157459E-03 Delta_ex -0.1596082E-02 Delta_ec 0.4671906E-03 Delta_et -0.3236341E-02 Pxc 0.4275681E+01 Qxc -0.3416339E+01 3,+1 123 3 -1 -0.514265 1.716552 1.711282 Rho 0.5063641E-01 |GRAD(Rho)| 0.1820227E-15 GRAD(Rho)x -0.7505474E-16 GRAD(Rho)y -0.8212154E-16 GRAD(Rho)z -0.1440663E-15 Laplacian 0.2041111E+00 (-1/4)Del**2(Rho)) -0.5102777E-01 Diamond 0.1045150E+00 Metallicity 0.2339833E+01 Ellipticity 0.1492478E-01 Gb(Abramov) 0.5391792E-01 Vb(Abramov) -0.5680807E-01 Hb(Abramov) -0.2890150E-02 Ex_ueg -0.1383574E-01 Ec_ueg -0.2450083E-02 Delta_ex -0.1682276E-01 Delta_ec 0.6024451E-02 Delta_et -0.6371982E-01 Pxc 0.5647049E+01 Qxc -0.2792414E+01 3,-1 124 3 -1 1.806780 0.531006 2.789219 Rho 0.1088314E+00 |GRAD(Rho)| 0.3102188E-12 GRAD(Rho)x 0.2287394E-12 GRAD(Rho)y -0.2081016E-12 GRAD(Rho)z -0.2465286E-13 Laplacian 0.4569797E+00 (-1/4)Del**2(Rho)) -0.1142449E+00 Diamond 0.6248677E+00 Metallicity 0.3740874E+01 Ellipticity 0.1199499E-01 Gb(Abramov) 0.1473926E+00 Vb(Abramov) -0.1805402E+00 Hb(Abramov) -0.3314766E-01 Ex_ueg -0.3837577E-01 Ec_ueg -0.5863061E-02 Delta_ex -0.4535606E-01 Delta_ec 0.1238061E-01 Delta_et -0.1561534E+00 Pxc 0.6545348E+01 Qxc -0.3663475E+01 3,-1 125 3 -1 -0.536157 1.785996 -2.761787 Rho 0.9991669E-01 |GRAD(Rho)| 0.1251568E-15 GRAD(Rho)x 0.1076105E-15 GRAD(Rho)y -0.4538741E-16 GRAD(Rho)z -0.4499100E-16 Laplacian 0.4162374E+00 (-1/4)Del**2(Rho)) -0.1040593E+00 Diamond 0.5133473E+00 Metallicity 0.3561794E+01 Ellipticity 0.9082997E-02 Gb(Abramov) 0.1311459E+00 Vb(Abramov) -0.1582324E+00 Hb(Abramov) -0.2708655E-01 Ex_ueg -0.3424279E-01 Ec_ueg -0.5320006E-02 Delta_ex -0.4049023E-01 Delta_ec 0.1149222E-01 Delta_et -0.1425907E+00 Pxc 0.6436607E+01 Qxc -0.3523274E+01 3,-1 126 3 -1 0.120097 -1.987029 -1.047005 Rho 0.7515142E-02 |GRAD(Rho)| 0.8808882E-17 GRAD(Rho)x 0.7563238E-17 GRAD(Rho)y -0.4426278E-17 GRAD(Rho)z -0.8954838E-18 Laplacian 0.2872709E-01 (-1/4)Del**2(Rho)) -0.7181772E-02 Diamond 0.1304770E-02 Metallicity 0.6916455E+00 Ellipticity 0.7314760E+00 Gb(Abramov) 0.5615721E-02 Vb(Abramov) -0.4049671E-02 Hb(Abramov) 0.1566051E-02 Ex_ueg -0.1087180E-02 Ec_ueg -0.2567052E-03 Delta_ex -0.1627216E-02 Delta_ec 0.1044528E-02 Delta_et -0.6355064E-02 Pxc 0.4235129E+01 Qxc -0.1557848E+01 3,-1 127 3 +1 1.322587 -1.117494 2.156519 Rho 0.2565198E-01 |GRAD(Rho)| 0.4241279E-14 GRAD(Rho)x -0.2751406E-14 GRAD(Rho)y 0.1194293E-14 GRAD(Rho)z 0.2998645E-14 Laplacian 0.1010162E+00 (-1/4)Del**2(Rho)) -0.2525405E-01 Diamond 0.1363972E-01 Metallicity 0.1522032E+01 Ellipticity -0.3625893E+01 Gb(Abramov) 0.2324228E-01 Vb(Abramov) -0.2123051E-01 Hb(Abramov) 0.2011773E-02 Ex_ueg -0.5587441E-02 Ec_ueg -0.1121596E-02 Delta_ex -0.6320930E-02 Delta_ec 0.1705031E-02 Delta_et -0.1514745E-01 Pxc 0.4981687E+01 Qxc -0.3707224E+01 3,+1 128 3 +1 0.464029 -0.775611 -1.770278 Rho 0.6048246E-02 |GRAD(Rho)| 0.1469742E-16 GRAD(Rho)x -0.7671311E-17 GRAD(Rho)y 0.9492051E-17 GRAD(Rho)z 0.8189388E-17 Laplacian 0.2350687E-01 (-1/4)Del**2(Rho)) -0.5876718E-02 Diamond 0.5481660E-03 Metallicity 0.5885735E+00 Ellipticity -0.1841769E+01 Gb(Abramov) 0.4494292E-02 Vb(Abramov) -0.3111866E-02 Hb(Abramov) 0.1382426E-02 Ex_ueg -0.8138749E-03 Ec_ueg -0.1922983E-03 Delta_ex -0.1097849E-02 Delta_ec 0.5344547E-03 Delta_et -0.3153975E-02 Pxc 0.4232356E+01 Qxc -0.2054148E+01 3,+1 129 3 -1 -0.042649 3.194841 -3.148973 Rho 0.2362246E+00 |GRAD(Rho)| 0.1137662E-11 GRAD(Rho)x 0.2301381E-12 GRAD(Rho)y -0.7517067E-12 GRAD(Rho)z 0.8223430E-12 Laplacian 0.8567866E+00 (-1/4)Del**2(Rho)) -0.2141966E+00 Diamond 0.2977822E+01 Metallicity 0.7260206E+01 Ellipticity 0.3079854E-02 Gb(Abramov) 0.4019831E+00 Vb(Abramov) -0.5897695E+00 Hb(Abramov) -0.1877864E+00 Ex_ueg -0.1078496E+00 Ec_ueg -0.1417852E-01 Delta_ex -0.1031164E+00 Delta_ec 0.1906347E-01 Delta_et -0.2641165E+00 Pxc 0.7606548E+01 Qxc -0.5409109E+01 3,-1 130 3 -1 0.081437 3.214821 3.142742 Rho 0.2464214E+00 |GRAD(Rho)| 0.8274128E-14 GRAD(Rho)x 0.9897953E-15 GRAD(Rho)y 0.7983306E-14 GRAD(Rho)z 0.1936060E-14 Laplacian 0.9066281E+00 (-1/4)Del**2(Rho)) -0.2266570E+00 Diamond 0.3294002E+01 Metallicity 0.7361755E+01 Ellipticity 0.2299263E-02 Gb(Abramov) 0.4292036E+00 Vb(Abramov) -0.6317502E+00 Hb(Abramov) -0.2025466E+00 Ex_ueg -0.1141010E+00 Ec_ueg -0.1488414E-01 Delta_ex -0.1102159E+00 Delta_ec 0.1972387E-01 Delta_et -0.2727577E+00 Pxc 0.7665951E+01 Qxc -0.5587944E+01 3,-1 131 3 -1 0.440036 0.423570 -0.503542 Rho 0.1825755E+00 |GRAD(Rho)| 0.3686930E-15 GRAD(Rho)x 0.2671474E-15 GRAD(Rho)y 0.2081668E-15 GRAD(Rho)z -0.1457168E-15 Laplacian 0.4897670E+00 (-1/4)Del**2(Rho)) -0.1224418E+00 Diamond 0.1280628E+01 Metallicity 0.8267247E+01 Ellipticity 0.1429527E-02 Gb(Abramov) 0.2503372E+00 Vb(Abramov) -0.3782327E+00 Hb(Abramov) -0.1278955E+00 Ex_ueg -0.7649650E-01 Ec_ueg -0.1056050E-01 Delta_ex -0.5541727E-01 Delta_ec 0.1214348E-01 Delta_et -0.1665459E+00 Pxc 0.7243644E+01 Qxc -0.4563543E+01 3,-1 132 3 -1 0.872479 -3.008873 1.980961 Rho 0.1552217E+00 |GRAD(Rho)| 0.5928658E-09 GRAD(Rho)x 0.4534321E-09 GRAD(Rho)y -0.2401507E-09 GRAD(Rho)z -0.2970132E-09 Laplacian 0.6084678E+00 (-1/4)Del**2(Rho)) -0.1521169E+00 Diamond 0.1286051E+01 Metallicity 0.5077262E+01 Ellipticity 0.5765757E-01 Gb(Abramov) 0.2301342E+00 Vb(Abramov) -0.3081515E+00 Hb(Abramov) -0.7801729E-01 Ex_ueg -0.6161053E-01 Ec_ueg -0.8778611E-02 Delta_ex -0.6590890E-01 Delta_ec 0.1532828E-01 Delta_et -0.2050543E+00 Pxc 0.7018255E+01 Qxc -0.4299824E+01 3,-1 133 3 +1 -0.175238 -2.280864 -1.107684 Rho 0.7096351E-02 |GRAD(Rho)| 0.1115678E-16 GRAD(Rho)x 0.1100059E-16 GRAD(Rho)y 0.1828416E-17 GRAD(Rho)z 0.3430248E-18 Laplacian 0.2786697E-01 (-1/4)Del**2(Rho)) -0.6966743E-02 Diamond 0.7929525E-03 Metallicity 0.6480103E+00 Ellipticity -0.1878856E+01 Gb(Abramov) 0.5396915E-02 Vb(Abramov) -0.3827088E-02 Hb(Abramov) 0.1569827E-02 Ex_ueg -0.1007160E-02 Ec_ueg -0.2382137E-03 Delta_ex -0.1340544E-02 Delta_ec 0.6195985E-03 Delta_et -0.3835116E-02 Pxc 0.4227970E+01 Qxc -0.2163569E+01 3,+1 134 3 +1 0.335982 -1.597654 -1.632386 Rho 0.5754553E-02 |GRAD(Rho)| 0.3935594E-11 GRAD(Rho)x 0.2078431E-11 GRAD(Rho)y 0.8175687E-12 GRAD(Rho)z -0.3240463E-11 Laplacian 0.2268765E-01 (-1/4)Del**2(Rho)) -0.5671912E-02 Diamond 0.4943025E-03 Metallicity 0.5612758E+00 Ellipticity -0.1745136E+01 Gb(Abramov) 0.4311859E-02 Vb(Abramov) -0.2951806E-02 Hb(Abramov) 0.1360053E-02 Ex_ueg -0.7616121E-03 Ec_ueg -0.1795274E-03 Delta_ex -0.1047820E-02 Delta_ec 0.5152929E-03 Delta_et -0.2997996E-02 Pxc 0.4242316E+01 Qxc -0.2033445E+01 3,+1 135 3 +1 1.340777 -2.200772 1.080987 Rho 0.2987740E-01 |GRAD(Rho)| 0.8300476E-16 GRAD(Rho)x 0.2421458E-16 GRAD(Rho)y -0.7939335E-16 GRAD(Rho)z -0.3735610E-18 Laplacian 0.1197713E+00 (-1/4)Del**2(Rho)) -0.2994283E-01 Diamond 0.2000302E-01 Metallicity 0.1655129E+01 Ellipticity -0.4456827E+01 Gb(Abramov) 0.2822176E-01 Vb(Abramov) -0.2650069E-01 Hb(Abramov) 0.1721069E-02 Ex_ueg -0.6847135E-02 Ec_ueg -0.1337285E-02 Delta_ex -0.7812613E-02 Delta_ec 0.2029215E-02 Delta_et -0.1869824E-01 Pxc 0.5120175E+01 Qxc -0.3850066E+01 3,+1 136 3 -1 0.865194 1.976598 -2.958995 Rho 0.1117528E+00 |GRAD(Rho)| 0.1714052E-13 GRAD(Rho)x 0.8953721E-14 GRAD(Rho)y -0.1368875E-13 GRAD(Rho)z 0.5123130E-14 Laplacian 0.4328500E+00 (-1/4)Del**2(Rho)) -0.1082125E+00 Diamond 0.6116385E+00 Metallicity 0.4127685E+01 Ellipticity 0.2857334E-01 Gb(Abramov) 0.1465862E+00 Vb(Abramov) -0.1849599E+00 Hb(Abramov) -0.3837369E-01 Ex_ueg -0.3975543E-01 Ec_ueg -0.6042337E-02 Delta_ex -0.4323965E-01 Delta_ec 0.1167146E-01 Delta_et -0.1479516E+00 Pxc 0.6579478E+01 Qxc -0.3704733E+01 3,-1 137 3 -1 0.560841 2.791597 1.749081 Rho 0.1483341E+00 |GRAD(Rho)| 0.3458741E-15 GRAD(Rho)x 0.3265481E-15 GRAD(Rho)y 0.8422896E-16 GRAD(Rho)z -0.7681572E-16 Laplacian 0.6192629E+00 (-1/4)Del**2(Rho)) -0.1548157E+00 Diamond 0.1239300E+01 Metallicity 0.4625297E+01 Ellipticity 0.1252314E-01 Gb(Abramov) 0.2225553E+00 Vb(Abramov) -0.2902948E+00 Hb(Abramov) -0.6773954E-01 Ex_ueg -0.5799265E-01 Ec_ueg -0.8336956E-02 Delta_ex -0.6633178E-01 Delta_ec 0.1577529E-01 Delta_et -0.2097164E+00 Pxc 0.6956094E+01 Qxc -0.4204790E+01 3,-1 138 3 -1 0.570235 1.816171 2.743913 Rho 0.1610402E+00 |GRAD(Rho)| 0.2060402E-15 GRAD(Rho)x 0.2038300E-16 GRAD(Rho)y -0.1257403E-15 GRAD(Rho)z -0.1619459E-15 Laplacian 0.6746678E+00 (-1/4)Del**2(Rho)) -0.1686670E+00 Diamond 0.1481631E+01 Metallicity 0.4868709E+01 Ellipticity 0.1645910E-01 Gb(Abramov) 0.2493097E+00 Vb(Abramov) -0.3299524E+00 Hb(Abramov) -0.8064273E-01 Ex_ueg -0.6470893E-01 Ec_ueg -0.9153953E-02 Delta_ex -0.7366867E-01 Delta_ec 0.1669699E-01 Delta_et -0.2240749E+00 Pxc 0.7068961E+01 Qxc -0.4412093E+01 3,-1 139 3 -1 0.878806 2.995590 -1.974745 Rho 0.1571694E+00 |GRAD(Rho)| 0.2556760E-15 GRAD(Rho)x -0.6052559E-16 GRAD(Rho)y -0.1301314E-15 GRAD(Rho)z -0.2115956E-15 Laplacian 0.6106359E+00 (-1/4)Del**2(Rho)) -0.1526590E+00 Diamond 0.1297276E+01 Metallicity 0.5165484E+01 Ellipticity 0.7398050E-01 Gb(Abramov) 0.2331989E+00 Vb(Abramov) -0.3137388E+00 Hb(Abramov) -0.8053992E-01 Ex_ueg -0.6264348E-01 Ec_ueg -0.8904030E-02 Delta_ex -0.6622773E-01 Delta_ec 0.1512032E-01 Delta_et -0.2020782E+00 Pxc 0.7035408E+01 Qxc -0.4380047E+01 3,-1 140 3 +1 1.094414 1.342984 -2.176350 Rho 0.2794272E-01 |GRAD(Rho)| 0.2506842E-15 GRAD(Rho)x -0.2063032E-15 GRAD(Rho)y -0.1353059E-15 GRAD(Rho)z -0.4442823E-16 Laplacian 0.1122574E+00 (-1/4)Del**2(Rho)) -0.2806436E-01 Diamond 0.1687631E-01 Metallicity 0.1579475E+01 Ellipticity -0.3539920E+01 Gb(Abramov) 0.2609739E-01 Vb(Abramov) -0.2413043E-01 Hb(Abramov) 0.1966962E-02 Ex_ueg -0.6262437E-02 Ec_ueg -0.1237987E-02 Delta_ex -0.7170964E-02 Delta_ec 0.1865225E-02 Delta_et -0.1692062E-01 Pxc 0.5058564E+01 Qxc -0.3844556E+01 3,+1 141 3 +3 0.964435 -1.173543 -1.236495 Rho 0.4566228E-02 |GRAD(Rho)| 0.2127413E-16 GRAD(Rho)x 0.1503854E-16 GRAD(Rho)y 0.8176775E-17 GRAD(Rho)z -0.1263214E-16 Laplacian 0.1771803E-01 (-1/4)Del**2(Rho)) -0.4429507E-02 Diamond 0.1452987E-03 Metallicity 0.4887953E+00 Ellipticity -0.5514827E+00 Gb(Abramov) 0.3313859E-02 Vb(Abramov) -0.2198210E-02 Hb(Abramov) 0.1115649E-02 Ex_ueg -0.5594937E-03 Ec_ueg -0.1282938E-03 Delta_ex -0.6347099E-03 Delta_ec 0.1454459E-03 Delta_et -0.9369015E-03 Pxc 0.4361033E+01 Qxc -0.4363890E+01 3,+3 142 3 -1 0.417652 -0.521559 0.420461 Rho 0.1797656E+00 |GRAD(Rho)| 0.1059176E-15 GRAD(Rho)x -0.3469447E-16 GRAD(Rho)y 0.5551115E-16 GRAD(Rho)z 0.8326673E-16 Laplacian 0.4774098E+00 (-1/4)Del**2(Rho)) -0.1193525E+00 Diamond 0.1228403E+01 Metallicity 0.8264811E+01 Ellipticity 0.4199295E-02 Gb(Abramov) 0.2439726E+00 Vb(Abramov) -0.3685927E+00 Hb(Abramov) -0.1246201E+00 Ex_ueg -0.7493085E-01 Ec_ueg -0.1037546E-01 Delta_ex -0.5383394E-01 Delta_ec 0.1192862E-01 Delta_et -0.1634415E+00 Pxc 0.7221933E+01 Qxc -0.4513008E+01 3,-1 143 3 -1 1.747093 0.515412 -1.746180 Rho 0.4602987E-01 |GRAD(Rho)| 0.3229831E-12 GRAD(Rho)x 0.2192078E-12 GRAD(Rho)y -0.8305062E-13 GRAD(Rho)z -0.2221904E-12 Laplacian 0.1840308E+00 (-1/4)Del**2(Rho)) -0.4600770E-01 Diamond 0.8223801E-01 Metallicity 0.2213718E+01 Ellipticity 0.2537463E-01 Gb(Abramov) 0.4764647E-01 Vb(Abramov) -0.4928525E-01 Hb(Abramov) -0.1638776E-02 Ex_ueg -0.1218348E-01 Ec_ueg -0.2196624E-02 Delta_ex -0.1478238E-01 Delta_ec 0.5389789E-02 Delta_et -0.5559095E-01 Pxc 0.5546457E+01 Qxc -0.2742664E+01 3,-1 144 3 +1 1.443745 2.138372 -1.030954 Rho 0.2523819E-01 |GRAD(Rho)| 0.1261941E-15 GRAD(Rho)x 0.9543250E-16 GRAD(Rho)y 0.3370214E-16 GRAD(Rho)z 0.7537739E-16 Laplacian 0.9837422E-01 (-1/4)Del**2(Rho)) -0.2459355E-01 Diamond 0.1197036E-01 Metallicity 0.1521116E+01 Ellipticity -0.2635706E+01 Gb(Abramov) 0.2263064E-01 Vb(Abramov) -0.2066773E-01 Hb(Abramov) 0.1962910E-02 Ex_ueg -0.5467592E-02 Ec_ueg -0.1100714E-02 Delta_ex -0.6019657E-02 Delta_ec 0.1465428E-02 Delta_et -0.1301155E-01 Pxc 0.4967312E+01 Qxc -0.4107779E+01 3,+1 145 3 +1 1.744777 1.788234 1.734873 Rho 0.1214691E-01 |GRAD(Rho)| 0.3589273E-16 GRAD(Rho)x -0.2737366E-16 GRAD(Rho)y 0.2173274E-16 GRAD(Rho)z 0.8164493E-17 Laplacian 0.6050373E-01 (-1/4)Del**2(Rho)) -0.1512593E-01 Diamond 0.2466714E-02 Metallicity 0.7310389E+00 Ellipticity -0.1270301E+01 Gb(Abramov) 0.1192690E-01 Vb(Abramov) -0.8727860E-02 Hb(Abramov) 0.3199037E-02 Ex_ueg -0.2062241E-02 Ec_ueg -0.4663550E-03 Delta_ex -0.2984023E-02 Delta_ec 0.7861093E-03 Delta_et -0.5911479E-02 Pxc 0.4422040E+01 Qxc -0.3795939E+01 3,+1 146 3 -1 1.213310 -2.334549 -1.995384 Rho 0.4801225E-01 |GRAD(Rho)| 0.4001682E-14 GRAD(Rho)x -0.6111764E-15 GRAD(Rho)y -0.3342713E-14 GRAD(Rho)z 0.2113335E-14 Laplacian 0.1273366E+00 (-1/4)Del**2(Rho)) -0.3183415E-01 Diamond 0.9575892E-01 Metallicity 0.3432259E+01 Ellipticity 0.1535246E-01 Gb(Abramov) 0.3943327E-01 Vb(Abramov) -0.4703239E-01 Hb(Abramov) -0.7599124E-02 Ex_ueg -0.1288807E-01 Ec_ueg -0.2305297E-02 Delta_ex -0.1195245E-01 Delta_ec 0.6611618E-02 Delta_et -0.6968693E-01 Pxc 0.5590633E+01 Qxc -0.1807796E+01 3,-1 147 3 +1 2.954372 0.164299 -0.064534 Rho 0.5212851E-02 |GRAD(Rho)| 0.7378011E-17 GRAD(Rho)x -0.1136903E-17 GRAD(Rho)y 0.4874349E-17 GRAD(Rho)z 0.5420629E-17 Laplacian 0.2134379E-01 (-1/4)Del**2(Rho)) -0.5335947E-02 Diamond 0.5625923E-03 Metallicity 0.5059807E+00 Ellipticity -0.6753105E+01 Gb(Abramov) 0.4007279E-02 Vb(Abramov) -0.2678611E-02 Hb(Abramov) 0.1328668E-02 Ex_ueg -0.6675526E-03 Ec_ueg -0.1560841E-03 Delta_ex -0.1101549E-02 Delta_ec 0.7288054E-03 Delta_et -0.3985052E-02 Pxc 0.4276877E+01 Qxc -0.1511445E+01 3,+1 148 3 -1 1.218708 -1.820533 -2.570743 Rho 0.3056540E+00 |GRAD(Rho)| 0.4257967E-15 GRAD(Rho)x -0.2150010E-15 GRAD(Rho)y 0.3579286E-15 GRAD(Rho)z 0.8345392E-16 Laplacian -0.1524211E+01 (-1/4)Del**2(Rho)) 0.3810528E+00 Diamond 0.5156224E+01 Metallicity -0.6270251E+01 Ellipticity 0.3452705E-02 Gb(Abramov) 0.1441809E+00 Vb(Abramov) -0.6694146E+00 Hb(Abramov) -0.5252337E+00 Ex_ueg -0.1520636E+00 Ec_ueg -0.1909578E-01 Delta_ex 0.1486286E+00 Delta_ec 0.5397559E-01 Delta_et -0.1254504E+01 Pxc 0.7963206E+01 Qxc 0.2753627E+01 3,-1 149 3 +1 2.177898 1.338099 -1.079062 Rho 0.2659661E-01 |GRAD(Rho)| 0.6924467E-16 GRAD(Rho)x 0.5791211E-16 GRAD(Rho)y 0.3740218E-16 GRAD(Rho)z 0.6487551E-17 Laplacian 0.1068750E+00 (-1/4)Del**2(Rho)) -0.2671876E-01 Diamond 0.1588273E-01 Metallicity 0.1527968E+01 Ellipticity -0.4697161E+01 Gb(Abramov) 0.2461674E-01 Vb(Abramov) -0.2251472E-01 Hb(Abramov) 0.2102020E-02 Ex_ueg -0.5863454E-02 Ec_ueg -0.1169432E-02 Delta_ex -0.6824178E-02 Delta_ec 0.1931573E-02 Delta_et -0.1728716E-01 Pxc 0.5013931E+01 Qxc -0.3532964E+01 3,+1 150 3 +3 2.319025 0.008258 0.090334 Rho 0.4321955E-02 |GRAD(Rho)| 0.7136602E-15 GRAD(Rho)x -0.5189963E-15 GRAD(Rho)y 0.3357864E-15 GRAD(Rho)z -0.3566529E-15 Laplacian 0.1769437E-01 (-1/4)Del**2(Rho)) -0.4423592E-02 Diamond 0.1415968E-03 Metallicity 0.4465929E+00 Ellipticity -0.3192831E+00 Gb(Abramov) 0.3278319E-02 Vb(Abramov) -0.2133046E-02 Hb(Abramov) 0.1145273E-02 Ex_ueg -0.5199466E-03 Ec_ueg -0.1178515E-03 Delta_ex -0.6327237E-03 Delta_ec 0.1592134E-03 Delta_et -0.9906475E-03 Pxc 0.4411880E+01 Qxc -0.3974060E+01 3,+3 151 3 -1 2.785354 0.538354 1.877113 Rho 0.1059938E+00 |GRAD(Rho)| 0.1244186E-15 GRAD(Rho)x 0.2798597E-17 GRAD(Rho)y -0.1087590E-16 GRAD(Rho)z -0.1239108E-15 Laplacian 0.4397205E+00 (-1/4)Del**2(Rho)) -0.1099301E+00 Diamond 0.5855944E+00 Metallicity 0.3720238E+01 Ellipticity 0.1395476E-01 Gb(Abramov) 0.1414478E+00 Vb(Abramov) -0.1729655E+00 Hb(Abramov) -0.3151766E-01 Ex_ueg -0.3704752E-01 Ec_ueg -0.5689545E-02 Delta_ex -0.4342227E-01 Delta_ec 0.1207387E-01 Delta_et -0.1516528E+00 Pxc 0.6511508E+01 Qxc -0.3596384E+01 3,-1 152 3 +1 2.965993 -0.130093 0.234680 Rho 0.5139253E-02 |GRAD(Rho)| 0.1099873E-16 GRAD(Rho)x -0.4535684E-19 GRAD(Rho)y -0.7257384E-17 GRAD(Rho)z -0.8264400E-17 Laplacian 0.2109765E-01 (-1/4)Del**2(Rho)) -0.5274412E-02 Diamond 0.4846136E-03 Metallicity 0.4998954E+00 Ellipticity -0.2361031E+01 Gb(Abramov) 0.3955717E-02 Vb(Abramov) -0.2637022E-02 Hb(Abramov) 0.1318695E-02 Ex_ueg -0.6550157E-03 Ec_ueg -0.1529103E-03 Delta_ex -0.1031359E-02 Delta_ec 0.6229633E-03 Delta_et -0.3427911E-02 Pxc 0.4283659E+01 Qxc -0.1655570E+01 3,+1 153 3 -1 1.809078 -2.841621 -0.621431 Rho 0.2093025E+00 |GRAD(Rho)| 0.3809039E-15 GRAD(Rho)x -0.3334464E-15 GRAD(Rho)y -0.3401684E-16 GRAD(Rho)z 0.1809533E-15 Laplacian 0.8077229E+00 (-1/4)Del**2(Rho)) -0.2019307E+00 Diamond 0.2411025E+01 Metallicity 0.6294697E+01 Ellipticity 0.3661774E-02 Gb(Abramov) 0.3464693E+00 Vb(Abramov) -0.4910078E+00 Hb(Abramov) -0.1445385E+00 Ex_ueg -0.9178061E-01 Ec_ueg -0.1234295E-01 Delta_ex -0.9411243E-01 Delta_ec 0.1842226E-01 Delta_et -0.2528751E+00 Pxc 0.7435871E+01 Qxc -0.5108625E+01 3,-1 154 3 -1 1.988718 -2.991988 0.825545 Rho 0.1235686E+00 |GRAD(Rho)| 0.2074704E-15 GRAD(Rho)x -0.1620408E-15 GRAD(Rho)y 0.3612426E-16 GRAD(Rho)z 0.1244258E-15 Laplacian 0.4807094E+00 (-1/4)Del**2(Rho)) -0.1201773E+00 Diamond 0.7810097E+00 Metallicity 0.4394513E+01 Ellipticity 0.1998010E-01 Gb(Abramov) 0.1681384E+00 Vb(Abramov) -0.2160994E+00 Hb(Abramov) -0.4796103E-01 Ex_ueg -0.4545649E-01 Ec_ueg -0.6773674E-02 Delta_ex -0.4937121E-01 Delta_ec 0.1299486E-01 Delta_et -0.1682362E+00 Pxc 0.6710758E+01 Qxc -0.3799287E+01 3,-1 155 3 +1 1.901954 -1.784565 -1.726412 Rho 0.1461066E-01 |GRAD(Rho)| 0.3851857E-17 GRAD(Rho)x 0.5460899E-18 GRAD(Rho)y -0.7293189E-18 GRAD(Rho)z 0.3742551E-17 Laplacian 0.6869133E-01 (-1/4)Del**2(Rho)) -0.1717283E-01 Diamond 0.3635910E-02 Metallicity 0.8759806E+00 Ellipticity -0.1408837E+01 Gb(Abramov) 0.1395573E-01 Vb(Abramov) -0.1073863E-01 Hb(Abramov) 0.3217100E-02 Ex_ueg -0.2638022E-02 Ec_ueg -0.5813889E-03 Delta_ex -0.3564267E-02 Delta_ec 0.9031134E-03 Delta_et -0.7094610E-02 Pxc 0.4537448E+01 Qxc -0.3946643E+01 3,+1 156 3 -1 1.765515 1.690133 -0.509333 Rho 0.3852796E-01 |GRAD(Rho)| 0.4941076E-16 GRAD(Rho)x -0.3830579E-16 GRAD(Rho)y -0.9287505E-17 GRAD(Rho)z -0.2979650E-16 Laplacian 0.1580637E+00 (-1/4)Del**2(Rho)) -0.3951592E-01 Diamond 0.5722428E-01 Metallicity 0.1916054E+01 Ellipticity 0.2752854E-01 Gb(Abramov) 0.3896306E-01 Vb(Abramov) -0.3841019E-01 Hb(Abramov) 0.5528687E-03 Ex_ueg -0.9610657E-02 Ec_ueg -0.1791321E-02 Delta_ex -0.1225314E-01 Delta_ec 0.4827715E-02 Delta_et -0.4750533E-01 Pxc 0.5365124E+01 Qxc -0.2538083E+01 3,-1 157 3 -1 2.957269 0.105588 -0.003871 Rho 0.5214636E-02 |GRAD(Rho)| 0.1606231E-12 GRAD(Rho)x 0.2299239E-13 GRAD(Rho)y 0.1580168E-12 GRAD(Rho)z 0.1737299E-13 Laplacian 0.2105865E-01 (-1/4)Del**2(Rho)) -0.5264662E-02 Diamond 0.5953550E-03 Metallicity 0.5131244E+00 Ellipticity 0.6501918E+01 Gb(Abramov) 0.3960012E-02 Vb(Abramov) -0.2655363E-02 Hb(Abramov) 0.1304650E-02 Ex_ueg -0.6678573E-03 Ec_ueg -0.1561611E-03 Delta_ex -0.1122042E-02 Delta_ec 0.7818058E-03 Delta_et -0.4252020E-02 Pxc 0.4276720E+01 Qxc -0.1435192E+01 3,-1 158 3 -1 1.823511 2.770930 0.553706 Rho 0.1269734E+00 |GRAD(Rho)| 0.1330212E-15 GRAD(Rho)x -0.2341877E-16 GRAD(Rho)y 0.1084507E-15 GRAD(Rho)z 0.7338016E-16 Laplacian 0.5279445E+00 (-1/4)Del**2(Rho)) -0.1319861E+00 Diamond 0.8670762E+00 Metallicity 0.4186774E+01 Ellipticity 0.2385773E-02 Gb(Abramov) 0.1800901E+00 Vb(Abramov) -0.2281941E+00 Hb(Abramov) -0.4810396E-01 Ex_ueg -0.4713412E-01 Ec_ueg -0.6986215E-02 Delta_ex -0.5433747E-01 Delta_ec 0.1375541E-01 Delta_et -0.1781609E+00 Pxc 0.6746732E+01 Qxc -0.3950261E+01 3,-1 159 3 -1 2.035397 2.958781 -0.828180 Rho 0.1046985E+00 |GRAD(Rho)| 0.9002132E-16 GRAD(Rho)x -0.3933960E-16 GRAD(Rho)y -0.4031877E-18 GRAD(Rho)z -0.8096957E-16 Laplacian 0.4074539E+00 (-1/4)Del**2(Rho)) -0.1018635E+00 Diamond 0.5335638E+00 Metallicity 0.3933405E+01 Ellipticity 0.2048235E-01 Gb(Abramov) 0.1346874E+00 Vb(Abramov) -0.1675113E+00 Hb(Abramov) -0.3282390E-01 Ex_ueg -0.3644508E-01 Ec_ueg -0.5610538E-02 Delta_ex -0.4010271E-01 Delta_ec 0.1118784E-01 Delta_et -0.1401523E+00 Pxc 0.6495827E+01 Qxc -0.3584492E+01 3,-1 160 3 -1 1.934552 -0.618176 -2.819054 Rho 0.1575879E+00 |GRAD(Rho)| 0.1333691E-12 GRAD(Rho)x 0.8551688E-13 GRAD(Rho)y 0.1013728E-12 GRAD(Rho)z 0.1406203E-13 Laplacian 0.6037842E+00 (-1/4)Del**2(Rho)) -0.1509461E+00 Diamond 0.1322482E+01 Metallicity 0.5247303E+01 Ellipticity 0.1139233E+00 Gb(Abramov) 0.2326407E+00 Vb(Abramov) -0.3143352E+00 Hb(Abramov) -0.8169460E-01 Ex_ueg -0.6286595E-01 Ec_ueg -0.8931004E-02 Delta_ex -0.6586041E-01 Delta_ec 0.1553441E-01 Delta_et -0.2091722E+00 Pxc 0.7039069E+01 Qxc -0.4239646E+01 3,-1 161 3 -1 1.959710 -0.881033 3.040409 Rho 0.1482665E+00 |GRAD(Rho)| 0.3702643E-14 GRAD(Rho)x 0.2363303E-14 GRAD(Rho)y 0.2346444E-14 GRAD(Rho)z -0.1618199E-14 Laplacian 0.5780074E+00 (-1/4)Del**2(Rho)) -0.1445019E+00 Diamond 0.1146892E+01 Metallicity 0.4951669E+01 Ellipticity 0.5710030E-01 Gb(Abramov) 0.2155888E+00 Vb(Abramov) -0.2866758E+00 Hb(Abramov) -0.7108695E-01 Ex_ueg -0.5795745E-01 Ec_ueg -0.8332640E-02 Delta_ex -0.6181261E-01 Delta_ec 0.1455959E-01 Delta_et -0.1931655E+00 Pxc 0.6955472E+01 Qxc -0.4245493E+01 3,-1 162 3 -1 1.716218 -0.603822 1.740160 Rho 0.3683781E-01 |GRAD(Rho)| 0.3803730E-16 GRAD(Rho)x -0.1386180E-16 GRAD(Rho)y -0.2479276E-16 GRAD(Rho)z -0.2529833E-16 Laplacian 0.1529552E+00 (-1/4)Del**2(Rho)) -0.3823881E-01 Diamond 0.5170929E-01 Metallicity 0.1837406E+01 Ellipticity 0.3546499E-01 Gb(Abramov) 0.3720258E-01 Vb(Abramov) -0.3616634E-01 Hb(Abramov) 0.1036234E-02 Ex_ueg -0.9052672E-02 Ec_ueg -0.1701411E-02 Delta_ex -0.1170211E-01 Delta_ec 0.4627850E-02 Delta_et -0.4498158E-01 Pxc 0.5320685E+01 Qxc -0.2528628E+01 3,-1 163 3 -1 2.815363 1.812986 0.624680 Rho 0.1576373E+00 |GRAD(Rho)| 0.2151992E-15 GRAD(Rho)x -0.6253136E-16 GRAD(Rho)y 0.1826881E-15 GRAD(Rho)z 0.9500322E-16 Laplacian 0.6623523E+00 (-1/4)Del**2(Rho)) -0.1655881E+00 Diamond 0.1395770E+01 Metallicity 0.4785812E+01 Ellipticity 0.3499805E-01 Gb(Abramov) 0.2424710E+00 Vb(Abramov) -0.3193538E+00 Hb(Abramov) -0.7688288E-01 Ex_ueg -0.6289222E-01 Ec_ueg -0.8934189E-02 Delta_ex -0.7173674E-01 Delta_ec 0.1611543E-01 Delta_et -0.2147736E+00 Pxc 0.7039500E+01 Qxc -0.4451431E+01 3,-1 164 3 -1 2.782430 -1.786114 -0.591384 Rho 0.1464149E+00 |GRAD(Rho)| 0.1639666E-15 GRAD(Rho)x -0.3064226E-16 GRAD(Rho)y 0.1518696E-15 GRAD(Rho)z 0.5368156E-16 Laplacian 0.6044935E+00 (-1/4)Del**2(Rho)) -0.1511234E+00 Diamond 0.1190532E+01 Metallicity 0.4636572E+01 Ellipticity 0.1143041E-01 Gb(Abramov) 0.2175313E+00 Vb(Abramov) -0.2839393E+00 Hb(Abramov) -0.6640795E-01 Ex_ueg -0.5699439E-01 Ec_ueg -0.8214413E-02 Delta_ex -0.6453889E-01 Delta_ec 0.1544068E-01 Delta_et -0.2048700E+00 Pxc 0.6938340E+01 Qxc -0.4179796E+01 3,-1 165 3 -1 2.958255 -1.978732 0.826165 Rho 0.9072152E-01 |GRAD(Rho)| 0.6177808E-15 GRAD(Rho)x -0.1729353E-15 GRAD(Rho)y -0.5189568E-15 GRAD(Rho)z -0.2871069E-15 Laplacian 0.3598136E+00 (-1/4)Del**2(Rho)) -0.8995341E-01 Diamond 0.3973893E+00 Metallicity 0.3507945E+01 Ellipticity 0.7841667E-02 Gb(Abramov) 0.1125609E+00 Vb(Abramov) -0.1351683E+00 Hb(Abramov) -0.2260746E-01 Ex_ueg -0.3010686E-01 Ec_ueg -0.4766510E-02 Delta_ex -0.3427447E-01 Delta_ec 0.1023136E-01 Delta_et -0.1245726E+00 Pxc 0.6316332E+01 Qxc -0.3349941E+01 3,-1 166 3 -1 3.030479 1.984262 -0.810045 Rho 0.1426784E+00 |GRAD(Rho)| 0.1816021E-11 GRAD(Rho)x 0.7373000E-12 GRAD(Rho)y -0.9435507E-12 GRAD(Rho)z -0.1365296E-11 Laplacian 0.5583931E+00 (-1/4)Del**2(Rho)) -0.1395983E+00 Diamond 0.1058888E+01 Metallicity 0.4807695E+01 Ellipticity 0.5170658E-01 Gb(Abramov) 0.2049232E+00 Vb(Abramov) -0.2702480E+00 Hb(Abramov) -0.6532489E-01 Ex_ueg -0.5506336E-01 Ec_ueg -0.7976486E-02 Delta_ex -0.5916429E-01 Delta_ec 0.1421660E-01 Delta_et -0.1876259E+00 Pxc 0.6903210E+01 Qxc -0.4161633E+01 3,-1 167 3 -1 3.278628 0.000083 -3.201013 Rho 0.2463854E+00 |GRAD(Rho)| 0.7490176E-16 GRAD(Rho)x -0.3230922E-16 GRAD(Rho)y -0.3117081E-16 GRAD(Rho)z -0.5995638E-16 Laplacian 0.8987833E+00 (-1/4)Del**2(Rho)) -0.2246958E+00 Diamond 0.3270027E+01 Metallicity 0.7424201E+01 Ellipticity 0.2876057E-02 Gb(Abramov) 0.4278284E+00 Vb(Abramov) -0.6309609E+00 Hb(Abramov) -0.2031326E+00 Ex_ueg -0.1140788E+00 Ec_ueg -0.1488163E-01 Delta_ex -0.1092842E+00 Delta_ec 0.1960088E-01 Delta_et -0.2712713E+00 Pxc 0.7665745E+01 Qxc -0.5575476E+01 3,-1 168 3 -1 3.175004 0.000505 3.266952 Rho 0.2369692E+00 |GRAD(Rho)| 0.4329776E-13 GRAD(Rho)x -0.2894917E-13 GRAD(Rho)y -0.9770830E-14 GRAD(Rho)z -0.3067853E-13 Laplacian 0.8436948E+00 (-1/4)Del**2(Rho)) -0.2109237E+00 Diamond 0.2955265E+01 Metallicity 0.7411642E+01 Ellipticity 0.4651550E-02 Gb(Abramov) 0.4011643E+00 Vb(Abramov) -0.5914049E+00 Hb(Abramov) -0.1902406E+00 Ex_ueg -0.1083031E+00 Ec_ueg -0.1422986E-01 Delta_ex -0.1016881E+00 Delta_ec 0.1886903E-01 Delta_et -0.2619496E+00 Pxc 0.7610978E+01 Qxc -0.5389153E+01 3,-1 169 3 -1 3.022933 0.868153 -1.984991 Rho 0.1295025E+00 |GRAD(Rho)| 0.4000723E-15 GRAD(Rho)x -0.7028341E-16 GRAD(Rho)y -0.2712674E-15 GRAD(Rho)z -0.2855382E-15 Laplacian 0.5200195E+00 (-1/4)Del**2(Rho)) -0.1300049E+00 Diamond 0.8894671E+00 Metallicity 0.4392623E+01 Ellipticity 0.2218297E-01 Gb(Abramov) 0.1818470E+00 Vb(Abramov) -0.2336891E+00 Hb(Abramov) -0.5184212E-01 Ex_ueg -0.4839005E-01 Ec_ueg -0.7144598E-02 Delta_ex -0.5395804E-01 Delta_ec 0.1380794E-01 Delta_et -0.1800182E+00 Pxc 0.6772957E+01 Qxc -0.3907755E+01 3,-1 170 3 -1 3.192864 -3.196193 -0.111906 Rho 0.2422995E+00 |GRAD(Rho)| 0.2437877E-14 GRAD(Rho)x -0.1454999E-15 GRAD(Rho)y -0.1883693E-14 GRAD(Rho)z -0.1540705E-14 Laplacian 0.8909710E+00 (-1/4)Del**2(Rho)) -0.2227427E+00 Diamond 0.3173607E+01 Metallicity 0.7283451E+01 Ellipticity 0.1051244E-01 Gb(Abramov) 0.4188845E+00 Vb(Abramov) -0.6150262E+00 Hb(Abramov) -0.1961417E+00 Ex_ueg -0.1115634E+00 Ec_ueg -0.1459822E-01 Delta_ex -0.1078430E+00 Delta_ec 0.1949637E-01 Delta_et -0.2695609E+00 Pxc 0.7642263E+01 Qxc -0.5531443E+01 3,-1 171 3 -1 -2.032118 2.961464 0.852715 Rho 0.1396205E+00 |GRAD(Rho)| 0.1058335E-15 GRAD(Rho)x 0.1172294E-16 GRAD(Rho)y -0.8117964E-16 GRAD(Rho)z -0.6688172E-16 Laplacian 0.5461209E+00 (-1/4)Del**2(Rho)) -0.1365302E+00 Diamond 0.1007419E+01 Metallicity 0.4741397E+01 Ellipticity 0.5508655E-01 Gb(Abramov) 0.1989108E+00 Vb(Abramov) -0.2612914E+00 Hb(Abramov) -0.6238060E-01 Ex_ueg -0.5349551E-01 Ec_ueg -0.7782424E-02 Delta_ex -0.5754113E-01 Delta_ec 0.1394705E-01 Delta_et -0.1834168E+00 Pxc 0.6873888E+01 Qxc -0.4125685E+01 3,-1 172 3 -1 -2.854353 -1.778206 0.596394 Rho 0.1341888E+00 |GRAD(Rho)| 0.4352155E-15 GRAD(Rho)x 0.3181252E-15 GRAD(Rho)y 0.2909185E-15 GRAD(Rho)z 0.5979375E-16 Laplacian 0.5562386E+00 (-1/4)Del**2(Rho)) -0.1390596E+00 Diamond 0.9749303E+00 Metallicity 0.4357251E+01 Ellipticity 0.1653868E-01 Gb(Abramov) 0.1936927E+00 Vb(Abramov) -0.2483258E+00 Hb(Abramov) -0.5463308E-01 Ex_ueg -0.5073879E-01 Ec_ueg -0.7439188E-02 Delta_ex -0.5800477E-01 Delta_ec 0.1427340E-01 Delta_et -0.1864435E+00 Pxc 0.6820474E+01 Qxc -0.4063837E+01 3,-1 173 3 -1 -2.780872 0.550541 -1.801711 Rho 0.1398451E+00 |GRAD(Rho)| 0.3853474E-15 GRAD(Rho)x 0.1633825E-15 GRAD(Rho)y -0.3448034E-15 GRAD(Rho)z 0.5393906E-16 Laplacian 0.5876201E+00 (-1/4)Del**2(Rho)) -0.1469050E+00 Diamond 0.1101811E+01 Metallicity 0.4418367E+01 Ellipticity 0.5179455E-02 Gb(Abramov) 0.2061167E+00 Vb(Abramov) -0.2653285E+00 Hb(Abramov) -0.5921171E-01 Ex_ueg -0.5361026E-01 Ec_ueg -0.7796656E-02 Delta_ex -0.6211011E-01 Delta_ec 0.1530841E-01 Delta_et -0.2020148E+00 Pxc 0.6876059E+01 Qxc -0.4057255E+01 3,-1 174 3 -1 -2.100238 -3.032651 -0.764715 Rho 0.1290904E+00 |GRAD(Rho)| 0.6714434E-12 GRAD(Rho)x 0.3738361E-12 GRAD(Rho)y -0.3563367E-12 GRAD(Rho)z -0.4290769E-12 Laplacian 0.4616437E+00 (-1/4)Del**2(Rho)) -0.1154109E+00 Diamond 0.7959355E+00 Metallicity 0.4921863E+01 Ellipticity 0.1162784E+00 Gb(Abramov) 0.1716134E+00 Vb(Abramov) -0.2278159E+00 Hb(Abramov) -0.5620249E-01 Ex_ueg -0.4818484E-01 Ec_ueg -0.7118760E-02 Delta_ex -0.4797779E-01 Delta_ec 0.1247001E-01 Delta_et -0.1628600E+00 Pxc 0.6768712E+01 Qxc -0.3847453E+01 3,-1 175 3 -1 -1.901333 -2.729575 0.562691 Rho 0.1008642E+00 |GRAD(Rho)| 0.1696147E-15 GRAD(Rho)x 0.8482527E-16 GRAD(Rho)y 0.6282952E-16 GRAD(Rho)z 0.1327639E-15 Laplacian 0.4180876E+00 (-1/4)Del**2(Rho)) -0.1045219E+00 Diamond 0.5230184E+00 Metallicity 0.3602253E+01 Ellipticity 0.1820532E-01 Gb(Abramov) 0.1324337E+00 Vb(Abramov) -0.1603454E+00 Hb(Abramov) -0.2791176E-01 Ex_ueg -0.3467643E-01 Ec_ueg -0.5377431E-02 Delta_ex -0.4078507E-01 Delta_ec 0.1156400E-01 Delta_et -0.1438038E+00 Pxc 0.6448512E+01 Qxc -0.3526899E+01 3,-1 176 3 -1 -1.856741 2.715966 -0.542651 Rho 0.1065700E+00 |GRAD(Rho)| 0.5616302E-14 GRAD(Rho)x -0.4177851E-14 GRAD(Rho)y -0.4683381E-15 GRAD(Rho)z 0.3724119E-14 Laplacian 0.4424891E+00 (-1/4)Del**2(Rho)) -0.1106223E+00 Diamond 0.5902286E+00 Metallicity 0.3730515E+01 Ellipticity 0.6515500E-02 Gb(Abramov) 0.1425279E+00 Vb(Abramov) -0.1744334E+00 Hb(Abramov) -0.3190558E-01 Ex_ueg -0.3731627E-01 Ec_ueg -0.5724728E-02 Delta_ex -0.4370554E-01 Delta_ec 0.1205331E-01 Delta_et -0.1514394E+00 Pxc 0.6518436E+01 Qxc -0.3626021E+01 3,-1 177 3 -1 -1.684262 -2.206347 -3.073616 Rho 0.3220686E+00 |GRAD(Rho)| 0.1865458E-13 GRAD(Rho)x -0.1623586E-13 GRAD(Rho)y 0.2233181E-14 GRAD(Rho)z -0.8910832E-14 Laplacian -0.1653122E+01 (-1/4)Del**2(Rho)) 0.4132804E+00 Diamond 0.5794552E+01 Metallicity -0.6307960E+01 Ellipticity 0.2254255E-02 Gb(Abramov) 0.1589725E+00 Vb(Abramov) -0.7312253E+00 Hb(Abramov) -0.5722529E+00 Ex_ueg -0.1630483E+00 Ec_ueg -0.2029724E-01 Delta_ex 0.1651392E+00 Delta_ec 0.5749796E-01 Delta_et -0.1369146E+01 Pxc 0.8033028E+01 Qxc 0.2872088E+01 3,-1 178 3 -1 -0.559284 -1.823166 2.779491 Rho 0.1233415E+00 |GRAD(Rho)| 0.2167777E-15 GRAD(Rho)x -0.1628878E-15 GRAD(Rho)y 0.1140445E-15 GRAD(Rho)z 0.8633637E-16 Laplacian 0.5130011E+00 (-1/4)Del**2(Rho)) -0.1282503E+00 Diamond 0.8277117E+00 Metallicity 0.4105288E+01 Ellipticity 0.1604892E-01 Gb(Abramov) 0.1732509E+00 Vb(Abramov) -0.2182515E+00 Hb(Abramov) -0.4500062E-01 Ex_ueg -0.4534514E-01 Ec_ueg -0.6759527E-02 Delta_ex -0.5261391E-01 Delta_ec 0.1378322E-01 Delta_et -0.1782326E+00 Pxc 0.6708330E+01 Qxc -0.3817243E+01 3,-1 179 3 -1 -0.074088 0.084738 2.923285 Rho 0.5350789E-02 |GRAD(Rho)| 0.2009654E-14 GRAD(Rho)x 0.1387774E-14 GRAD(Rho)y -0.1343083E-14 GRAD(Rho)z 0.5558076E-15 Laplacian 0.2164597E-01 (-1/4)Del**2(Rho)) -0.5411494E-02 Diamond 0.6230022E-03 Metallicity 0.5211135E+00 Ellipticity 0.7227279E+01 Gb(Abramov) 0.4077663E-02 Vb(Abramov) -0.2743832E-02 Hb(Abramov) 0.1333831E-02 Ex_ueg -0.6912081E-03 Ec_ueg -0.1620398E-03 Delta_ex -0.1149868E-02 Delta_ec 0.7876827E-03 Delta_et -0.4323180E-02 Pxc 0.4265669E+01 Qxc -0.1459812E+01 3,-1 180 3 -1 -0.495782 0.438145 0.449873 Rho 0.1798720E+00 |GRAD(Rho)| 0.4094682E-15 GRAD(Rho)x -0.3885781E-15 GRAD(Rho)y -0.1283695E-15 GRAD(Rho)z 0.1387779E-16 Laplacian 0.4807059E+00 (-1/4)Del**2(Rho)) -0.1201765E+00 Diamond 0.1235183E+01 Metallicity 0.8216238E+01 Ellipticity 0.7056149E-02 Gb(Abramov) 0.2446841E+00 Vb(Abramov) -0.3691917E+00 Hb(Abramov) -0.1245076E+00 Ex_ueg -0.7498997E-01 Ec_ueg -0.1038245E-01 Delta_ex -0.5419346E-01 Delta_ec 0.1197312E-01 Delta_et -0.1639583E+00 Pxc 0.7222760E+01 Qxc -0.4526260E+01 3,-1 181 3 -1 2.014802 0.837231 -3.009674 Rho 0.1578613E+00 |GRAD(Rho)| 0.3823154E-15 GRAD(Rho)x -0.3486930E-15 GRAD(Rho)y 0.5421011E-17 GRAD(Rho)z -0.1566808E-15 Laplacian 0.6198537E+00 (-1/4)Del**2(Rho)) -0.1549634E+00 Diamond 0.1341298E+01 Metallicity 0.5126055E+01 Ellipticity 0.5412198E-01 Gb(Abramov) 0.2357008E+00 Vb(Abramov) -0.3164381E+00 Hb(Abramov) -0.8073735E-01 Ex_ueg -0.6301140E-01 Ec_ueg -0.8948632E-02 Delta_ex -0.6746334E-01 Delta_ec 0.1562180E-01 Delta_et -0.2096269E+00 Pxc 0.7041456E+01 Qxc -0.4318538E+01 3,-1 182 3 -1 3.234898 3.174341 0.112377 Rho 0.2371976E+00 |GRAD(Rho)| 0.2000140E-13 GRAD(Rho)x -0.1347474E-13 GRAD(Rho)y -0.1430887E-13 GRAD(Rho)z -0.3707280E-14 Laplacian 0.8456364E+00 (-1/4)Del**2(Rho)) -0.2114091E+00 Diamond 0.2965551E+01 Metallicity 0.7406506E+01 Ellipticity 0.1176771E-02 Gb(Abramov) 0.4019065E+00 Vb(Abramov) -0.5924040E+00 Hb(Abramov) -0.1904974E+00 Ex_ueg -0.1084423E+00 Ec_ueg -0.1424561E-01 Delta_ex -0.1019479E+00 Delta_ec 0.1890758E-01 Delta_et -0.2624972E+00 Pxc 0.7612334E+01 Qxc -0.5391909E+01 3,-1 183 3 -1 2.991405 -0.868034 2.046653 Rho 0.1708080E+00 |GRAD(Rho)| 0.7891276E-13 GRAD(Rho)x -0.2766307E-13 GRAD(Rho)y 0.5262189E-13 GRAD(Rho)z 0.5189330E-13 Laplacian 0.6628364E+00 (-1/4)Del**2(Rho)) -0.1657091E+00 Diamond 0.1553397E+01 Metallicity 0.5466639E+01 Ellipticity 0.6667637E-01 Gb(Abramov) 0.2614514E+00 Vb(Abramov) -0.3571936E+00 Hb(Abramov) -0.9574228E-01 Ex_ueg -0.6999429E-01 Ec_ueg -0.9788573E-02 Delta_ex -0.7337284E-01 Delta_ec 0.1602431E-01 Delta_et -0.2161874E+00 Pxc 0.7150612E+01 Qxc -0.4578845E+01 3,-1 184 3 -1 -1.791297 0.545695 -2.813273 Rho 0.1723444E+00 |GRAD(Rho)| 0.1731859E-13 GRAD(Rho)x 0.1516999E-13 GRAD(Rho)y -0.6584089E-15 GRAD(Rho)z 0.8328950E-14 Laplacian 0.7111655E+00 (-1/4)Del**2(Rho)) -0.1777914E+00 Diamond 0.1689747E+01 Metallicity 0.5171753E+01 Ellipticity 0.2484986E-01 Gb(Abramov) 0.2717764E+00 Vb(Abramov) -0.3657615E+00 Hb(Abramov) -0.9398505E-01 Ex_ueg -0.7083501E-01 Ec_ueg -0.9888905E-02 Delta_ex -0.7894164E-01 Delta_ec 0.1722744E-01 Delta_et -0.2328620E+00 Pxc 0.7163079E+01 Qxc -0.4582320E+01 3,-1 185 3 -1 -1.708559 0.515122 1.780926 Rho 0.4247852E-01 |GRAD(Rho)| 0.1196612E-13 GRAD(Rho)x -0.1145648E-14 GRAD(Rho)y 0.9324539E-14 GRAD(Rho)z -0.7411372E-14 Laplacian 0.1750997E+00 (-1/4)Del**2(Rho)) -0.4377494E-01 Diamond 0.7231730E-01 Metallicity 0.2035214E+01 Ellipticity 0.1786810E-01 Gb(Abramov) 0.4403185E-01 Vb(Abramov) -0.4428876E-01 Hb(Abramov) -0.2569124E-03 Ex_ueg -0.1094656E-01 Ec_ueg -0.2003540E-02 Delta_ex -0.1390089E-01 Delta_ec 0.5338135E-02 Delta_et -0.5393324E-01 Pxc 0.5463610E+01 Qxc -0.2604073E+01 3,-1 186 3 -1 -0.853651 -3.433239 -1.263149 Rho 0.3199828E+00 |GRAD(Rho)| 0.2438798E-13 GRAD(Rho)x -0.2140942E-13 GRAD(Rho)y 0.6825595E-14 GRAD(Rho)z 0.9477420E-14 Laplacian -0.1661646E+01 (-1/4)Del**2(Rho)) 0.4154116E+00 Diamond 0.5721444E+01 Metallicity -0.6208006E+01 Ellipticity 0.4616936E-02 Gb(Abramov) 0.1528719E+00 Vb(Abramov) -0.7211554E+00 Hb(Abramov) -0.5682835E+00 Ex_ueg -0.1616419E+00 Ec_ueg -0.2014373E-01 Delta_ex 0.1657777E+00 Delta_ec 0.5742044E-01 Delta_et -0.1365016E+01 Pxc 0.8024425E+01 Qxc 0.2887085E+01 3,-1 187 3 -1 2.820607 -0.531950 -1.795357 Rho 0.1303703E+00 |GRAD(Rho)| 0.2070109E-15 GRAD(Rho)x -0.7685299E-16 GRAD(Rho)y -0.1859000E-15 GRAD(Rho)z 0.4887041E-16 Laplacian 0.5365448E+00 (-1/4)Del**2(Rho)) -0.1341362E+00 Diamond 0.9211821E+00 Metallicity 0.4304985E+01 Ellipticity 0.1906616E-01 Gb(Abramov) 0.1856665E+00 Vb(Abramov) -0.2371969E+00 Hb(Abramov) -0.5153033E-01 Ex_ueg -0.4882288E-01 Ec_ueg -0.7199039E-02 Delta_ex -0.5571486E-01 Delta_ec 0.1413953E-01 Delta_et -0.1843871E+00 Pxc 0.6781860E+01 Qxc -0.3940361E+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 81 82 83 107 178 106 119 132 120 142 115 131 180 113 125 112 136 139 129 123 138 137 111 103 130 109 164 153 165 154 170 156 163 158 166 159 182 96 87 176 77 171 64 88 172 175 58 174 74 56 173 184 61 91 66 185 80 93 70 97 69 162 151 124 183 161 168 143 187 160 169 181 167 79 126 67 157 81 148 179 114 118 146 177 89 186 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 18 21 21 22 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 19 20 36 54 24 27 53 54 52 52 53 2.365431 1.990483 1.870923 1.998579 1.910650 1.732452 1.713493 1.685235 1.706608 1.712839 2.384598 2.051189 1.882502 2.020002 1.881402 1.722576 2.363316 1.885503 1.917353 1.966971 1.983977 1.733572 2.384410 1.923305 1.795410 2.125655 2.001395 1.740090 2.459302 1.867835 1.955491 1.919606 2.046152 1.721372 2.404087 1.936299 2.025834 1.900537 1.929129 1.722102 2.396400 1.932112 2.048412 1.868804 1.973140 1.722439 2.321858 1.940347 1.859544 2.075508 1.930656 1.734507 2.419723 1.943336 1.891515 2.013715 1.940531 1.720946 2.477678 2.027214 2.016586 1.848470 1.903484 1.721701 2.403511 1.969669 1.908541 1.980853 1.904068 1.733782 3.206487 3.129360 3.247572 3.277351 3.322855 1.008201 3.265472 3.237774 1.889364 1.674594 0.992693 1.955841 0.996924 2.367097 1.990854 1.871405 1.999255 1.911265 1.732457 1.713510 1.685282 1.706620 1.712845 2.386327 2.051672 1.883086 2.020810 1.882049 1.722595 2.365069 1.885918 1.917797 1.967570 1.984648 1.733580 2.385956 1.923692 1.795495 2.126291 2.002068 1.740109 2.461085 1.868361 1.956034 1.920413 2.046921 1.721385 2.405831 1.936920 2.026341 1.901190 1.929894 1.722123 2.398650 1.932829 2.048932 1.869490 1.974666 1.722461 2.323734 1.940753 1.859951 2.076083 1.932148 1.734516 2.421248 1.943942 1.892114 2.014562 1.941338 1.720961 2.479289 2.027780 2.017208 1.849069 1.904172 1.721718 2.405358 1.970144 1.909875 1.981468 1.904684 1.733787 3.233119 3.135464 3.255887 3.288245 3.327696 1.008293 3.279900 3.244774 1.890325 1.678560 0.992822 1.966735 0.997077 30 27 26 28 27 22 23 23 26 22 30 28 28 27 27 24 32 29 29 27 27 24 30 27 27 29 26 24 33 29 30 27 28 25 30 29 29 29 28 23 30 26 27 25 26 23 30 27 24 27 26 23 31 26 28 26 28 24 31 28 28 24 26 22 29 27 28 27 26 22 35 33 35 35 35 19 35 35 27 25 22 30 23 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 Mo W W Mo Mo Mo W Mo Mo W 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 2.4768 2.4567 2.3752 2.4805 2.4283 2.3626 2.3556 2.3684 2.4940 2.3627 2.3587 2.4585 -1.1271 -1.0394 -1.1248 -1.1302 -0.8989 -0.9708 -0.9208 -0.8942 -0.7580 -0.9266 -0.9265 -0.9088 -0.8970 -0.9341 -0.9273 -0.8890 -0.8861 -0.8970 -0.9171 -0.8860 -0.9133 -0.9235 -0.9196 -0.7654 -0.7901 -0.9135 -0.9641 -0.8849 -0.7625 -0.7673 -0.6841 -0.7656 -0.7877 -0.6868 -0.6840 -0.6857 -0.7648 -0.6828 -0.6881 0.2974 0.3225 0.2961 2.0898 0.8221 1.9279 2.0867 2.1135 1.9306 1.9359 1.9634 2.0997 1.9313 1.9545 2.0976 1.9352 1.9465 1.9373 1.9342 1.9415 1.9327 1.9377 1.9445 1.8791 1.9385 1.9401 1.9412 1.9434 1.9384 1.9384 1.9619 1.9553 1.9523 1.9500 1.9514 1.9494 1.9490 1.9505 1.8822 1.8848 1.9505 1.9464 1.9524 1.9704 1.9681 1.9814 1.9698 1.9666 1.9819 1.9811 1.9808 1.9687 1.9820 1.9815 0.5678 0.5407 0.5384 6.0897 1.1656 6.0637 6.0903 6.1037 6.0712 6.0681 6.0604 6.0881 6.0685 6.0570 6.1093 5.1547 5.0549 5.1502 5.1588 4.9308 5.0081 4.9549 4.9228 4.8467 4.9603 4.9573 4.9391 4.9275 4.9669 4.9602 4.8932 4.9013 4.9140 4.9369 4.9061 4.9333 4.9449 4.9389 4.8517 4.8752 4.9332 4.9853 4.9038 4.7553 4.7628 4.6680 4.7591 4.7857 4.6700 4.6682 4.6703 4.7598 4.6658 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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 2.511608 2.316109 3.171877 2.515769 2.485297 3.177403 3.179927 3.179999 2.529189 3.178850 3.172686 2.516278 -1.131111 -1.075197 -1.172931 -1.181566 -1.177587 -0.957875 -1.066963 -1.164888 -0.611101 -1.043819 -1.026471 -1.067283 -1.169034 -1.029560 -1.060632 -0.758341 -1.050887 -1.037828 -1.043766 -1.136397 -1.047818 -1.014055 -1.035386 -0.583307 -0.664549 -1.036729 -0.929774 -1.132497 -0.790051 -0.801464 -0.950688 -0.793909 -0.823755 -0.952622 -0.951479 -0.952271 -0.794056 -0.948530 -0.955202 0.069606 0.066355 0.050427 1.955687 1.686699 2.378440 1.958905 1.919460 2.380500 2.378027 2.351679 1.964141 2.377124 2.377016 1.953381 -0.806889 -0.781133 -0.865420 -0.875509 -0.901329 -0.722861 -0.804186 -0.913746 -0.720505 -0.812511 -0.793355 -0.818790 -0.915819 -0.796802 -0.807334 -0.628597 -0.847964 -0.834408 -0.835262 -0.920582 -0.840833 -0.821994 -0.833977 -0.735340 -0.824350 -0.833871 -0.756315 -0.917514 -0.670046 -0.673271 -0.707026 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Jun10-2024 18:09:19 Nodes: 1 Procs: 1 Jun10-2024 18:09:21 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 18:09:23 Nodes: 1 Procs: 1 Jun10-2024 18:09:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 18:09:27 Nodes: 1 Procs: 1 Jun10-2024 18:09:30 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 18:09:35 Nodes: 1 Procs: 5 *** (NO TITLE) *** -4 -15.78378104 -16.16854805 -15.76305072 -16.16735815 -16.29623927 -16.31982846 -16.33022488 -16.33133405 -16.33169875 -16.33618660 -16.33800213 -16.33928412 -16.34319033 -16.34472808 -16.34458533 -16.34583021 -16.34609366 -16.34629766 -16.34656475 -16.34669740 -16.34687748 -16.34709472 -16.34720556 -16.34740549 -16.34752141 -16.34768111 -16.34774962 -16.34779908 -16.34782424 -16.34785385 -16.34788373 -16.34790547 -16.34792648 -16.34794748 GEOMETRY CONVERGED