ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 01:41:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.32 0.02 0.37 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 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 01:41:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.67 0.03 0.74 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 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 0 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 01:41:26 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.56 0.02 0.61 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 0 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr21-2024 01:41:26 Nodes: 1 Procs: 1 Apr21-2024 01:41:27 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 01:41:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.40 0.04 0.47 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 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 0 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr21-2024 01:41:26 Nodes: 1 Procs: 1 Apr21-2024 01:41:27 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr21-2024 01:41:27 Nodes: 1 Procs: 1 Apr21-2024 01:41:28 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 01:41:28 Hydrogen (TZP) kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 kimik2219 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.18 0.03 1.26 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 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 0 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr21-2024 01:41:26 Nodes: 1 Procs: 1 Apr21-2024 01:41:27 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr21-2024 01:41:27 Nodes: 1 Procs: 1 Apr21-2024 01:41:28 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr21-2024 01:41:28 Nodes: 1 Procs: 1 Apr21-2024 01:41:29 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr21-2024 01:41:31 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2586.4021000000043 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0.3192729E+03 3,-3 48 3 -3 -3.834737 -3.637357 0.261357 Rho 0.3193096E+03 3,-3 49 3 -3 -3.801148 0.300839 -3.583517 Rho 0.3192387E+03 3,-3 50 3 -3 -3.730125 -0.188783 3.783675 Rho 0.3193071E+03 3,-3 51 3 -3 3.719009 0.183158 3.727968 Rho 0.3192976E+03 3,-3 52 3 -3 1.041186 -1.893471 -2.437400 Rho 0.4312948E+00 3,-3 53 3 -3 -0.583795 -3.386131 -1.310762 Rho 0.4341414E+00 3,-3 54 3 +1 -2.189137 1.243455 1.251214 Rho 0.2880049E-01 |GRAD(Rho)| 0.7921987E-16 GRAD(Rho)x -0.7775431E-16 GRAD(Rho)y 0.1168465E-16 GRAD(Rho)z 0.9670776E-17 Laplacian 0.1103828E+00 (-1/4)Del**2(Rho)) -0.2759570E-01 Diamond 0.1690745E-01 Metallicity 0.1689318E+01 Ellipticity -0.4219429E+01 Gb(Abramov) 0.2616679E-01 Vb(Abramov) -0.2473787E-01 Hb(Abramov) 0.1428913E-02 Ex_ueg -0.6520059E-02 Ec_ueg -0.1281902E-02 Delta_ex -0.7073653E-02 Delta_ec 0.1770920E-02 Delta_et -0.1618879E-01 Pxc 0.5086236E+01 Qxc -0.3994337E+01 3,+1 55 3 -1 -1.750109 -0.610659 -1.746032 Rho 0.6709885E-01 |GRAD(Rho)| 0.1238174E-14 GRAD(Rho)x -0.8808194E-15 GRAD(Rho)y 0.2926516E-15 GRAD(Rho)z -0.8195044E-15 Laplacian 0.2633843E+00 (-1/4)Del**2(Rho)) -0.6584607E-01 Diamond 0.1964242E+00 Metallicity 0.2898779E+01 Ellipticity 0.2898817E-01 Gb(Abramov) 0.7570958E-01 Vb(Abramov) -0.8557309E-01 Hb(Abramov) -0.9863510E-02 Ex_ueg -0.2013748E-01 Ec_ueg -0.3379827E-02 Delta_ex -0.2328512E-01 Delta_ec 0.7687749E-02 Delta_et -0.8728744E-01 Pxc 0.5958141E+01 Qxc -0.3028861E+01 3,-1 56 3 -1 -3.178625 0.018446 -3.148118 Rho 0.2294936E+00 |GRAD(Rho)| 0.1870593E-12 GRAD(Rho)x 0.1446252E-12 GRAD(Rho)y -0.6643893E-13 GRAD(Rho)z 0.9828829E-13 Laplacian 0.8686942E+00 (-1/4)Del**2(Rho)) -0.2171735E+00 Diamond 0.2893123E+01 Metallicity 0.6823867E+01 Ellipticity 0.2622761E-01 Gb(Abramov) 0.3917763E+00 Vb(Abramov) -0.5663790E+00 Hb(Abramov) -0.1746027E+00 Ex_ueg -0.1037718E+00 Ec_ueg -0.1371586E-01 Delta_ex -0.1036369E+00 Delta_ec 0.1926152E-01 Delta_et -0.2655681E+00 Pxc 0.7565822E+01 Qxc -0.5380517E+01 3,-1 57 3 -1 -3.178576 -0.038066 3.222599 Rho 0.2404803E+00 |GRAD(Rho)| 0.4881762E-14 GRAD(Rho)x 0.3617549E-14 GRAD(Rho)y 0.8027975E-15 GRAD(Rho)z -0.3178122E-14 Laplacian 0.8955145E+00 (-1/4)Del**2(Rho)) -0.2238786E+00 Diamond 0.3156216E+01 Metallicity 0.7156043E+01 Ellipticity 0.1193739E-02 Gb(Abramov) 0.4162666E+00 Vb(Abramov) -0.6086546E+00 Hb(Abramov) -0.1923880E+00 Ex_ueg -0.1104480E+00 Ec_ueg -0.1447232E-01 Delta_ex -0.1081542E+00 Delta_ec 0.1959471E-01 Delta_et -0.2706590E+00 Pxc 0.7631669E+01 Qxc -0.5519560E+01 3,-1 58 3 +1 -0.583669 0.466029 -1.652624 Rho 0.9795843E-02 |GRAD(Rho)| 0.1396763E-16 GRAD(Rho)x -0.1047190E-16 GRAD(Rho)y 0.9938740E-19 GRAD(Rho)z -0.9242519E-17 Laplacian 0.4001062E-01 (-1/4)Del**2(Rho)) -0.1000265E-01 Diamond 0.1243634E-02 Metallicity 0.7723976E+00 Ellipticity -0.1418268E+01 Gb(Abramov) 0.7956107E-02 Vb(Abramov) -0.5909560E-02 Hb(Abramov) 0.2046547E-02 Ex_ueg -0.1548011E-02 Ec_ueg -0.3587981E-03 Delta_ex -0.1876119E-02 Delta_ec 0.5392066E-03 Delta_et -0.3828852E-02 Pxc 0.4314435E+01 Qxc -0.3479407E+01 3,+1 59 3 -1 -2.994486 0.888962 2.036969 Rho 0.1452880E+00 |GRAD(Rho)| 0.1363181E-14 GRAD(Rho)x 0.5861739E-15 GRAD(Rho)y -0.1096427E-14 GRAD(Rho)z 0.5590282E-15 Laplacian 0.5755903E+00 (-1/4)Del**2(Rho)) -0.1438976E+00 Diamond 0.1125380E+01 Metallicity 0.4807096E+01 Ellipticity 0.5145320E-01 Gb(Abramov) 0.2112200E+00 Vb(Abramov) -0.2785424E+00 Hb(Abramov) -0.6732239E-01 Ex_ueg -0.5641028E-01 Ec_ueg -0.8142566E-02 Delta_ex -0.6136021E-01 Delta_ec 0.1477204E-01 Delta_et -0.1958719E+00 Pxc 0.6927825E+01 Qxc -0.4153807E+01 3,-1 60 3 +1 -1.735148 0.533267 -0.459302 Rho 0.1007993E-01 |GRAD(Rho)| 0.9785665E-17 GRAD(Rho)x 0.4156558E-18 GRAD(Rho)y 0.5603553E-17 GRAD(Rho)z 0.8011658E-17 Laplacian 0.4047025E-01 (-1/4)Del**2(Rho)) -0.1011756E-01 Diamond 0.1287576E-02 Metallicity 0.8008908E+00 Ellipticity -0.1431116E+01 Gb(Abramov) 0.8095552E-02 Vb(Abramov) -0.6073542E-02 Hb(Abramov) 0.2022010E-02 Ex_ueg -0.1608157E-02 Ec_ueg -0.3716737E-03 Delta_ex -0.1904272E-02 Delta_ec 0.5320788E-03 Delta_et -0.3816187E-02 Pxc 0.4326799E+01 Qxc -0.3578928E+01 3,+1 61 3 +3 -2.399842 0.043707 0.079039 Rho 0.5326549E-02 |GRAD(Rho)| 0.6311594E-17 GRAD(Rho)x 0.2860467E-17 GRAD(Rho)y -0.5212985E-17 GRAD(Rho)z 0.2116302E-17 Laplacian 0.2237185E-01 (-1/4)Del**2(Rho)) -0.5592962E-02 Diamond 0.2483891E-03 Metallicity 0.5004044E+00 Ellipticity -0.3061535E+00 Gb(Abramov) 0.4195099E-02 Vb(Abramov) -0.2797235E-02 Hb(Abramov) 0.1397864E-02 Ex_ueg -0.6870361E-03 Ec_ueg -0.1609925E-03 Delta_ex -0.8532308E-03 Delta_ec 0.2174113E-03 Delta_et -0.1398803E-02 Pxc 0.4267505E+01 Qxc -0.3924501E+01 3,+3 62 3 +1 -1.236646 1.226093 2.202282 Rho 0.2832827E-01 |GRAD(Rho)| 0.5467722E-14 GRAD(Rho)x -0.2245701E-14 GRAD(Rho)y 0.4985256E-14 GRAD(Rho)z 0.6146868E-17 Laplacian 0.1080657E+00 (-1/4)Del**2(Rho)) -0.2701642E-01 Diamond 0.1600120E-01 Metallicity 0.1678645E+01 Ellipticity -0.3884964E+01 Gb(Abramov) 0.2556945E-01 Vb(Abramov) -0.2412247E-01 Hb(Abramov) 0.1446978E-02 Ex_ueg -0.6377912E-02 Ec_ueg -0.1257704E-02 Delta_ex -0.6877779E-02 Delta_ec 0.1704518E-02 Delta_et -0.1552596E-01 Pxc 0.5071074E+01 Qxc -0.4035029E+01 3,+1 63 3 -1 -2.008857 -3.089292 -0.735098 Rho 0.1504516E+00 |GRAD(Rho)| 0.9408809E-15 GRAD(Rho)x 0.9017309E-15 GRAD(Rho)y -0.2524429E-15 GRAD(Rho)z -0.9170995E-16 Laplacian 0.5605138E+00 (-1/4)Del**2(Rho)) -0.1401285E+00 Diamond 0.1169666E+01 Metallicity 0.5232247E+01 Ellipticity 0.1173824E+00 Gb(Abramov) 0.2156168E+00 Vb(Abramov) -0.2911051E+00 Hb(Abramov) -0.7548830E-01 Ex_ueg -0.5909910E-01 Ec_ueg -0.8472430E-02 Delta_ex -0.6053284E-01 Delta_ec 0.1473658E-01 Delta_et -0.1974727E+00 Pxc 0.6975460E+01 Qxc -0.4107658E+01 3,-1 64 3 +1 -0.259506 -0.495063 -3.044128 Rho 0.3853725E-02 |GRAD(Rho)| 0.4945043E-17 GRAD(Rho)x -0.4459910E-17 GRAD(Rho)y -0.1712264E-17 GRAD(Rho)z -0.1277030E-17 Laplacian 0.1506983E-01 (-1/4)Del**2(Rho)) -0.3767458E-02 Diamond 0.2002407E-03 Metallicity 0.4331509E+00 Ellipticity -0.1544894E+01 Gb(Abramov) 0.2783618E-02 Vb(Abramov) -0.1799779E-02 Hb(Abramov) 0.9838397E-03 Ex_ueg -0.4462306E-03 Ec_ueg -0.9792241E-04 Delta_ex -0.6508876E-03 Delta_ec 0.3631812E-03 Delta_et -0.1869577E-02 Pxc 0.4556981E+01 Qxc -0.1792184E+01 3,+1 65 3 -1 -0.232618 -1.314499 -3.376044 Rho 0.5784344E-02 |GRAD(Rho)| 0.9905117E-17 GRAD(Rho)x -0.9790126E-17 GRAD(Rho)y -0.1280608E-18 GRAD(Rho)z -0.1499460E-17 Laplacian 0.2269689E-01 (-1/4)Del**2(Rho)) -0.5674223E-02 Diamond 0.9364653E-03 Metallicity 0.5658964E+00 Ellipticity 0.1030811E+00 Gb(Abramov) 0.4317985E-02 Vb(Abramov) -0.2961748E-02 Hb(Abramov) 0.1356237E-02 Ex_ueg -0.7668737E-03 Ec_ueg -0.1808209E-03 Delta_ex -0.1384707E-02 Delta_ec 0.1114114E-02 Delta_et -0.6162377E-02 Pxc 0.4241068E+01 Qxc -0.1242877E+01 3,-1 66 3 +1 -0.337236 -1.085440 -2.594130 Rho 0.3958065E-02 |GRAD(Rho)| 0.5837426E-17 GRAD(Rho)x 0.3587635E-17 GRAD(Rho)y -0.6824968E-18 GRAD(Rho)z -0.4553967E-17 Laplacian 0.1573951E-01 (-1/4)Del**2(Rho)) -0.3934877E-02 Diamond 0.1824629E-03 Metallicity 0.4336042E+00 Ellipticity -0.1316734E+01 Gb(Abramov) 0.2907615E-02 Vb(Abramov) -0.1880352E-02 Hb(Abramov) 0.1027263E-02 Ex_ueg -0.4624118E-03 Ec_ueg -0.1023534E-03 Delta_ex -0.6399922E-03 Delta_ec 0.3016128E-03 Delta_et -0.1606685E-02 Pxc 0.4517797E+01 Qxc -0.2121900E+01 3,+1 67 3 +3 1.087786 1.082645 1.031915 Rho 0.4615996E-02 |GRAD(Rho)| 0.3212184E-16 GRAD(Rho)x 0.2786298E-16 GRAD(Rho)y -0.8195014E-17 GRAD(Rho)z 0.1372257E-16 Laplacian 0.1822553E-01 (-1/4)Del**2(Rho)) -0.4556381E-02 Diamond 0.1184702E-03 Metallicity 0.4838479E+00 Ellipticity -0.1528770E+00 Gb(Abramov) 0.3405020E-02 Vb(Abramov) -0.2253659E-02 Hb(Abramov) 0.1151361E-02 Ex_ueg -0.5676391E-03 Ec_ueg -0.1304252E-03 Delta_ex -0.6204269E-03 Delta_ec 0.8836682E-04 Delta_et -0.6663952E-03 Pxc 0.4352221E+01 Qxc -0.7021039E+01 3,+3 68 3 +3 -1.134724 -1.075495 1.140510 Rho 0.5235076E-02 |GRAD(Rho)| 0.7108957E-17 GRAD(Rho)x 0.1274560E-17 GRAD(Rho)y -0.6891778E-17 GRAD(Rho)z 0.1190028E-17 Laplacian 0.2076918E-01 (-1/4)Del**2(Rho)) -0.5192295E-02 Diamond 0.1512731E-03 Metallicity 0.5236794E+00 Ellipticity -0.1186326E+00 Gb(Abramov) 0.3914713E-02 Vb(Abramov) -0.2637131E-02 Hb(Abramov) 0.1277582E-02 Ex_ueg -0.6713501E-03 Ec_ueg -0.1570431E-03 Delta_ex -0.7239992E-03 Delta_ec 0.8651392E-04 Delta_et -0.7045813E-03 Pxc 0.4274943E+01 Qxc -0.8368586E+01 3,+3 69 3 +1 -0.547344 -0.523297 1.686232 Rho 0.8746691E-02 |GRAD(Rho)| 0.7062359E-17 GRAD(Rho)x 0.4505279E-17 GRAD(Rho)y -0.3107076E-17 GRAD(Rho)z -0.4463794E-17 Laplacian 0.3493944E-01 (-1/4)Del**2(Rho)) -0.8734860E-02 Diamond 0.9189735E-03 Metallicity 0.7323245E+00 Ellipticity -0.1384890E+01 Gb(Abramov) 0.6889366E-02 Vb(Abramov) -0.5043871E-02 Hb(Abramov) 0.1845495E-02 Ex_ueg -0.1330996E-02 Ec_ueg -0.3115483E-03 Delta_ex -0.1586347E-02 Delta_ec 0.4618791E-03 Delta_et -0.3194738E-02 Pxc 0.4272199E+01 Qxc -0.3434549E+01 3,+1 70 3 -1 -0.031425 0.023972 2.924377 Rho 0.6003125E-02 |GRAD(Rho)| 0.7249992E-17 GRAD(Rho)x 0.4452650E-17 GRAD(Rho)y 0.5652012E-17 GRAD(Rho)z -0.8894086E-18 Laplacian 0.2432345E-01 (-1/4)Del**2(Rho)) -0.6080862E-02 Diamond 0.8327816E-03 Metallicity 0.5617593E+00 Ellipticity 0.2536446E+01 Gb(Abramov) 0.4623238E-02 Vb(Abramov) -0.3165614E-02 Hb(Abramov) 0.1457624E-02 Ex_ueg -0.8057894E-03 Ec_ueg -0.1903335E-03 Delta_ex -0.1331523E-02 Delta_ec 0.9054616E-03 Delta_et -0.5139415E-02 Pxc 0.4233565E+01 Qxc -0.1470546E+01 3,-1 71 3 +1 0.246383 -1.521656 -1.670618 Rho 0.5773953E-02 |GRAD(Rho)| 0.1678147E-15 GRAD(Rho)x 0.1019444E-15 GRAD(Rho)y -0.1308156E-15 GRAD(Rho)z 0.2562042E-16 Laplacian 0.2245714E-01 (-1/4)Del**2(Rho)) -0.5614286E-02 Diamond 0.5469597E-03 Metallicity 0.5702265E+00 Ellipticity -0.2198979E+01 Gb(Abramov) 0.4276426E-02 Vb(Abramov) -0.2938567E-02 Hb(Abramov) 0.1337860E-02 Ex_ueg -0.7650375E-03 Ec_ueg -0.1803697E-03 Delta_ex -0.1080436E-02 Delta_ec 0.5859385E-03 Delta_et -0.3370573E-02 Pxc 0.4241496E+01 Qxc -0.1843941E+01 3,+1 72 3 +1 -1.739102 -0.464070 0.570247 Rho 0.9687944E-02 |GRAD(Rho)| 0.1470162E-16 GRAD(Rho)x -0.8980690E-17 GRAD(Rho)y -0.1140560E-16 GRAD(Rho)z -0.2323176E-17 Laplacian 0.3929152E-01 (-1/4)Del**2(Rho)) -0.9822879E-02 Diamond 0.1184445E-02 Metallicity 0.7721477E+00 Ellipticity -0.1404832E+01 Gb(Abramov) 0.7812705E-02 Vb(Abramov) -0.5802531E-02 Hb(Abramov) 0.2010174E-02 Ex_ueg -0.1525318E-02 Ec_ueg -0.3539169E-03 Delta_ex -0.1830037E-02 Delta_ec 0.5168213E-03 Delta_et -0.3670015E-02 Pxc 0.4309821E+01 Qxc -0.3540947E+01 3,+1 73 3 +1 1.643410 -0.540814 -0.531986 Rho 0.8632793E-02 |GRAD(Rho)| 0.1236251E-16 GRAD(Rho)x 0.5106605E-17 GRAD(Rho)y -0.8540057E-17 GRAD(Rho)z 0.7336334E-17 Laplacian 0.3463078E-01 (-1/4)Del**2(Rho)) -0.8657695E-02 Diamond 0.8958488E-03 Metallicity 0.7228859E+00 Ellipticity -0.1377196E+01 Gb(Abramov) 0.6814885E-02 Vb(Abramov) -0.4972074E-02 Hb(Abramov) 0.1842811E-02 Ex_ueg -0.1307937E-02 Ec_ueg -0.3064476E-03 Delta_ex -0.1567574E-02 Delta_ec 0.4587090E-03 Delta_et -0.3161536E-02 Pxc 0.4268061E+01 Qxc -0.3417361E+01 3,+1 74 3 +1 0.491220 0.464820 1.651404 Rho 0.8791934E-02 |GRAD(Rho)| 0.2959991E-17 GRAD(Rho)x 0.1279656E-17 GRAD(Rho)y -0.2391112E-17 GRAD(Rho)z -0.1186007E-17 Laplacian 0.3567634E-01 (-1/4)Del**2(Rho)) -0.8919086E-02 Diamond 0.9670519E-03 Metallicity 0.7233917E+00 Ellipticity -0.1394705E+01 Gb(Abramov) 0.7021390E-02 Vb(Abramov) -0.5123693E-02 Hb(Abramov) 0.1897697E-02 Ex_ueg -0.1340184E-02 Ec_ueg -0.3135759E-03 Delta_ex -0.1631602E-02 Delta_ec 0.4888584E-03 Delta_et -0.3370952E-02 Pxc 0.4273873E+01 Qxc -0.3337576E+01 3,+1 75 3 +1 -2.785504 -0.215627 -0.204120 Rho 0.5661902E-02 |GRAD(Rho)| 0.2757916E-17 GRAD(Rho)x -0.4916563E-18 GRAD(Rho)y 0.2443809E-17 GRAD(Rho)z -0.1179904E-17 Laplacian 0.2341481E-01 (-1/4)Del**2(Rho)) -0.5853702E-02 Diamond 0.4562775E-03 Metallicity 0.5293299E+00 Ellipticity -0.1278922E+01 Gb(Abramov) 0.4418892E-02 Vb(Abramov) -0.2984081E-02 Hb(Abramov) 0.1434811E-02 Ex_ueg -0.7453064E-03 Ec_ueg -0.1755074E-03 Delta_ex -0.1043901E-02 Delta_ec 0.4716642E-03 Delta_et -0.2764563E-02 Pxc 0.4246581E+01 Qxc -0.2213229E+01 3,+1 76 3 +3 2.273268 0.009046 0.021145 Rho 0.4513104E-02 |GRAD(Rho)| 0.6186144E-15 GRAD(Rho)x -0.1390437E-15 GRAD(Rho)y -0.5951669E-15 GRAD(Rho)z 0.9553552E-16 Laplacian 0.1868656E-01 (-1/4)Del**2(Rho)) -0.4671640E-02 Diamond 0.1513195E-03 Metallicity 0.4545093E+00 Ellipticity -0.2765211E+00 Gb(Abramov) 0.3468311E-02 Vb(Abramov) -0.2264981E-02 Hb(Abramov) 0.1203329E-02 Ex_ueg -0.5508317E-03 Ec_ueg -0.1260202E-03 Delta_ex -0.6679043E-03 Delta_ec 0.1543386E-03 Delta_et -0.9900212E-03 Pxc 0.4370978E+01 Qxc -0.4327526E+01 3,+3 77 3 -1 0.186397 -1.182197 -1.879788 Rho 0.5996992E-02 |GRAD(Rho)| 0.5859176E-17 GRAD(Rho)x 0.3678982E-17 GRAD(Rho)y -0.3925786E-17 GRAD(Rho)z -0.2320182E-17 Laplacian 0.2356747E-01 (-1/4)Del**2(Rho)) -0.5891867E-02 Diamond 0.8196854E-03 Metallicity 0.5787923E+00 Ellipticity 0.7494123E+00 Gb(Abramov) 0.4496272E-02 Vb(Abramov) -0.3100678E-02 Hb(Abramov) 0.1395594E-02 Ex_ueg -0.8046920E-03 Ec_ueg -0.1900666E-03 Delta_ex -0.1300018E-02 Delta_ec 0.8953963E-03 Delta_et -0.5074673E-02 Pxc 0.4233738E+01 Qxc -0.1451891E+01 3,-1 78 3 +1 0.383512 -0.790736 -1.773958 Rho 0.5641066E-02 |GRAD(Rho)| 0.6054964E-17 GRAD(Rho)x 0.4313403E-17 GRAD(Rho)y 0.3186538E-17 GRAD(Rho)z 0.2811249E-17 Laplacian 0.2221894E-01 (-1/4)Del**2(Rho)) -0.5554735E-02 Diamond 0.4745473E-03 Metallicity 0.5544024E+00 Ellipticity -0.1748954E+01 Gb(Abramov) 0.4216417E-02 Vb(Abramov) -0.2878098E-02 Hb(Abramov) 0.1338319E-02 Ex_ueg -0.7416517E-03 Ec_ueg -0.1746040E-03 Delta_ex -0.1024334E-02 Delta_ec 0.5092926E-03 Delta_et -0.2943593E-02 Pxc 0.4247622E+01 Qxc -0.2011287E+01 3,+1 79 3 +3 0.893674 -1.135904 -1.233695 Rho 0.4360683E-02 |GRAD(Rho)| 0.2056875E-13 GRAD(Rho)x -0.2053358E-13 GRAD(Rho)y 0.4683831E-16 GRAD(Rho)z -0.1201377E-14 Laplacian 0.1689816E-01 (-1/4)Del**2(Rho)) -0.4224540E-02 Diamond 0.1262109E-03 Metallicity 0.4746403E+00 Ellipticity -0.5328611E+00 Gb(Abramov) 0.3150549E-02 Vb(Abramov) -0.2076559E-02 Hb(Abramov) 0.1073990E-02 Ex_ueg -0.5261679E-03 Ec_ueg -0.1195050E-03 Delta_ex -0.5937494E-03 Delta_ec 0.1308380E-03 Delta_et -0.8462267E-03 Pxc 0.4402896E+01 Qxc -0.4538051E+01 3,+3 80 3 -1 0.032275 -1.978843 -1.039789 Rho 0.7870526E-02 |GRAD(Rho)| 0.1293423E-16 GRAD(Rho)x -0.7180298E-17 GRAD(Rho)y 0.9759514E-17 GRAD(Rho)z 0.4526544E-17 Laplacian 0.3004648E-01 (-1/4)Del**2(Rho)) -0.7511621E-02 Diamond 0.1445697E-02 Metallicity 0.7142097E+00 Ellipticity 0.6715239E+00 Gb(Abramov) 0.5901893E-02 Vb(Abramov) -0.4292164E-02 Hb(Abramov) 0.1609728E-02 Ex_ueg -0.1156263E-02 Ec_ueg -0.2724606E-03 Delta_ex -0.1714045E-02 Delta_ec 0.1086509E-02 Delta_et -0.6705350E-02 Pxc 0.4243782E+01 Qxc -0.1577570E+01 3,-1 81 3 +1 0.172219 -0.182360 2.925313 Rho 0.5924992E-02 |GRAD(Rho)| 0.3781972E-17 GRAD(Rho)x 0.1956239E-17 GRAD(Rho)y -0.2806862E-17 GRAD(Rho)z 0.1611822E-17 Laplacian 0.2476406E-01 (-1/4)Del**2(Rho)) -0.6191015E-02 Diamond 0.6652604E-03 Metallicity 0.5398473E+00 Ellipticity -0.2352913E+01 Gb(Abramov) 0.4684377E-02 Vb(Abramov) -0.3177739E-02 Hb(Abramov) 0.1506638E-02 Ex_ueg -0.7918364E-03 Ec_ueg -0.1869336E-03 Delta_ex -0.1228077E-02 Delta_ec 0.7000102E-03 Delta_et -0.4031634E-02 Pxc 0.4235923E+01 Qxc -0.1754371E+01 3,+1 82 3 +3 -0.003657 -0.029928 2.284686 Rho 0.4961410E-02 |GRAD(Rho)| 0.3875094E-16 GRAD(Rho)x 0.2227877E-16 GRAD(Rho)y -0.1842661E-16 GRAD(Rho)z -0.2580216E-16 Laplacian 0.2064608E-01 (-1/4)Del**2(Rho)) -0.5161520E-02 Diamond 0.1874880E-03 Metallicity 0.4817083E+00 Ellipticity -0.2606245E+00 Gb(Abramov) 0.3855405E-02 Vb(Abramov) -0.2549289E-02 Hb(Abramov) 0.1306116E-02 Ex_ueg -0.6249691E-03 Ec_ueg -0.1452525E-03 Delta_ex -0.7538366E-03 Delta_ec 0.1660444E-03 Delta_et -0.1095547E-02 Pxc 0.4302639E+01 Qxc -0.4539969E+01 3,+3 83 3 +1 0.319752 -1.751207 -0.688051 Rho 0.7204034E-02 |GRAD(Rho)| 0.7757445E-17 GRAD(Rho)x 0.6201128E-17 GRAD(Rho)y 0.3154351E-17 GRAD(Rho)z -0.3431330E-17 Laplacian 0.2780033E-01 (-1/4)Del**2(Rho)) -0.6950082E-02 Diamond 0.7457815E-03 Metallicity 0.6660745E+00 Ellipticity -0.1751870E+01 Gb(Abramov) 0.5404934E-02 Vb(Abramov) -0.3859785E-02 Hb(Abramov) 0.1545149E-02 Ex_ueg -0.1027589E-02 Ec_ueg -0.2429605E-03 Delta_ex -0.1306762E-02 Delta_ec 0.5554124E-03 Delta_et -0.3486396E-02 Pxc 0.4229448E+01 Qxc -0.2352777E+01 3,+1 84 3 -1 0.313770 -0.430017 0.358561 Rho 0.1370789E+00 |GRAD(Rho)| 0.9684821E-14 GRAD(Rho)x -0.5736968E-14 GRAD(Rho)y 0.5498777E-14 GRAD(Rho)z -0.5535920E-14 Laplacian 0.7161314E+00 (-1/4)Del**2(Rho)) -0.1790328E+00 Diamond 0.1576076E+01 Metallicity 0.3506751E+01 Ellipticity 0.1839205E-02 Gb(Abramov) 0.2239925E+00 Vb(Abramov) -0.2689522E+00 Hb(Abramov) -0.4495966E-01 Ex_ueg -0.5220106E-01 Ec_ueg -0.7621582E-02 Delta_ex -0.7830557E-01 Delta_ec 0.2406409E-01 Delta_et -0.3272190E+00 Pxc 0.6849111E+01 Qxc -0.3254042E+01 3,-1 85 3 -1 1.099496 -2.271101 -2.014360 Rho 0.4466827E-01 |GRAD(Rho)| 0.8999234E-16 GRAD(Rho)x -0.8843193E-17 GRAD(Rho)y 0.5429682E-16 GRAD(Rho)z -0.7121990E-16 Laplacian 0.1239831E+00 (-1/4)Del**2(Rho)) -0.3099578E-01 Diamond 0.8238385E-01 Metallicity 0.3125473E+01 Ellipticity 0.1644875E-01 Gb(Abramov) 0.3680993E-01 Vb(Abramov) -0.4262408E-01 Hb(Abramov) -0.5814153E-02 Ex_ueg -0.1170533E-01 Ec_ueg -0.2122347E-02 Delta_ex -0.1134677E-01 Delta_ec 0.6243121E-02 Delta_et -0.6439904E-01 Pxc 0.5515279E+01 Qxc -0.1817484E+01 3,-1 86 3 +1 1.199039 -2.199879 1.165792 Rho 0.2926313E-01 |GRAD(Rho)| 0.1019579E-13 GRAD(Rho)x 0.5311957E-14 GRAD(Rho)y -0.8538268E-14 GRAD(Rho)z -0.1683797E-14 Laplacian 0.1143865E+00 (-1/4)Del**2(Rho)) -0.2859663E-01 Diamond 0.1834054E-01 Metallicity 0.1674068E+01 Ellipticity -0.4662024E+01 Gb(Abramov) 0.2704320E-01 Vb(Abramov) -0.2548977E-01 Hb(Abramov) 0.1553428E-02 Ex_ueg -0.6660080E-02 Ec_ueg -0.1305662E-02 Delta_ex -0.7399925E-02 Delta_ec 0.1902791E-02 Delta_et -0.1745101E-01 Pxc 0.5100924E+01 Qxc -0.3888984E+01 3,+1 87 3 +3 -0.130844 -2.367040 -0.117163 Rho 0.4262155E-02 |GRAD(Rho)| 0.1037649E-16 GRAD(Rho)x 0.8267042E-18 GRAD(Rho)y 0.6152847E-17 GRAD(Rho)z -0.8314475E-17 Laplacian 0.1742333E-01 (-1/4)Del**2(Rho)) -0.4355833E-02 Diamond 0.1350685E-03 Metallicity 0.4431295E+00 Ellipticity -0.2225199E+00 Gb(Abramov) 0.3225588E-02 Vb(Abramov) -0.2095344E-02 Hb(Abramov) 0.1130245E-02 Ex_ueg -0.5103765E-03 Ec_ueg -0.1152998E-03 Delta_ex -0.6188135E-03 Delta_ec 0.1531872E-03 Delta_et -0.9551240E-03 Pxc 0.4426516E+01 Qxc -0.4039590E+01 3,+3 88 3 -1 0.828884 -1.966366 2.998610 Rho 0.1405270E+00 |GRAD(Rho)| 0.4728324E-15 GRAD(Rho)x 0.3433126E-15 GRAD(Rho)y 0.3246372E-15 GRAD(Rho)z 0.1782157E-16 Laplacian 0.5596779E+00 (-1/4)Del**2(Rho)) -0.1399195E+00 Diamond 0.1052883E+01 Metallicity 0.4676717E+01 Ellipticity 0.4096250E-01 Gb(Abramov) 0.2023403E+00 Vb(Abramov) -0.2647611E+00 Hb(Abramov) -0.6242081E-01 Ex_ueg -0.5395909E-01 Ec_ueg -0.7839889E-02 Delta_ex -0.5919750E-01 Delta_ec 0.1451117E-01 Delta_et -0.1915282E+00 Pxc 0.6882635E+01 Qxc -0.4079442E+01 3,-1 89 3 -1 0.481393 -1.723072 1.689854 Rho 0.5261226E-01 |GRAD(Rho)| 0.3128542E-15 GRAD(Rho)x 0.9171821E-16 GRAD(Rho)y 0.2028017E-15 GRAD(Rho)z -0.2198567E-15 Laplacian 0.2011750E+00 (-1/4)Del**2(Rho)) -0.5029375E-01 Diamond 0.1063588E+00 Metallicity 0.2530370E+01 Ellipticity 0.8760850E-02 Gb(Abramov) 0.5473947E-01 Vb(Abramov) -0.5918518E-01 Hb(Abramov) -0.4445716E-02 Ex_ueg -0.1456021E-01 Ec_ueg -0.2559771E-02 Delta_ex -0.1665521E-01 Delta_ec 0.5781050E-02 Delta_et -0.6170321E-01 Pxc 0.5688092E+01 Qxc -0.2881000E+01 3,-1 90 3 -1 1.102173 -1.737719 -2.587153 Rho 0.3092819E+00 |GRAD(Rho)| 0.1852005E-12 GRAD(Rho)x 0.9576120E-13 GRAD(Rho)y 0.1393941E-12 GRAD(Rho)z 0.7548719E-13 Laplacian -0.1555599E+01 (-1/4)Del**2(Rho)) 0.3888998E+00 Diamond 0.5306522E+01 Metallicity -0.6265748E+01 Ellipticity 0.3373350E-02 Gb(Abramov) 0.1468582E+00 Vb(Abramov) -0.6826161E+00 Hb(Abramov) -0.5357579E+00 Ex_ueg -0.1544748E+00 Ec_ueg -0.1936002E-01 Delta_ex 0.1525164E+00 Delta_ec 0.5487293E-01 Delta_et -0.1282312E+01 Pxc 0.7979063E+01 Qxc 0.2779446E+01 3,-1 91 3 -1 2.946305 -0.009557 0.039817 Rho 0.5591288E-02 |GRAD(Rho)| 0.3281477E-17 GRAD(Rho)x -0.8189022E-18 GRAD(Rho)y 0.2683056E-17 GRAD(Rho)z -0.1702558E-17 Laplacian 0.2267919E-01 (-1/4)Del**2(Rho)) -0.5669797E-02 Diamond 0.7147562E-03 Metallicity 0.5351869E+00 Ellipticity 0.3521993E+01 Gb(Abramov) 0.4285598E-02 Vb(Abramov) -0.2901399E-02 Hb(Abramov) 0.1384199E-02 Ex_ueg -0.7329386E-03 Ec_ueg -0.1724464E-03 Delta_ex -0.1232452E-02 Delta_ec 0.8571198E-03 Delta_et -0.4756596E-02 Pxc 0.4250239E+01 Qxc -0.1437900E+01 3,-1 92 3 +1 1.235665 -1.179336 2.150768 Rho 0.2705130E-01 |GRAD(Rho)| 0.6505827E-16 GRAD(Rho)x 0.2976336E-16 GRAD(Rho)y 0.8106960E-17 GRAD(Rho)z 0.5728000E-16 Laplacian 0.1017437E+00 (-1/4)Del**2(Rho)) -0.2543593E-01 Diamond 0.1396519E-01 Metallicity 0.1651021E+01 Ellipticity -0.3574812E+01 Gb(Abramov) 0.2395649E-01 Vb(Abramov) -0.2247706E-01 Hb(Abramov) 0.1479435E-02 Ex_ueg -0.5997487E-02 Ec_ueg -0.1192539E-02 Delta_ex -0.6378071E-02 Delta_ec 0.1574966E-02 Delta_et -0.1419785E-01 Pxc 0.5029177E+01 Qxc -0.4049655E+01 3,+1 93 3 -1 1.609293 -1.754018 0.460452 Rho 0.5165153E-01 |GRAD(Rho)| 0.4531092E-16 GRAD(Rho)x 0.4098200E-16 GRAD(Rho)y 0.1875289E-16 GRAD(Rho)z -0.4678163E-17 Laplacian 0.1954729E+00 (-1/4)Del**2(Rho)) -0.4886823E-01 Diamond 0.1012269E+00 Metallicity 0.2525410E+01 Ellipticity 0.7392959E-02 Gb(Abramov) 0.5314753E-01 Vb(Abramov) -0.5742684E-01 Hb(Abramov) -0.4279309E-02 Ex_ueg -0.1420679E-01 Ec_ueg -0.2506366E-02 Delta_ex -0.1612565E-01 Delta_ec 0.5650506E-02 Delta_et -0.6003592E-01 Pxc 0.5668283E+01 Qxc -0.2853843E+01 3,-1 94 3 +1 1.821656 -1.765676 -1.742971 Rho 0.1394014E-01 |GRAD(Rho)| 0.4294548E-15 GRAD(Rho)x -0.2974663E-16 GRAD(Rho)y -0.3162221E-15 GRAD(Rho)z 0.2890505E-15 Laplacian 0.6590832E-01 (-1/4)Del**2(Rho)) -0.1647708E-01 Diamond 0.3224723E-02 Metallicity 0.8442117E+00 Ellipticity -0.1368875E+01 Gb(Abramov) 0.1330308E-01 Vb(Abramov) -0.1012908E-01 Hb(Abramov) 0.3174003E-02 Ex_ueg -0.2477847E-02 Ec_ueg -0.5498573E-03 Delta_ex -0.3366453E-02 Delta_ec 0.8472146E-03 Delta_et -0.6593856E-02 Pxc 0.4506346E+01 Qxc -0.3973554E+01 3,+1 95 3 +1 2.112869 -1.335549 1.110039 Rho 0.2728541E-01 |GRAD(Rho)| 0.3074197E-15 GRAD(Rho)x 0.1999759E-15 GRAD(Rho)y -0.2043507E-15 GRAD(Rho)z -0.1129482E-15 Laplacian 0.1052871E+00 (-1/4)Del**2(Rho)) -0.2632177E-01 Diamond 0.1512607E-01 Metallicity 0.1618535E+01 Ellipticity -0.3889285E+01 Gb(Abramov) 0.2464830E-01 Vb(Abramov) -0.2297483E-01 Hb(Abramov) 0.1673471E-02 Ex_ueg -0.6066791E-02 Ec_ueg -0.1204455E-02 Delta_ex -0.6664169E-02 Delta_ec 0.1716373E-02 Delta_et -0.1548776E-01 Pxc 0.5036958E+01 Qxc -0.3882703E+01 3,+1 96 3 -1 1.958777 -0.871190 2.986491 Rho 0.1423025E+00 |GRAD(Rho)| 0.2519729E-15 GRAD(Rho)x -0.1004649E-15 GRAD(Rho)y -0.1562471E-15 GRAD(Rho)z 0.1702468E-15 Laplacian 0.5600950E+00 (-1/4)Del**2(Rho)) -0.1400238E+00 Diamond 0.1073955E+01 Metallicity 0.4772060E+01 Ellipticity 0.3343785E-01 Gb(Abramov) 0.2047161E+00 Vb(Abramov) -0.2694085E+00 Hb(Abramov) -0.6469237E-01 Ex_ueg -0.5487004E-01 Ec_ueg -0.7952601E-02 Delta_ex -0.5946877E-01 Delta_ec 0.1455919E-01 Delta_et -0.1926981E+00 Pxc 0.6899634E+01 Qxc -0.4084621E+01 3,-1 97 3 -1 3.017815 0.861450 -1.953806 Rho 0.1377473E+00 |GRAD(Rho)| 0.3439412E-15 GRAD(Rho)x -0.2072520E-15 GRAD(Rho)y -0.2446638E-15 GRAD(Rho)z -0.1244258E-15 Laplacian 0.5568364E+00 (-1/4)Del**2(Rho)) -0.1392091E+00 Diamond 0.1023253E+01 Metallicity 0.4546644E+01 Ellipticity 0.3655135E-01 Gb(Abramov) 0.1982951E+00 Vb(Abramov) -0.2573811E+00 Hb(Abramov) -0.5908600E-01 Ex_ueg -0.5254072E-01 Ec_ueg -0.7663842E-02 Delta_ex -0.5861787E-01 Delta_ec 0.1451874E-01 Delta_et -0.1910660E+00 Pxc 0.6855663E+01 Qxc -0.4037394E+01 3,-1 98 3 +1 2.945758 0.182797 -0.149693 Rho 0.5538195E-02 |GRAD(Rho)| 0.1723570E-16 GRAD(Rho)x 0.2813960E-17 GRAD(Rho)y 0.1095942E-16 GRAD(Rho)z -0.1300162E-16 Laplacian 0.2326034E-01 (-1/4)Del**2(Rho)) -0.5815084E-02 Diamond 0.6039717E-03 Metallicity 0.5135833E+00 Ellipticity -0.2621267E+01 Gb(Abramov) 0.4374478E-02 Vb(Abramov) -0.2933871E-02 Hb(Abramov) 0.1440606E-02 Ex_ueg -0.7236736E-03 Ec_ueg -0.1701466E-03 Delta_ex -0.1164788E-02 Delta_ec 0.7058332E-03 Delta_et -0.3963275E-02 Pxc 0.4253237E+01 Qxc -0.1650232E+01 3,+1 99 3 +1 2.136834 1.327880 -1.085648 Rho 0.2483985E-01 |GRAD(Rho)| 0.6786001E-16 GRAD(Rho)x -0.6302232E-16 GRAD(Rho)y -0.2195568E-16 GRAD(Rho)z 0.1229292E-16 Laplacian 0.9463886E-01 (-1/4)Del**2(Rho)) -0.2365972E-01 Diamond 0.1184404E-01 Metallicity 0.1539780E+01 Ellipticity -0.3407312E+01 Gb(Abramov) 0.2184494E-01 Vb(Abramov) -0.2003016E-01 Hb(Abramov) 0.1814780E-02 Ex_ueg -0.5352833E-02 Ec_ueg -0.1080654E-02 Delta_ex -0.5829416E-02 Delta_ec 0.1522899E-02 Delta_et -0.1344143E-01 Pxc 0.4953326E+01 Qxc -0.3827840E+01 3,+1 100 3 -1 2.994628 1.993480 -0.816106 Rho 0.1344036E+00 |GRAD(Rho)| 0.7641123E-14 GRAD(Rho)x -0.2966946E-14 GRAD(Rho)y 0.4554930E-14 GRAD(Rho)z 0.5369972E-14 Laplacian 0.5283867E+00 (-1/4)Del**2(Rho)) -0.1320967E+00 Diamond 0.9342078E+00 Metallicity 0.4599168E+01 Ellipticity 0.4221534E-01 Gb(Abramov) 0.1893203E+00 Vb(Abramov) -0.2465439E+00 Hb(Abramov) -0.5722358E-01 Ex_ueg -0.5084710E-01 Ec_ueg -0.7452723E-02 Delta_ex -0.5519458E-01 Delta_ec 0.1368342E-01 Delta_et -0.1790398E+00 Pxc 0.6822620E+01 Qxc -0.4033683E+01 3,-1 101 3 +1 1.663151 0.501430 0.508786 Rho 0.7623016E-02 |GRAD(Rho)| 0.2266211E-14 GRAD(Rho)x 0.1327786E-14 GRAD(Rho)y -0.2975775E-15 GRAD(Rho)z 0.1812220E-14 Laplacian 0.2991480E-01 (-1/4)Del**2(Rho)) -0.7478701E-02 Diamond 0.6809261E-03 Metallicity 0.6801505E+00 Ellipticity -0.1395648E+01 Gb(Abramov) 0.5833575E-02 Vb(Abramov) -0.4188448E-02 Hb(Abramov) 0.1645127E-02 Ex_ueg -0.1108037E-02 Ec_ueg -0.2614815E-03 Delta_ex -0.1326607E-02 Delta_ec 0.4224619E-03 Delta_et -0.2797738E-02 Pxc 0.4237535E+01 Qxc -0.3140181E+01 3,+1 102 3 -1 -3.042676 -2.003366 -0.879999 Rho 0.1561557E+00 |GRAD(Rho)| 0.8022605E-14 GRAD(Rho)x 0.3237807E-14 GRAD(Rho)y -0.4263002E-14 GRAD(Rho)z 0.5975418E-14 Laplacian 0.6099486E+00 (-1/4)Del**2(Rho)) -0.1524871E+00 Diamond 0.1307354E+01 Metallicity 0.5115835E+01 Ellipticity 0.7365374E-01 Gb(Abramov) 0.2316746E+00 Vb(Abramov) -0.3108620E+00 Hb(Abramov) -0.7918745E-01 Ex_ueg -0.6210534E-01 Ec_ueg -0.8838727E-02 Delta_ex -0.6625081E-01 Delta_ec 0.1549164E-01 Delta_et -0.2077692E+00 Pxc 0.7026503E+01 Qxc -0.4276553E+01 3,-1 103 3 -1 -2.800438 -1.759256 0.575736 Rho 0.1343779E+00 |GRAD(Rho)| 0.9008741E-15 GRAD(Rho)x 0.8764419E-16 GRAD(Rho)y -0.6892951E-15 GRAD(Rho)z -0.5733803E-15 Laplacian 0.5630047E+00 (-1/4)Del**2(Rho)) -0.1407512E+00 Diamond 0.1004984E+01 Metallicity 0.4315000E+01 Ellipticity 0.9311405E-02 Gb(Abramov) 0.1950577E+00 Vb(Abramov) -0.2493642E+00 Hb(Abramov) -0.5430650E-01 Ex_ueg -0.5083414E-01 Ec_ueg -0.7451104E-02 Delta_ex -0.5892103E-01 Delta_ec 0.1478239E-01 Delta_et -0.1938115E+00 Pxc 0.6822363E+01 Qxc -0.3985893E+01 3,-1 104 3 -1 -2.737296 0.458714 -1.816515 Rho 0.6856149E-01 |GRAD(Rho)| 0.2708615E-12 GRAD(Rho)x -0.1203662E-12 GRAD(Rho)y -0.4113129E-13 GRAD(Rho)z -0.2391362E-12 Laplacian 0.2849770E+00 (-1/4)Del**2(Rho)) -0.7124425E-01 Diamond 0.2237991E+00 Metallicity 0.2777178E+01 Ellipticity 0.8869233E-02 Gb(Abramov) 0.8047249E-01 Vb(Abramov) -0.8970074E-01 Hb(Abramov) -0.9228244E-02 Ex_ueg -0.2072488E-01 Ec_ueg -0.3464033E-02 Delta_ex -0.2547470E-01 Delta_ec 0.8566449E-02 Delta_et -0.9793470E-01 Pxc 0.5982876E+01 Qxc -0.2973776E+01 3,-1 105 3 +1 -2.277939 -1.230103 -1.271378 Rho 0.3292770E-01 |GRAD(Rho)| 0.8228543E-14 GRAD(Rho)x -0.5038267E-14 GRAD(Rho)y 0.5994243E-15 GRAD(Rho)z -0.6478077E-14 Laplacian 0.1332127E+00 (-1/4)Del**2(Rho)) -0.3330318E-01 Diamond 0.2431647E-01 Metallicity 0.1749860E+01 Ellipticity -0.4066799E+01 Gb(Abramov) 0.3191477E-01 Vb(Abramov) -0.3052636E-01 Hb(Abramov) 0.1388411E-02 Ex_ueg -0.7794717E-02 Ec_ueg -0.1495587E-02 Delta_ex -0.8836825E-02 Delta_ec 0.2106168E-02 Delta_et -0.1985513E-01 Pxc 0.5211811E+01 Qxc -0.4195688E+01 3,+1 106 3 -1 -1.811611 -1.675641 -0.518749 Rho 0.6318937E-01 |GRAD(Rho)| 0.2265812E-15 GRAD(Rho)x -0.1709744E-15 GRAD(Rho)y -0.1310648E-15 GRAD(Rho)z 0.7020548E-16 Laplacian 0.2456142E+00 (-1/4)Del**2(Rho)) -0.6140354E-01 Diamond 0.1674593E+00 Metallicity 0.2812547E+01 Ellipticity 0.1317709E-01 Gb(Abramov) 0.6971908E-01 Vb(Abramov) -0.7803463E-01 Hb(Abramov) -0.8315544E-02 Ex_ueg -0.1858847E-01 Ec_ueg -0.3155953E-02 Delta_ex -0.2133841E-01 Delta_ec 0.7096306E-02 Delta_et -0.7934389E-01 Pxc 0.5889971E+01 Qxc -0.3006974E+01 3,-1 107 3 +3 -1.147803 1.088419 -1.099351 Rho 0.5374706E-02 |GRAD(Rho)| 0.3242937E-11 GRAD(Rho)x -0.8828876E-14 GRAD(Rho)y -0.2286116E-13 GRAD(Rho)z 0.3242844E-11 Laplacian 0.2119266E-01 (-1/4)Del**2(Rho)) -0.5298165E-02 Diamond 0.1565217E-03 Metallicity 0.5362314E+00 Ellipticity -0.2173325E+00 Gb(Abramov) 0.4005617E-02 Vb(Abramov) -0.2713069E-02 Hb(Abramov) 0.1292548E-02 Ex_ueg -0.6953306E-03 Ec_ueg -0.1630734E-03 Delta_ex -0.7412593E-03 Delta_ec 0.8298755E-04 Delta_et -0.6947864E-03 Pxc 0.4263912E+01 Qxc -0.8932174E+01 3,+3 108 3 +1 -0.192619 0.187371 2.916021 Rho 0.5961751E-02 |GRAD(Rho)| 0.1235985E-16 GRAD(Rho)x 0.1053989E-16 GRAD(Rho)y 0.6445619E-17 GRAD(Rho)z -0.3614275E-18 Laplacian 0.2490139E-01 (-1/4)Del**2(Rho)) -0.6225347E-02 Diamond 0.6925445E-03 Metallicity 0.5424328E+00 Ellipticity -0.2716507E+01 Gb(Abramov) 0.4713037E-02 Vb(Abramov) -0.3200727E-02 Hb(Abramov) 0.1512310E-02 Ex_ueg -0.7983932E-03 Ec_ueg -0.1885328E-03 Delta_ex -0.1249674E-02 Delta_ec 0.7274924E-03 Delta_et -0.4187204E-02 Pxc 0.4234771E+01 Qxc -0.1717783E+01 3,+1 109 3 +1 -1.778395 -1.701177 1.795187 Rho 0.1247222E-01 |GRAD(Rho)| 0.6452036E-14 GRAD(Rho)x 0.5136323E-14 GRAD(Rho)y -0.3060771E-14 GRAD(Rho)z 0.2424588E-14 Laplacian 0.6271564E-01 (-1/4)Del**2(Rho)) -0.1567891E-01 Diamond 0.2620938E-02 Metallicity 0.7370163E+00 Ellipticity -0.1251720E+01 Gb(Abramov) 0.1237854E-01 Vb(Abramov) -0.9078174E-02 Hb(Abramov) 0.3300368E-02 Ex_ueg -0.2136208E-02 Ec_ueg -0.4814121E-03 Delta_ex -0.3106457E-02 Delta_ec 0.7999668E-03 Delta_et -0.6065800E-02 Pxc 0.4437379E+01 Qxc -0.3883232E+01 3,+1 110 3 +1 0.001588 -2.936348 0.059443 Rho 0.4961850E-02 |GRAD(Rho)| 0.1774014E-16 GRAD(Rho)x -0.7562310E-17 GRAD(Rho)y 0.9554532E-18 GRAD(Rho)z 0.1601909E-16 Laplacian 0.2009962E-01 (-1/4)Del**2(Rho)) -0.5024905E-02 Diamond 0.4507831E-03 Metallicity 0.4948778E+00 Ellipticity -0.2635325E+01 Gb(Abramov) 0.3764389E-02 Vb(Abramov) -0.2503873E-02 Hb(Abramov) 0.1260516E-02 Ex_ueg -0.6250429E-03 Ec_ueg -0.1452714E-03 Delta_ex -0.9855315E-03 Delta_ec 0.6109132E-03 Delta_et -0.3319054E-02 Pxc 0.4302588E+01 Qxc -0.1613210E+01 3,+1 111 3 -1 -1.843713 -2.729076 0.589501 Rho 0.1274633E+00 |GRAD(Rho)| 0.1575772E-14 GRAD(Rho)x -0.1054495E-14 GRAD(Rho)y 0.1136583E-15 GRAD(Rho)z -0.1165409E-14 Laplacian 0.5355147E+00 (-1/4)Del**2(Rho)) -0.1338787E+00 Diamond 0.9024450E+00 Metallicity 0.4154164E+01 Ellipticity 0.1914621E-01 Gb(Abramov) 0.1819448E+00 Vb(Abramov) -0.2300109E+00 Hb(Abramov) -0.4806611E-01 Ex_ueg -0.4737675E-01 Ec_ueg -0.7016860E-02 Delta_ex -0.5540119E-01 Delta_ec 0.1435648E-01 Delta_et -0.1868264E+00 Pxc 0.6751844E+01 Qxc -0.3858966E+01 3,-1 112 3 +1 -0.251616 -2.248757 -1.087546 Rho 0.7498089E-02 |GRAD(Rho)| 0.3057978E-13 GRAD(Rho)x -0.2817238E-13 GRAD(Rho)y 0.4042265E-14 GRAD(Rho)z -0.1118482E-13 Laplacian 0.2961346E-01 (-1/4)Del**2(Rho)) -0.7403365E-02 Diamond 0.9237011E-03 Metallicity 0.6684081E+00 Ellipticity -0.1979558E+01 Gb(Abramov) 0.5760321E-02 Vb(Abramov) -0.4117278E-02 Hb(Abramov) 0.1643043E-02 Ex_ueg -0.1083892E-02 Ec_ueg -0.2559506E-03 Delta_ex -0.1450979E-02 Delta_ec 0.6737863E-03 Delta_et -0.4228174E-02 Pxc 0.4234768E+01 Qxc -0.2153471E+01 3,+1 113 3 +1 -0.626908 -1.656882 0.515265 Rho 0.9125735E-02 |GRAD(Rho)| 0.2013475E-15 GRAD(Rho)x -0.1968938E-15 GRAD(Rho)y 0.3657742E-16 GRAD(Rho)z 0.2087428E-16 Laplacian 0.3630138E-01 (-1/4)Del**2(Rho)) -0.9075345E-02 Diamond 0.1014391E-02 Metallicity 0.7564898E+00 Ellipticity -0.1408495E+01 Gb(Abramov) 0.7194464E-02 Vb(Abramov) -0.5313584E-02 Hb(Abramov) 0.1880881E-02 Ex_ueg -0.1408452E-02 Ec_ueg -0.3285639E-03 Delta_ex -0.1667343E-02 Delta_ec 0.4818748E-03 Delta_et -0.3367196E-02 Pxc 0.4286693E+01 Qxc -0.3460117E+01 3,+1 114 3 -1 -0.448360 0.375167 0.383079 Rho 0.1350955E+00 |GRAD(Rho)| 0.1217042E-15 GRAD(Rho)x 0.5198649E-16 GRAD(Rho)y 0.8028724E-16 GRAD(Rho)z 0.7525475E-16 Laplacian 0.7025916E+00 (-1/4)Del**2(Rho)) -0.1756479E+00 Diamond 0.1517183E+01 Metallicity 0.3488550E+01 Ellipticity 0.3759562E-02 Gb(Abramov) 0.2192247E+00 Vb(Abramov) -0.2628015E+00 Hb(Abramov) -0.4357678E-01 Ex_ueg -0.5119641E-01 Ec_ueg -0.7496350E-02 Delta_ex -0.7654451E-01 Delta_ec 0.2363771E-01 Delta_et -0.3204000E+00 Pxc 0.6829512E+01 Qxc -0.3238237E+01 3,-1 115 3 -1 1.712223 -2.831107 -0.631155 Rho 0.2045198E+00 |GRAD(Rho)| 0.4612686E-15 GRAD(Rho)x 0.4556902E-15 GRAD(Rho)y 0.7521653E-17 GRAD(Rho)z 0.7112366E-16 Laplacian 0.8034268E+00 (-1/4)Del**2(Rho)) -0.2008567E+00 Diamond 0.2326070E+01 Metallicity 0.6089184E+01 Ellipticity 0.5813177E-02 Gb(Abramov) 0.3377467E+00 Vb(Abramov) -0.4746367E+00 Hb(Abramov) -0.1368900E+00 Ex_ueg -0.8899499E-01 Ec_ueg -0.1202105E-01 Delta_ex -0.9301527E-01 Delta_ec 0.1836758E-01 Delta_et -0.2514538E+00 Pxc 0.7403261E+01 Qxc -0.5064099E+01 3,-1 116 3 -1 1.900067 -3.016601 0.825472 Rho 0.1340137E+00 |GRAD(Rho)| 0.1638672E-15 GRAD(Rho)x -0.1252525E-15 GRAD(Rho)y -0.1953597E-16 GRAD(Rho)z -0.1038395E-15 Laplacian 0.5220471E+00 (-1/4)Del**2(Rho)) -0.1305118E+00 Diamond 0.9369073E+00 Metallicity 0.4632533E+01 Ellipticity 0.3132220E-01 Gb(Abramov) 0.1877745E+00 Vb(Abramov) -0.2450373E+00 Hb(Abramov) -0.5726277E-01 Ex_ueg -0.5065051E-01 Ec_ueg -0.7428152E-02 Delta_ex -0.5469219E-01 Delta_ec 0.1388267E-01 Delta_et -0.1822599E+00 Pxc 0.6818723E+01 Qxc -0.3939601E+01 3,-1 117 3 -1 2.712982 -1.809951 -0.590312 Rho 0.1379095E+00 |GRAD(Rho)| 0.1575676E-15 GRAD(Rho)x -0.4743385E-19 GRAD(Rho)y -0.1549460E-15 GRAD(Rho)z 0.2862294E-16 Laplacian 0.5711053E+00 (-1/4)Del**2(Rho)) -0.1427763E+00 Diamond 0.1055651E+01 Metallicity 0.4441751E+01 Ellipticity 0.1096475E-01 Gb(Abramov) 0.2008804E+00 Vb(Abramov) -0.2589844E+00 Hb(Abramov) -0.5810404E-01 Ex_ueg -0.5262323E-01 Ec_ueg -0.7674102E-02 Delta_ex -0.6018941E-01 Delta_ec 0.1497989E-01 Delta_et -0.1973595E+00 Pxc 0.6857249E+01 Qxc -0.4018014E+01 3,-1 118 3 +1 2.943349 -0.138374 0.165022 Rho 0.5573401E-02 |GRAD(Rho)| 0.4523380E-17 GRAD(Rho)x -0.8096047E-18 GRAD(Rho)y -0.4421080E-17 GRAD(Rho)z -0.5094694E-18 Laplacian 0.2298197E-01 (-1/4)Del**2(Rho)) -0.5745492E-02 Diamond 0.6232036E-03 Metallicity 0.5253230E+00 Ellipticity -0.3529765E+01 Gb(Abramov) 0.4333368E-02 Vb(Abramov) -0.2921244E-02 Hb(Abramov) 0.1412124E-02 Ex_ueg -0.7298138E-03 Ec_ueg -0.1716714E-03 Delta_ex -0.1169450E-02 Delta_ec 0.7280114E-03 Delta_et -0.4082870E-02 Pxc 0.4251225E+01 Qxc -0.1606363E+01 3,+1 119 3 -1 3.178499 3.195978 0.088439 Rho 0.2307149E+00 |GRAD(Rho)| 0.2206543E-15 GRAD(Rho)x -0.6657001E-16 GRAD(Rho)y -0.2092510E-15 GRAD(Rho)z -0.2169760E-16 Laplacian 0.8328538E+00 (-1/4)Del**2(Rho)) -0.2082135E+00 Diamond 0.2819484E+01 Metallicity 0.7180762E+01 Ellipticity 0.4054436E-03 Gb(Abramov) 0.3879975E+00 Vb(Abramov) -0.5677816E+00 Hb(Abramov) -0.1797841E+00 Ex_ueg -0.1045088E+00 Ec_ueg -0.1379962E-01 Delta_ex -0.9965532E-01 Delta_ec 0.1871823E-01 Delta_et -0.2593207E+00 Pxc 0.7573304E+01 Qxc -0.5323971E+01 3,-1 120 3 -1 1.693107 1.699537 -0.527136 Rho 0.3730648E-01 |GRAD(Rho)| 0.5689915E-16 GRAD(Rho)x -0.4651291E-16 GRAD(Rho)y -0.2916864E-16 GRAD(Rho)z -0.1494166E-16 Laplacian 0.1442140E+00 (-1/4)Del**2(Rho)) -0.3605349E-01 Diamond 0.4859853E-01 Metallicity 0.1990274E+01 Ellipticity 0.9681941E-02 Gb(Abramov) 0.3599505E-01 Vb(Abramov) -0.3593661E-01 Hb(Abramov) 0.5844357E-04 Ex_ueg -0.9206559E-02 Ec_ueg -0.1726287E-02 Delta_ex -0.1100391E-01 Delta_ec 0.4249246E-02 Delta_et -0.4143657E-01 Pxc 0.5333156E+01 Qxc -0.2589614E+01 3,-1 121 3 +1 1.384603 2.115621 -1.041082 Rho 0.2605864E-01 |GRAD(Rho)| 0.4853448E-16 GRAD(Rho)x -0.4663391E-16 GRAD(Rho)y -0.1343790E-16 GRAD(Rho)z 0.5450798E-18 Laplacian 0.9881276E-01 (-1/4)Del**2(Rho)) -0.2470319E-01 Diamond 0.1194797E-01 Metallicity 0.1597300E+01 Ellipticity -0.2545760E+01 Gb(Abramov) 0.2304519E-01 Vb(Abramov) -0.2138720E-01 Hb(Abramov) 0.1657997E-02 Ex_ueg -0.5705855E-02 Ec_ueg -0.1142162E-02 Delta_ex -0.6035862E-02 Delta_ec 0.1358431E-02 Delta_et -0.1217727E-01 Pxc 0.4995664E+01 Qxc -0.4443262E+01 3,+1 122 3 -1 -2.794881 1.760054 -0.536790 Rho 0.1973403E+00 |GRAD(Rho)| 0.8719501E-14 GRAD(Rho)x 0.2305149E-15 GRAD(Rho)y 0.6262189E-14 GRAD(Rho)z 0.6063130E-14 Laplacian 0.8081710E+00 (-1/4)Del**2(Rho)) -0.2020428E+00 Diamond 0.2237187E+01 Metallicity 0.5703432E+01 Ellipticity 0.2119622E-01 Gb(Abramov) 0.3267514E+00 Vb(Abramov) -0.4514600E+00 Hb(Abramov) -0.1247086E+00 Ex_ueg -0.8485410E-01 Ec_ueg -0.1154023E-01 Delta_ex -0.9268236E-01 Delta_ec 0.1860718E-01 Delta_et -0.2538815E+00 Pxc 0.7352897E+01 Qxc -0.4981001E+01 3,-1 123 3 -1 -3.005889 1.971688 0.892554 Rho 0.1350398E+00 |GRAD(Rho)| 0.1206676E-12 GRAD(Rho)x 0.4185390E-13 GRAD(Rho)y 0.5993547E-13 GRAD(Rho)z -0.9600338E-13 Laplacian 0.5256187E+00 (-1/4)Del**2(Rho)) -0.1314047E+00 Diamond 0.9497577E+00 Metallicity 0.4659923E+01 Ellipticity 0.3171467E-01 Gb(Abramov) 0.1896591E+00 Vb(Abramov) -0.2479135E+00 Hb(Abramov) -0.5825439E-01 Ex_ueg -0.5116828E-01 Ec_ueg -0.7492839E-02 Delta_ex -0.5514206E-01 Delta_ec 0.1390629E-01 Delta_et -0.1827057E+00 Pxc 0.6828958E+01 Qxc -0.3965261E+01 3,-1 124 3 -1 -1.985856 2.955242 0.859394 Rho 0.1124487E+00 |GRAD(Rho)| 0.2586948E-15 GRAD(Rho)x -0.1094163E-15 GRAD(Rho)y -0.1001600E-15 GRAD(Rho)z -0.2119412E-15 Laplacian 0.4478215E+00 (-1/4)Del**2(Rho)) -0.1119554E+00 Diamond 0.6417401E+00 Metallicity 0.4031179E+01 Ellipticity 0.1459572E-01 Gb(Abramov) 0.1498556E+00 Vb(Abramov) -0.1877558E+00 Hb(Abramov) -0.3790022E-01 Ex_ueg -0.4008582E-01 Ec_ueg -0.6085129E-02 Delta_ex -0.4486249E-01 Delta_ec 0.1216766E-01 Delta_et -0.1545804E+00 Pxc 0.6587505E+01 Qxc -0.3687026E+01 3,-1 125 3 -1 0.016440 2.946344 0.018003 Rho 0.6000071E-02 |GRAD(Rho)| 0.7948551E-16 GRAD(Rho)x -0.5705616E-16 GRAD(Rho)y -0.1096662E-16 GRAD(Rho)z 0.5424273E-16 Laplacian 0.2417661E-01 (-1/4)Del**2(Rho)) -0.6044152E-02 Diamond 0.8465757E-03 Metallicity 0.5646923E+00 Ellipticity 0.1809507E+01 Gb(Abramov) 0.4598282E-02 Vb(Abramov) -0.3152413E-02 Hb(Abramov) 0.1445870E-02 Ex_ueg -0.8052430E-03 Ec_ueg -0.1902006E-03 Delta_ex -0.1337477E-02 Delta_ec 0.9252005E-03 Delta_et -0.5242232E-02 Pxc 0.4233651E+01 Qxc -0.1445607E+01 3,-1 126 3 +1 -1.741563 1.702778 -1.713181 Rho 0.1140626E-01 |GRAD(Rho)| 0.3796022E-13 GRAD(Rho)x 0.2792486E-13 GRAD(Rho)y 0.2547214E-13 GRAD(Rho)z -0.3514302E-14 Laplacian 0.5526464E-01 (-1/4)Del**2(Rho)) -0.1381616E-01 Diamond 0.2096908E-02 Metallicity 0.7206721E+00 Ellipticity -0.1293677E+01 Gb(Abramov) 0.1087026E-01 Vb(Abramov) -0.7924360E-02 Hb(Abramov) 0.2945900E-02 Ex_ueg -0.1896309E-02 Ec_ueg -0.4322295E-03 Delta_ex -0.2690118E-02 Delta_ec 0.7345897E-03 Delta_et -0.5426486E-02 Pxc 0.4387274E+01 Qxc -0.3662068E+01 3,+1 127 3 +1 -0.547566 1.650373 -0.503709 Rho 0.9253677E-02 |GRAD(Rho)| 0.5976086E-17 GRAD(Rho)x -0.5579049E-17 GRAD(Rho)y -0.3335147E-18 GRAD(Rho)z 0.2115795E-17 Laplacian 0.3659777E-01 (-1/4)Del**2(Rho)) -0.9149444E-02 Diamond 0.1017503E-02 Metallicity 0.7679784E+00 Ellipticity -0.1394272E+01 Gb(Abramov) 0.7270725E-02 Vb(Abramov) -0.5392006E-02 Hb(Abramov) 0.1878719E-02 Ex_ueg -0.1434842E-02 Ec_ueg -0.3343215E-03 Delta_ex -0.1676853E-02 Delta_ec 0.4677178E-03 Delta_et -0.3294965E-02 Pxc 0.4291804E+01 Qxc -0.3585180E+01 3,+1 128 3 +3 0.023455 2.277261 0.021510 Rho 0.4843753E-02 |GRAD(Rho)| 0.4974178E-17 GRAD(Rho)x 0.3047502E-17 GRAD(Rho)y 0.3848764E-17 GRAD(Rho)z -0.8013687E-18 Laplacian 0.2007902E-01 (-1/4)Del**2(Rho)) -0.5019756E-02 Diamond 0.1748899E-03 Metallicity 0.4758906E+00 Ellipticity -0.2824559E+00 Gb(Abramov) 0.3744646E-02 Vb(Abramov) -0.2469537E-02 Hb(Abramov) 0.1275110E-02 Ex_ueg -0.6052865E-03 Ec_ueg -0.1401950E-03 Delta_ex -0.7270008E-03 Delta_ec 0.1587338E-03 Delta_et -0.1045974E-02 Pxc 0.4317460E+01 Qxc -0.4579999E+01 3,+3 129 3 +1 -1.312517 2.172343 1.160502 Rho 0.2906802E-01 |GRAD(Rho)| 0.2327090E-16 GRAD(Rho)x 0.7258662E-17 GRAD(Rho)y 0.2191616E-16 GRAD(Rho)z 0.2920357E-17 Laplacian 0.1129023E+00 (-1/4)Del**2(Rho)) -0.2822559E-01 Diamond 0.1738511E-01 Metallicity 0.1677269E+01 Ellipticity -0.3837101E+01 Gb(Abramov) 0.2670737E-01 Vb(Abramov) -0.2518916E-01 Hb(Abramov) 0.1518212E-02 Ex_ueg -0.6600939E-02 Ec_ueg -0.1295636E-02 Delta_ex -0.7241740E-02 Delta_ec 0.1790675E-02 Delta_et -0.1640722E-01 Pxc 0.5094750E+01 Qxc -0.4044139E+01 3,+1 130 3 +1 -0.191732 2.943098 0.222569 Rho 0.5906983E-02 |GRAD(Rho)| 0.3214376E-16 GRAD(Rho)x -0.2808353E-16 GRAD(Rho)y 0.4107637E-17 GRAD(Rho)z 0.1508854E-16 Laplacian 0.2465249E-01 (-1/4)Del**2(Rho)) -0.6163122E-02 Diamond 0.6449476E-03 Metallicity 0.5395462E+00 Ellipticity -0.2188417E+01 Gb(Abramov) 0.4662963E-02 Vb(Abramov) -0.3162804E-02 Hb(Abramov) 0.1500159E-02 Ex_ueg -0.7886289E-03 Ec_ueg -0.1861504E-03 Delta_ex -0.1210922E-02 Delta_ec 0.6774680E-03 Delta_et -0.3906834E-02 Pxc 0.4236515E+01 Qxc -0.1787423E+01 3,+1 131 3 -1 -0.861944 2.990526 1.992357 Rho 0.1599943E+00 |GRAD(Rho)| 0.2321453E-15 GRAD(Rho)x 0.1607330E-16 GRAD(Rho)y -0.2241995E-15 GRAD(Rho)z 0.5803192E-16 Laplacian 0.6258324E+00 (-1/4)Del**2(Rho)) -0.1564581E+00 Diamond 0.1372746E+01 Metallicity 0.5191934E+01 Ellipticity 0.5150183E-01 Gb(Abramov) 0.2396921E+00 Vb(Abramov) -0.3229261E+00 Hb(Abramov) -0.8323399E-01 Ex_ueg -0.6414916E-01 Ec_ueg -0.9086331E-02 Delta_ex -0.6830865E-01 Delta_ec 0.1566218E-01 Delta_et -0.2103938E+00 Pxc 0.7059963E+01 Qxc -0.4361375E+01 3,-1 132 3 +1 0.226174 2.932119 -0.189208 Rho 0.5904792E-02 |GRAD(Rho)| 0.1369184E-16 GRAD(Rho)x 0.8295369E-17 GRAD(Rho)y 0.1146976E-17 GRAD(Rho)z 0.1083226E-16 Laplacian 0.2484094E-01 (-1/4)Del**2(Rho)) -0.6210236E-02 Diamond 0.6565975E-03 Metallicity 0.5351219E+00 Ellipticity -0.2203822E+01 Gb(Abramov) 0.4694029E-02 Vb(Abramov) -0.3177823E-02 Hb(Abramov) 0.1516206E-02 Ex_ueg -0.7882388E-03 Ec_ueg -0.1860551E-03 Delta_ex -0.1225325E-02 Delta_ec 0.6920027E-03 Delta_et -0.3985978E-02 Pxc 0.4236588E+01 Qxc -0.1770695E+01 3,+1 133 3 -1 -0.571428 -1.769328 2.793490 Rho 0.1370698E+00 |GRAD(Rho)| 0.2464432E-12 GRAD(Rho)x 0.1534717E-12 GRAD(Rho)y -0.1805036E-12 GRAD(Rho)z -0.6781685E-13 Laplacian 0.5726688E+00 (-1/4)Del**2(Rho)) -0.1431672E+00 Diamond 0.1047448E+01 Metallicity 0.4384761E+01 Ellipticity 0.9972550E-02 Gb(Abramov) 0.2000705E+00 Vb(Abramov) -0.2569737E+00 Hb(Abramov) -0.5690326E-01 Ex_ueg -0.5219642E-01 Ec_ueg -0.7621005E-02 Delta_ex -0.6022726E-01 Delta_ec 0.1497576E-01 Delta_et -0.1969827E+00 Pxc 0.6849021E+01 Qxc -0.4021649E+01 3,-1 134 3 -1 -0.007091 -3.274061 -1.263299 Rho 0.3802984E-01 |GRAD(Rho)| 0.6495789E-16 GRAD(Rho)x 0.6366537E-16 GRAD(Rho)y -0.1280984E-16 GRAD(Rho)z -0.1468352E-17 Laplacian 0.1129397E+00 (-1/4)Del**2(Rho)) -0.2823493E-01 Diamond 0.6241804E-01 Metallicity 0.2624061E+01 Ellipticity 0.1209062E-02 Gb(Abramov) 0.3117165E-01 Vb(Abramov) -0.3410837E-01 Hb(Abramov) -0.2936720E-02 Ex_ueg -0.9445342E-02 Ec_ueg -0.1764766E-02 Delta_ex -0.1010823E-01 Delta_ec 0.5915520E-02 Delta_et -0.5820054E-01 Pxc 0.5352179E+01 Qxc -0.1708764E+01 3,-1 135 3 -1 -0.078858 -3.167928 3.193186 Rho 0.2400447E+00 |GRAD(Rho)| 0.3588737E-10 GRAD(Rho)x -0.6489093E-11 GRAD(Rho)y -0.2467872E-10 GRAD(Rho)z 0.2523402E-10 Laplacian 0.8963542E+00 (-1/4)Del**2(Rho)) -0.2240886E+00 Diamond 0.3150261E+01 Metallicity 0.7127769E+01 Ellipticity 0.2450790E-02 Gb(Abramov) 0.4156010E+00 Vb(Abramov) -0.6071134E+00 Hb(Abramov) -0.1915124E+00 Ex_ueg -0.1101813E+00 Ec_ueg -0.1444220E-01 Delta_ex -0.1081935E+00 Delta_ec 0.1960441E-01 Delta_et -0.2706925E+00 Pxc 0.7629119E+01 Qxc -0.5518832E+01 3,-1 136 3 -1 0.497268 1.645646 -1.695772 Rho 0.5998337E-01 |GRAD(Rho)| 0.1187133E-13 GRAD(Rho)x -0.3692892E-14 GRAD(Rho)y 0.8043781E-14 GRAD(Rho)z -0.7911295E-14 Laplacian 0.2309735E+00 (-1/4)Del**2(Rho)) -0.5774338E-01 Diamond 0.1463517E+00 Metallicity 0.2742221E+01 Ellipticity 0.1040370E-01 Gb(Abramov) 0.6488643E-01 Vb(Abramov) -0.7202949E-01 Hb(Abramov) -0.7143055E-02 Ex_ueg -0.1734175E-01 Ec_ueg -0.2973726E-02 Delta_ex -0.1978760E-01 Delta_ec 0.6654420E-02 Delta_et -0.7343320E-01 Pxc 0.5831657E+01 Qxc -0.2973603E+01 3,-1 137 3 -1 3.078511 -3.223037 -0.112956 Rho 0.2356592E+00 |GRAD(Rho)| 0.1568950E-11 GRAD(Rho)x -0.1136185E-11 GRAD(Rho)y 0.1060019E-11 GRAD(Rho)z 0.2169001E-12 Laplacian 0.8782555E+00 (-1/4)Del**2(Rho)) -0.2195639E+00 Diamond 0.3024127E+01 Metallicity 0.7054501E+01 Ellipticity 0.1234765E-01 Gb(Abramov) 0.4045282E+00 Vb(Abramov) -0.5894925E+00 Hb(Abramov) -0.1849643E+00 Ex_ueg -0.1075056E+00 Ec_ueg -0.1413956E-01 Delta_ex -0.1055278E+00 Delta_ec 0.1936481E-01 Delta_et -0.2674477E+00 Pxc 0.7603174E+01 Qxc -0.5449462E+01 3,-1 138 3 -1 2.892972 -2.010157 0.806843 Rho 0.9936786E-01 |GRAD(Rho)| 0.4857141E-11 GRAD(Rho)x -0.1405656E-11 GRAD(Rho)y 0.3588225E-11 GRAD(Rho)z 0.2956448E-11 Laplacian 0.3950816E+00 (-1/4)Del**2(Rho)) -0.9877041E-01 Diamond 0.4870663E+00 Metallicity 0.3718230E+01 Ellipticity 0.2468805E-02 Gb(Abramov) 0.1270555E+00 Vb(Abramov) -0.1553405E+00 Hb(Abramov) -0.2828504E-01 Ex_ueg -0.3399223E-01 Ec_ueg -0.5286775E-02 Delta_ex -0.3843530E-01 Delta_ec 0.1101496E-01 Delta_et -0.1366348E+00 Pxc 0.6429672E+01 Qxc -0.3489373E+01 3,-1 139 3 +1 1.290654 1.112464 -2.173889 Rho 0.2911543E-01 |GRAD(Rho)| 0.2073996E-16 GRAD(Rho)x -0.1049866E-16 GRAD(Rho)y 0.3477107E-17 GRAD(Rho)z -0.1754520E-16 Laplacian 0.1134296E+00 (-1/4)Del**2(Rho)) -0.2835740E-01 Diamond 0.1768314E-01 Metallicity 0.1674012E+01 Ellipticity -0.4053630E+01 Gb(Abramov) 0.2681671E-01 Vb(Abramov) -0.2527601E-01 Hb(Abramov) 0.1540695E-02 Ex_ueg -0.6615295E-02 Ec_ueg -0.1298071E-02 Delta_ex -0.7294522E-02 Delta_ec 0.1827129E-02 Delta_et -0.1674409E-01 Pxc 0.5096252E+01 Qxc -0.3992340E+01 3,+1 140 3 -1 -1.718860 0.540695 1.733985 Rho 0.5132031E-01 |GRAD(Rho)| 0.5519236E-13 GRAD(Rho)x -0.3646708E-13 GRAD(Rho)y -0.1775789E-13 GRAD(Rho)z 0.3743001E-13 Laplacian 0.1954459E+00 (-1/4)Del**2(Rho)) -0.4886148E-01 Diamond 0.9947853E-01 Metallicity 0.2498822E+01 Ellipticity 0.8645571E-02 Gb(Abramov) 0.5292368E-01 Vb(Abramov) -0.5698588E-01 Hb(Abramov) -0.4062199E-02 Ex_ueg -0.1408545E-01 Ec_ueg -0.2487985E-02 Delta_ex -0.1606163E-01 Delta_ec 0.5586633E-02 Delta_et -0.5923894E-01 Pxc 0.5661390E+01 Qxc -0.2875010E+01 3,-1 141 3 -1 -1.745890 0.436594 -2.803894 Rho 0.1327343E+00 |GRAD(Rho)| 0.1169105E-15 GRAD(Rho)x 0.5285486E-18 GRAD(Rho)y -0.1139496E-15 GRAD(Rho)z -0.2613944E-16 Laplacian 0.5568472E+00 (-1/4)Del**2(Rho)) -0.1392118E+00 Diamond 0.9916646E+00 Metallicity 0.4274144E+01 Ellipticity 0.1101703E-01 Gb(Abramov) 0.1919764E+00 Vb(Abramov) -0.2447410E+00 Hb(Abramov) -0.5276462E-01 Ex_ueg -0.5000684E-01 Ec_ueg -0.7347601E-02 Delta_ex -0.5824737E-01 Delta_ec 0.1492058E-01 Delta_et -0.1957292E+00 Pxc 0.6805872E+01 Qxc -0.3903828E+01 3,-1 142 3 -1 -1.976677 0.875748 3.030838 Rho 0.1401259E+00 |GRAD(Rho)| 0.1216830E-15 GRAD(Rho)x 0.7902479E-16 GRAD(Rho)y -0.9225205E-16 GRAD(Rho)z 0.7169287E-17 Laplacian 0.5517517E+00 (-1/4)Del**2(Rho)) -0.1379379E+00 Diamond 0.1034907E+01 Metallicity 0.4721359E+01 Ellipticity 0.3977107E-01 Gb(Abramov) 0.2005010E+00 Vb(Abramov) -0.2630642E+00 Hb(Abramov) -0.6256311E-01 Ex_ueg -0.5375388E-01 Ec_ueg -0.7814460E-02 Delta_ex -0.5832395E-01 Delta_ec 0.1432520E-01 Delta_et -0.1890117E+00 Pxc 0.6878771E+01 Qxc -0.4071422E+01 3,-1 143 3 -1 -0.547032 1.709103 1.716693 Rho 0.5225534E-01 |GRAD(Rho)| 0.7234071E-16 GRAD(Rho)x -0.6271919E-16 GRAD(Rho)y -0.2512469E-16 GRAD(Rho)z 0.2585018E-16 Laplacian 0.2019593E+00 (-1/4)Del**2(Rho)) -0.5048982E-01 Diamond 0.1060854E+00 Metallicity 0.2492110E+01 Ellipticity 0.1693628E-01 Gb(Abramov) 0.5463091E-01 Vb(Abramov) -0.5877200E-01 Hb(Abramov) -0.4141090E-02 Ex_ueg -0.1442866E-01 Ec_ueg -0.2539915E-02 Delta_ex -0.1670323E-01 Delta_ec 0.5825375E-02 Delta_et -0.6207512E-01 Pxc 0.5680765E+01 Qxc -0.2867323E+01 3,-1 144 3 -1 0.829422 -2.988940 1.991562 Rho 0.1459472E+00 |GRAD(Rho)| 0.2929539E-15 GRAD(Rho)x 0.2378740E-15 GRAD(Rho)y 0.1163891E-15 GRAD(Rho)z 0.1252660E-15 Laplacian 0.5739991E+00 (-1/4)Del**2(Rho)) -0.1434998E+00 Diamond 0.1129899E+01 Metallicity 0.4856929E+01 Ellipticity 0.5203141E-01 Gb(Abramov) 0.2118279E+00 Vb(Abramov) -0.2801560E+00 Hb(Abramov) -0.6832811E-01 Ex_ueg -0.5675179E-01 Ec_ueg -0.8184586E-02 Delta_ex -0.6127399E-01 Delta_ec 0.1474268E-01 Delta_et -0.1956724E+00 Pxc 0.6933985E+01 Qxc -0.4156233E+01 3,-1 145 3 -1 2.771313 0.542643 1.785324 Rho 0.1386967E+00 |GRAD(Rho)| 0.9148829E-14 GRAD(Rho)x -0.1800650E-14 GRAD(Rho)y -0.5840977E-14 GRAD(Rho)z 0.6807475E-14 Laplacian 0.5816166E+00 (-1/4)Del**2(Rho)) -0.1454041E+00 Diamond 0.1080855E+01 Metallicity 0.4403046E+01 Ellipticity 0.1406947E-01 Gb(Abramov) 0.2036396E+00 Vb(Abramov) -0.2618751E+00 Hb(Abramov) -0.5823547E-01 Ex_ueg -0.5302408E-01 Ec_ueg -0.7723913E-02 Delta_ex -0.6136415E-01 Delta_ec 0.1520304E-01 Delta_et -0.2004126E+00 Pxc 0.6864925E+01 Qxc -0.4036309E+01 3,-1 146 3 +1 1.746082 1.760096 1.722030 Rho 0.1222946E-01 |GRAD(Rho)| 0.4364244E-15 GRAD(Rho)x 0.2854656E-16 GRAD(Rho)y 0.3085695E-15 GRAD(Rho)z -0.3073047E-15 Laplacian 0.6132549E-01 (-1/4)Del**2(Rho)) -0.1533137E-01 Diamond 0.2504675E-02 Metallicity 0.7294308E+00 Ellipticity -0.1244449E+01 Gb(Abramov) 0.1208478E-01 Vb(Abramov) -0.8838183E-02 Hb(Abramov) 0.3246595E-02 Ex_ueg -0.2080948E-02 Ec_ueg -0.4701719E-03 Delta_ex -0.3024647E-02 Delta_ec 0.7872891E-03 Delta_et -0.5937372E-02 Pxc 0.4425931E+01 Qxc -0.3841850E+01 3,+1 147 3 -1 1.995492 2.974296 -0.842465 Rho 0.1326064E+00 |GRAD(Rho)| 0.1453254E-14 GRAD(Rho)x 0.8250169E-15 GRAD(Rho)y -0.4204943E-15 GRAD(Rho)z 0.1120035E-14 Laplacian 0.5185316E+00 (-1/4)Del**2(Rho)) -0.1296329E+00 Diamond 0.9010548E+00 Metallicity 0.4582602E+01 Ellipticity 0.4888139E-01 Gb(Abramov) 0.1854313E+00 Vb(Abramov) -0.2412296E+00 Hb(Abramov) -0.5579836E-01 Ex_ueg -0.4994259E-01 Ec_ueg -0.7339553E-02 Delta_ex -0.5397676E-01 Delta_ec 0.1345049E-01 Delta_et -0.1755796E+00 Pxc 0.6804582E+01 Qxc -0.4012995E+01 3,-1 148 3 -1 1.801289 2.783516 0.568821 Rho 0.1381642E+00 |GRAD(Rho)| 0.1005790E-15 GRAD(Rho)x 0.2439455E-16 GRAD(Rho)y 0.4586175E-16 GRAD(Rho)z -0.8612631E-16 Laplacian 0.5846724E+00 (-1/4)Del**2(Rho)) -0.1461681E+00 Diamond 0.1060024E+01 Metallicity 0.4352045E+01 Ellipticity 0.2061339E-01 Gb(Abramov) 0.2034671E+00 Vb(Abramov) -0.2607661E+00 Hb(Abramov) -0.5729899E-01 Ex_ueg -0.5275285E-01 Ec_ueg -0.7690215E-02 Delta_ex -0.6139004E-01 Delta_ec 0.1487046E-01 Delta_et -0.1950490E+00 Pxc 0.6859737E+01 Qxc -0.4128322E+01 3,-1 149 3 -1 3.267383 -0.011551 -3.152667 Rho 0.2399503E+00 |GRAD(Rho)| 0.1281398E-15 GRAD(Rho)x 0.6754580E-16 GRAD(Rho)y -0.1122149E-16 GRAD(Rho)z -0.1083118E-15 Laplacian 0.8865345E+00 (-1/4)Del**2(Rho)) -0.2216336E+00 Diamond 0.3121977E+01 Metallicity 0.7201996E+01 Ellipticity 0.3353565E-02 Gb(Abramov) 0.4137898E+00 Vb(Abramov) -0.6059460E+00 Hb(Abramov) -0.1921562E+00 Ex_ueg -0.1101235E+00 Ec_ueg -0.1443568E-01 Delta_ex -0.1070382E+00 Delta_ec 0.1946515E-01 Delta_et -0.2690930E+00 Pxc 0.7628566E+01 Qxc -0.5498966E+01 3,-1 150 3 -1 3.172056 0.024167 3.164380 Rho 0.2400171E+00 |GRAD(Rho)| 0.3234176E-15 GRAD(Rho)x 0.2982640E-15 GRAD(Rho)y -0.1069294E-15 GRAD(Rho)z -0.6483529E-16 Laplacian 0.8841615E+00 (-1/4)Del**2(Rho)) -0.2210404E+00 Diamond 0.3118577E+01 Metallicity 0.7224678E+01 Ellipticity 0.4844158E-02 Gb(Abramov) 0.4135178E+00 Vb(Abramov) -0.6059953E+00 Hb(Abramov) -0.1924775E+00 Ex_ueg -0.1101644E+00 Ec_ueg -0.1444029E-01 Delta_ex -0.1067803E+00 Delta_ec 0.1944862E-01 Delta_et -0.2690321E+00 Pxc 0.7628958E+01 Qxc -0.5490377E+01 3,-1 151 3 -1 2.773939 1.810513 0.574646 Rho 0.1368509E+00 |GRAD(Rho)| 0.3667901E-15 GRAD(Rho)x 0.7599241E-16 GRAD(Rho)y -0.3393011E-15 GRAD(Rho)z 0.1167686E-15 Laplacian 0.5769824E+00 (-1/4)Del**2(Rho)) -0.1442456E+00 Diamond 0.1035995E+01 Metallicity 0.4340402E+01 Ellipticity 0.1730813E-01 Gb(Abramov) 0.2005111E+00 Vb(Abramov) -0.2567765E+00 Hb(Abramov) -0.5626545E-01 Ex_ueg -0.5208531E-01 Ec_ueg -0.7607171E-02 Delta_ex -0.6046246E-01 Delta_ec 0.1474630E-01 Delta_et -0.1932206E+00 Pxc 0.6846869E+01 Qxc -0.4100179E+01 3,-1 152 3 -1 -2.981777 -0.987080 -2.044492 Rho 0.1294584E+00 |GRAD(Rho)| 0.1301115E-14 GRAD(Rho)x 0.5511881E-15 GRAD(Rho)y 0.9256105E-15 GRAD(Rho)z -0.7296139E-15 Laplacian 0.4956789E+00 (-1/4)Del**2(Rho)) -0.1239197E+00 Diamond 0.8607365E+00 Metallicity 0.4605710E+01 Ellipticity 0.3401041E-01 Gb(Abramov) 0.1777362E+00 Vb(Abramov) -0.2315527E+00 Hb(Abramov) -0.5381649E-01 Ex_ueg -0.4836808E-01 Ec_ueg -0.7141832E-02 Delta_ex -0.5158883E-01 Delta_ec 0.1344947E-01 Delta_et -0.1758608E+00 Pxc 0.6772503E+01 Qxc -0.3835752E+01 3,-1 153 3 -1 -2.076730 -0.955352 -3.232553 Rho 0.2340786E+00 |GRAD(Rho)| 0.3671861E-12 GRAD(Rho)x -0.1470634E-12 GRAD(Rho)y 0.2479514E-12 GRAD(Rho)z 0.2274161E-12 Laplacian 0.8948489E+00 (-1/4)Del**2(Rho)) -0.2237122E+00 Diamond 0.3037480E+01 Metallicity 0.6846462E+01 Ellipticity 0.1726348E-01 Gb(Abramov) 0.4044143E+00 Vb(Abramov) -0.5851165E+00 Hb(Abramov) -0.1807021E+00 Ex_ueg -0.1065452E+00 Ec_ueg -0.1403074E-01 Delta_ex -0.1072288E+00 Delta_ec 0.1958384E-01 Delta_et -0.2696048E+00 Pxc 0.7593697E+01 Qxc -0.5475372E+01 3,-1 154 3 -1 -0.601743 -2.741350 1.828241 Rho 0.1565061E+00 |GRAD(Rho)| 0.1765505E-11 GRAD(Rho)x -0.1240251E-11 GRAD(Rho)y -0.3588330E-12 GRAD(Rho)z -0.1204171E-11 Laplacian 0.6627241E+00 (-1/4)Del**2(Rho)) -0.1656810E+00 Diamond 0.1413509E+01 Metallicity 0.4726058E+01 Ellipticity 0.2351358E-01 Gb(Abramov) 0.2409570E+00 Vb(Abramov) -0.3162330E+00 Hb(Abramov) -0.7527601E-01 Ex_ueg -0.6229119E-01 Ec_ueg -0.8861288E-02 Delta_ex -0.7192135E-01 Delta_ec 0.1664126E-01 Delta_et -0.2228151E+00 Pxc 0.7029586E+01 Qxc -0.4321870E+01 3,-1 155 3 +1 0.509050 1.686264 0.489873 Rho 0.7947964E-02 |GRAD(Rho)| 0.5010123E-17 GRAD(Rho)x 0.1106875E-18 GRAD(Rho)y 0.4811621E-17 GRAD(Rho)z -0.1391897E-17 Laplacian 0.3149049E-01 (-1/4)Del**2(Rho)) -0.7872622E-02 Diamond 0.7541958E-03 Metallicity 0.6926710E+00 Ellipticity -0.1395513E+01 Gb(Abramov) 0.6157271E-02 Vb(Abramov) -0.4441919E-02 Hb(Abramov) 0.1715351E-02 Ex_ueg -0.1171457E-02 Ec_ueg -0.2759013E-03 Delta_ex -0.1408922E-02 Delta_ec 0.4406968E-03 Delta_et -0.2953553E-02 Pxc 0.4245927E+01 Qxc -0.3197032E+01 3,+1 156 3 -1 0.537444 1.781754 2.737844 Rho 0.1431821E+00 |GRAD(Rho)| 0.4718999E-14 GRAD(Rho)x -0.3515959E-14 GRAD(Rho)y 0.3082333E-14 GRAD(Rho)z -0.6373482E-15 Laplacian 0.6046510E+00 (-1/4)Del**2(Rho)) -0.1511627E+00 Diamond 0.1159268E+01 Metallicity 0.4466043E+01 Ellipticity 0.1109406E-01 Gb(Abramov) 0.2132917E+00 Vb(Abramov) -0.2754207E+00 Hb(Abramov) -0.6212897E-01 Ex_ueg -0.5532269E-01 Ec_ueg -0.8008508E-02 Delta_ex -0.6420343E-01 Delta_ec 0.1552853E-01 Delta_et -0.2053659E+00 Pxc 0.6907990E+01 Qxc -0.4134546E+01 3,-1 157 3 -1 -0.549647 2.736666 -1.749207 Rho 0.1481603E+00 |GRAD(Rho)| 0.7597397E-14 GRAD(Rho)x 0.1409680E-14 GRAD(Rho)y -0.4910934E-14 GRAD(Rho)z -0.5622808E-14 Laplacian 0.6193869E+00 (-1/4)Del**2(Rho)) -0.1548467E+00 Diamond 0.1236018E+01 Metallicity 0.4615345E+01 Ellipticity 0.1397530E-01 Gb(Abramov) 0.2223430E+00 Vb(Abramov) -0.2898392E+00 Hb(Abramov) -0.6749626E-01 Ex_ueg -0.5790207E-01 Ec_ueg -0.8325850E-02 Delta_ex -0.6630790E-01 Delta_ec 0.1575074E-01 Delta_et -0.2092824E+00 Pxc 0.6954494E+01 Qxc -0.4209827E+01 3,-1 158 3 -1 0.546895 2.778953 1.790185 Rho 0.1366753E+00 |GRAD(Rho)| 0.1057198E-14 GRAD(Rho)x -0.5919744E-15 GRAD(Rho)y -0.7309556E-16 GRAD(Rho)z 0.8728641E-15 Laplacian 0.5710434E+00 (-1/4)Del**2(Rho)) -0.1427608E+00 Diamond 0.1043964E+01 Metallicity 0.4376169E+01 Ellipticity 0.1213586E-01 Gb(Abramov) 0.1992982E+00 Vb(Abramov) -0.2558355E+00 Hb(Abramov) -0.5653731E-01 Ex_ueg -0.5199621E-01 Ec_ueg -0.7596076E-02 Delta_ex -0.6004933E-01 Delta_ec 0.1500605E-01 Delta_et -0.1974168E+00 Pxc 0.6845141E+01 Qxc -0.4001674E+01 3,-1 159 3 -1 -0.060198 3.106531 -3.146953 Rho 0.2386553E+00 |GRAD(Rho)| 0.3603841E-15 GRAD(Rho)x -0.5271933E-16 GRAD(Rho)y 0.3258028E-15 GRAD(Rho)z -0.1447410E-15 Laplacian 0.9023582E+00 (-1/4)Del**2(Rho)) -0.2255895E+00 Diamond 0.3141105E+01 Metallicity 0.7012174E+01 Ellipticity 0.1985797E-02 Gb(Abramov) 0.4140386E+00 Vb(Abramov) -0.6024876E+00 Hb(Abramov) -0.1884490E+00 Ex_ueg -0.1093318E+00 Ec_ueg -0.1434621E-01 Delta_ex -0.1087091E+00 Delta_ec 0.1969158E-01 Delta_et -0.2715016E+00 Pxc 0.7620955E+01 Qxc -0.5520588E+01 3,-1 160 3 -1 0.062493 3.172134 3.186103 Rho 0.2389766E+00 |GRAD(Rho)| 0.8604589E-15 GRAD(Rho)x 0.2489599E-15 GRAD(Rho)y 0.7914676E-15 GRAD(Rho)z -0.2280077E-15 Laplacian 0.8918947E+00 (-1/4)Del**2(Rho)) -0.2229737E+00 Diamond 0.3119526E+01 Metallicity 0.7110365E+01 Ellipticity 0.4583739E-02 Gb(Abramov) 0.4128865E+00 Vb(Abramov) -0.6027993E+00 Hb(Abramov) -0.1899128E+00 Ex_ueg -0.1095281E+00 Ec_ueg -0.1436840E-01 Delta_ex -0.1075389E+00 Delta_ec 0.1954923E-01 Delta_et -0.2699672E+00 Pxc 0.7622847E+01 Qxc -0.5500928E+01 3,-1 161 3 -1 1.902469 -0.594349 -2.809859 Rho 0.1539651E+00 |GRAD(Rho)| 0.1907241E-13 GRAD(Rho)x -0.1695893E-13 GRAD(Rho)y -0.2938974E-14 GRAD(Rho)z 0.8216694E-14 Laplacian 0.5915037E+00 (-1/4)Del**2(Rho)) -0.1478759E+00 Diamond 0.1260563E+01 Metallicity 0.5152599E+01 Ellipticity 0.1119955E+00 Gb(Abramov) 0.2255748E+00 Vb(Abramov) -0.3032737E+00 Hb(Abramov) -0.7769891E-01 Ex_ueg -0.6094642E-01 Ec_ueg -0.8697821E-02 Delta_ex -0.6415958E-01 Delta_ec 0.1531799E-01 Delta_et -0.2056182E+00 Pxc 0.7007091E+01 Qxc -0.4188512E+01 3,-1 162 3 -1 1.706427 0.501887 -1.720768 Rho 0.4674260E-01 |GRAD(Rho)| 0.6128737E-15 GRAD(Rho)x 0.3670211E-15 GRAD(Rho)y -0.1726226E-15 GRAD(Rho)z -0.4594684E-15 Laplacian 0.1763860E+00 (-1/4)Del**2(Rho)) -0.4409650E-01 Diamond 0.7906066E-01 Metallicity 0.2369576E+01 Ellipticity 0.1508054E-01 Gb(Abramov) 0.4681266E-01 Vb(Abramov) -0.4952883E-01 Hb(Abramov) -0.2716165E-02 Ex_ueg -0.1243566E-01 Ec_ueg -0.2235624E-02 Delta_ex -0.1415592E-01 Delta_ec 0.5045311E-02 Delta_et -0.5222060E-01 Pxc 0.5562502E+01 Qxc -0.2805757E+01 3,-1 163 3 -1 -3.195026 3.145919 -0.061681 Rho 0.2357377E+00 |GRAD(Rho)| 0.9463344E-15 GRAD(Rho)x 0.4728206E-15 GRAD(Rho)y -0.8165127E-15 GRAD(Rho)z 0.7277707E-16 Laplacian 0.8798621E+00 (-1/4)Del**2(Rho)) -0.2199655E+00 Diamond 0.3024804E+01 Metallicity 0.7045529E+01 Ellipticity 0.1033490E-01 Gb(Abramov) 0.4049393E+00 Vb(Abramov) -0.5899130E+00 Hb(Abramov) -0.1849738E+00 Ex_ueg -0.1075533E+00 Ec_ueg -0.1414497E-01 Delta_ex -0.1056969E+00 Delta_ec 0.1933924E-01 Delta_et -0.2668409E+00 Pxc 0.7603643E+01 Qxc -0.5465412E+01 3,-1 164 3 -1 -1.794847 -0.532077 2.806849 Rho 0.1462802E+00 |GRAD(Rho)| 0.2067837E-14 GRAD(Rho)x -0.1500698E-14 GRAD(Rho)y 0.1362910E-14 GRAD(Rho)z -0.4078362E-15 Laplacian 0.6172670E+00 (-1/4)Del**2(Rho)) -0.1543168E+00 Diamond 0.1214993E+01 Metallicity 0.4533666E+01 Ellipticity 0.1373582E-01 Gb(Abramov) 0.2194813E+00 Vb(Abramov) -0.2846458E+00 Hb(Abramov) -0.6516451E-01 Ex_ueg -0.5692450E-01 Ec_ueg -0.8205822E-02 Delta_ex -0.6589446E-01 Delta_ec 0.1578242E-01 Delta_et -0.2094031E+00 Pxc 0.6937087E+01 Qxc -0.4175181E+01 3,-1 165 3 -1 -0.517707 -0.401920 -0.402855 Rho 0.1427817E+00 |GRAD(Rho)| 0.6119789E-16 GRAD(Rho)x 0.1041087E-16 GRAD(Rho)y -0.2832651E-16 GRAD(Rho)z 0.5323913E-16 Laplacian 0.7697304E+00 (-1/4)Del**2(Rho)) -0.1924326E+00 Diamond 0.1769486E+01 Metallicity 0.3491901E+01 Ellipticity 0.3166151E-01 Gb(Abramov) 0.2402810E+00 Vb(Abramov) -0.2881294E+00 Hb(Abramov) -0.4784840E-01 Ex_ueg -0.5511650E-01 Ec_ueg -0.7983050E-02 Delta_ex -0.8485353E-01 Delta_ec 0.2545463E-01 Delta_et -0.3486652E+00 Pxc 0.6904191E+01 Qxc -0.3333520E+01 3,-1 166 3 -1 0.871697 1.932134 -2.961606 Rho 0.1313676E+00 |GRAD(Rho)| 0.2945848E-15 GRAD(Rho)x -0.2192257E-15 GRAD(Rho)y 0.1913346E-15 GRAD(Rho)z 0.4594984E-16 Laplacian 0.5169032E+00 (-1/4)Del**2(Rho)) -0.1292258E+00 Diamond 0.8985483E+00 Metallicity 0.4525688E+01 Ellipticity 0.3844696E-01 Gb(Abramov) 0.1836232E+00 Vb(Abramov) -0.2380205E+00 Hb(Abramov) -0.5439735E-01 Ex_ueg -0.4932150E-01 Ec_ueg -0.7261670E-02 Delta_ex -0.5380876E-01 Delta_ec 0.1365922E-01 Delta_et -0.1784608E+00 Pxc 0.6792033E+01 Qxc -0.3939372E+01 3,-1 167 3 -1 0.862746 2.938808 -1.961485 Rho 0.1384626E+00 |GRAD(Rho)| 0.9106245E-16 GRAD(Rho)x 0.4441163E-16 GRAD(Rho)y -0.6816921E-16 GRAD(Rho)z 0.4090153E-16 Laplacian 0.5485891E+00 (-1/4)Del**2(Rho)) -0.1371473E+00 Diamond 0.1016764E+01 Metallicity 0.4655004E+01 Ellipticity 0.4207883E-01 Gb(Abramov) 0.1978350E+00 Vb(Abramov) -0.2585228E+00 Hb(Abramov) -0.6068775E-01 Ex_ueg -0.5290479E-01 Ec_ueg -0.7709095E-02 Delta_ex -0.5784867E-01 Delta_ec 0.1433279E-01 Delta_et -0.1888654E+00 Pxc 0.6862646E+01 Qxc -0.4036107E+01 3,-1 168 3 -1 -2.779654 -0.530580 1.827049 Rho 0.1456771E+00 |GRAD(Rho)| 0.4284852E-15 GRAD(Rho)x 0.2882623E-16 GRAD(Rho)y 0.3990813E-15 GRAD(Rho)z 0.1533062E-15 Laplacian 0.6106152E+00 (-1/4)Del**2(Rho)) -0.1526538E+00 Diamond 0.1195883E+01 Metallicity 0.4551601E+01 Ellipticity 0.1133633E-01 Gb(Abramov) 0.2175724E+00 Vb(Abramov) -0.2824910E+00 Hb(Abramov) -0.6491861E-01 Ex_ueg -0.5661176E-01 Ec_ueg -0.8167361E-02 Delta_ex -0.6511777E-01 Delta_ec 0.1562701E-01 Delta_et -0.2072149E+00 Pxc 0.6931463E+01 Qxc -0.4167001E+01 3,-1 169 3 -1 -3.255780 -3.111296 0.083017 Rho 0.2391989E+00 |GRAD(Rho)| 0.9751333E-12 GRAD(Rho)x 0.7053866E-12 GRAD(Rho)y 0.6371878E-12 GRAD(Rho)z -0.2175004E-12 Laplacian 0.9140251E+00 (-1/4)Del**2(Rho)) -0.2285063E+00 Diamond 0.3186603E+01 Metallicity 0.6948968E+01 Ellipticity 0.2819854E-02 Gb(Abramov) 0.4169847E+00 Vb(Abramov) -0.6054630E+00 Hb(Abramov) -0.1884784E+00 Ex_ueg -0.1096640E+00 Ec_ueg -0.1438375E-01 Delta_ex -0.1101597E+00 Delta_ec 0.1989600E-01 Delta_et -0.2741748E+00 Pxc 0.7624155E+01 Qxc -0.5536775E+01 3,-1 170 3 -1 -1.730555 1.680570 0.529496 Rho 0.5296058E-01 |GRAD(Rho)| 0.4149537E-13 GRAD(Rho)x -0.3451240E-13 GRAD(Rho)y 0.2184169E-13 GRAD(Rho)z -0.7328041E-14 Laplacian 0.2018404E+00 (-1/4)Del**2(Rho)) -0.5046010E-01 Diamond 0.1076764E+00 Metallicity 0.2549918E+01 Ellipticity 0.1363599E-01 Gb(Abramov) 0.5508492E-01 Vb(Abramov) -0.5970974E-01 Hb(Abramov) -0.4624821E-02 Ex_ueg -0.1468888E-01 Ec_ueg -0.2579165E-02 Delta_ex -0.1673854E-01 Delta_ec 0.5800134E-02 Delta_et -0.6201165E-01 Pxc 0.5695206E+01 Qxc -0.2885888E+01 3,-1 171 3 -1 -1.789029 2.742233 -0.546512 Rho 0.1347104E+00 |GRAD(Rho)| 0.4067538E-15 GRAD(Rho)x 0.2605744E-15 GRAD(Rho)y 0.6812178E-16 GRAD(Rho)z -0.3048099E-15 Laplacian 0.5595852E+00 (-1/4)Del**2(Rho)) -0.1398963E+00 Diamond 0.1006329E+01 Metallicity 0.4359287E+01 Ellipticity 0.9129202E-02 Gb(Abramov) 0.1949055E+00 Vb(Abramov) -0.2499148E+00 Hb(Abramov) -0.5500926E-01 Ex_ueg -0.5100192E-01 Ec_ueg -0.7472065E-02 Delta_ex -0.5864966E-01 Delta_ec 0.1477581E-01 Delta_et -0.1939807E+00 Pxc 0.6825679E+01 Qxc -0.3969303E+01 3,-1 172 3 -1 0.320540 0.352879 -0.424403 Rho 0.1386123E+00 |GRAD(Rho)| 0.4741439E-15 GRAD(Rho)x -0.1324227E-15 GRAD(Rho)y -0.2416640E-15 GRAD(Rho)z 0.3858435E-15 Laplacian 0.7298455E+00 (-1/4)Del**2(Rho)) -0.1824614E+00 Diamond 0.1624997E+01 Metallicity 0.3505246E+01 Ellipticity 0.5571716E-02 Gb(Abramov) 0.2282362E+00 Vb(Abramov) -0.2740111E+00 Hb(Abramov) -0.4577486E-01 Ex_ueg -0.5298107E-01 Ec_ueg -0.7718570E-02 Delta_ex -0.7997634E-01 Delta_ec 0.2440898E-01 Delta_et -0.3325653E+00 Pxc 0.6864104E+01 Qxc -0.3276512E+01 3,-1 173 3 -1 -0.866076 1.985238 3.015329 Rho 0.1417610E+00 |GRAD(Rho)| 0.1194472E-12 GRAD(Rho)x -0.2733705E-13 GRAD(Rho)y 0.8280099E-13 GRAD(Rho)z -0.8163519E-13 Laplacian 0.5579869E+00 (-1/4)Del**2(Rho)) -0.1394967E+00 Diamond 0.1063522E+01 Metallicity 0.4759745E+01 Ellipticity 0.4101910E-01 Gb(Abramov) 0.2036593E+00 Vb(Abramov) -0.2678219E+00 Hb(Abramov) -0.6416257E-01 Ex_ueg -0.5459179E-01 Ec_ueg -0.7918203E-02 Delta_ex -0.5917385E-01 Delta_ec 0.1448907E-01 Delta_et -0.1915993E+00 Pxc 0.6894468E+01 Qxc -0.4084034E+01 3,-1 174 3 -1 2.795477 -0.553729 -1.776230 Rho 0.1440659E+00 |GRAD(Rho)| 0.7183002E-15 GRAD(Rho)x 0.4309026E-16 GRAD(Rho)y 0.4912520E-15 GRAD(Rho)z -0.5222737E-15 Laplacian 0.5987996E+00 (-1/4)Del**2(Rho)) -0.1496999E+00 Diamond 0.1161073E+01 Metallicity 0.4556173E+01 Ellipticity 0.1343577E-01 Gb(Abramov) 0.2134764E+00 Vb(Abramov) -0.2772529E+00 Hb(Abramov) -0.6377648E-01 Ex_ueg -0.5577847E-01 Ec_ueg -0.8064734E-02 Delta_ex -0.6372517E-01 Delta_ec 0.1543964E-01 Delta_et -0.2045584E+00 Pxc 0.6916344E+01 Qxc -0.4127374E+01 3,-1 175 3 -1 2.963893 -0.885248 1.965825 Rho 0.1716010E+00 |GRAD(Rho)| 0.1104165E-11 GRAD(Rho)x 0.4838717E-12 GRAD(Rho)y -0.7992069E-12 GRAD(Rho)z -0.5884870E-12 Laplacian 0.6723376E+00 (-1/4)Del**2(Rho)) -0.1680844E+00 Diamond 0.1599668E+01 Metallicity 0.5431155E+01 Ellipticity 0.5676798E-01 Gb(Abramov) 0.2642050E+00 Vb(Abramov) -0.3603256E+00 Hb(Abramov) -0.9612062E-01 Ex_ueg -0.7042793E-01 Ec_ueg -0.9840344E-02 Delta_ex -0.7463777E-01 Delta_ec 0.1646053E-01 Delta_et -0.2228277E+00 Pxc 0.7157059E+01 Qxc -0.4534348E+01 3,-1 176 3 -1 1.674607 -0.569751 1.677000 Rho 0.4467573E-01 |GRAD(Rho)| 0.1746091E-15 GRAD(Rho)x -0.1150813E-15 GRAD(Rho)y -0.3257583E-16 GRAD(Rho)z -0.1272142E-15 Laplacian 0.1683496E+00 (-1/4)Del**2(Rho)) -0.4208740E-01 Diamond 0.7058123E-01 Metallicity 0.2302434E+01 Ellipticity 0.2383250E-01 Gb(Abramov) 0.4420884E-01 Vb(Abramov) -0.4633028E-01 Hb(Abramov) -0.2121441E-02 Ex_ueg -0.1170794E-01 Ec_ueg -0.2122753E-02 Delta_ex -0.1333892E-01 Delta_ec 0.4783554E-02 Delta_et -0.4892193E-01 Pxc 0.5515452E+01 Qxc -0.2788496E+01 3,-1 177 3 -1 2.018908 0.843769 -2.983438 Rho 0.1474826E+00 |GRAD(Rho)| 0.3101161E-15 GRAD(Rho)x -0.3670024E-16 GRAD(Rho)y 0.3078457E-15 GRAD(Rho)z 0.7494548E-17 Laplacian 0.5794775E+00 (-1/4)Del**2(Rho)) -0.1448694E+00 Diamond 0.1160610E+01 Metallicity 0.4895659E+01 Ellipticity 0.4285578E-01 Gb(Abramov) 0.2147848E+00 Vb(Abramov) -0.2847002E+00 Hb(Abramov) -0.6991540E-01 Ex_ueg -0.5754922E-01 Ec_ueg -0.8282559E-02 Delta_ex -0.6207352E-01 Delta_ec 0.1494511E-01 Delta_et -0.1988827E+00 Pxc 0.6948241E+01 Qxc -0.4153433E+01 3,-1 178 3 -1 1.780736 0.525782 2.726103 Rho 0.1336213E+00 |GRAD(Rho)| 0.4278133E-16 GRAD(Rho)x -0.1755052E-16 GRAD(Rho)y -0.3014082E-16 GRAD(Rho)z 0.2477402E-16 Laplacian 0.5637041E+00 (-1/4)Del**2(Rho)) -0.1409260E+00 Diamond 0.9970521E+00 Metallicity 0.4269281E+01 Ellipticity 0.1027186E-01 Gb(Abramov) 0.1942262E+00 Vb(Abramov) -0.2475263E+00 Hb(Abramov) -0.5330013E-01 Ex_ueg -0.5045288E-01 Ec_ueg -0.7403436E-02 Delta_ex -0.5888614E-01 Delta_ec 0.1477148E-01 Delta_et -0.1933992E+00 Pxc 0.6814792E+01 Qxc -0.3986476E+01 3,-1 179 3 -1 -0.555038 1.729733 -2.730436 Rho 0.1527837E+00 |GRAD(Rho)| 0.2474847E-15 GRAD(Rho)x 0.9820161E-16 GRAD(Rho)y 0.2271675E-15 GRAD(Rho)z 0.2778268E-18 Laplacian 0.6566216E+00 (-1/4)Del**2(Rho)) -0.1641554E+00 Diamond 0.1358963E+01 Metallicity 0.4582401E+01 Ellipticity 0.1973441E-01 Gb(Abramov) 0.2348079E+00 Vb(Abramov) -0.3054604E+00 Hb(Abramov) -0.7065251E-01 Ex_ueg -0.6032367E-01 Ec_ueg -0.8621949E-02 Delta_ex -0.7082125E-01 Delta_ec 0.1655966E-01 Delta_et -0.2209426E+00 Pxc 0.6996524E+01 Qxc -0.4276732E+01 3,-1 180 3 -1 -0.799771 -3.441319 -1.305180 Rho 0.3130889E+00 |GRAD(Rho)| 0.3364944E-15 GRAD(Rho)x -0.1620374E-17 GRAD(Rho)y 0.1592083E-15 GRAD(Rho)z -0.2964432E-15 Laplacian -0.1611937E+01 (-1/4)Del**2(Rho)) 0.4029842E+00 Diamond 0.5490159E+01 Metallicity -0.6171318E+01 Ellipticity 0.2034289E-02 Gb(Abramov) 0.1458345E+00 Vb(Abramov) -0.6946533E+00 Hb(Abramov) -0.5488188E+00 Ex_ueg -0.1570153E+00 Ec_ueg -0.1963811E-01 Delta_ex 0.1591407E+00 Delta_ec 0.5625736E-01 Delta_et -0.1323423E+01 Pxc 0.7995440E+01 Qxc 0.2828797E+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 89 133 154 88 144 135 84 165 172 114 136 179 157 166 167 159 143 156 158 173 131 160 93 117 115 138 116 137 120 151 148 100 147 119 170 122 171 123 124 163 106 103 111 102 63 169 55 104 141 152 153 56 140 168 164 59 142 57 176 145 178 175 96 150 162 174 161 97 177 149 77 80 91 65 90 70 125 85 134 180 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 18 21 21 22 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 20 36 52 24 27 52 53 53 2.363031 1.949011 1.895649 1.949196 1.935486 1.743067 1.658283 1.640147 1.653655 1.663660 2.307826 1.902939 1.918300 1.977607 1.956388 1.745168 2.363486 1.931558 1.949759 1.946554 1.900803 1.744775 2.371094 1.946800 1.803091 2.090614 1.969286 1.750312 2.491434 1.924548 1.920691 1.944252 1.950406 1.731674 2.361427 1.810580 1.955451 1.966569 2.040642 1.750148 2.281878 1.956348 1.977266 1.909614 1.931163 1.743837 2.251472 2.228711 1.958094 1.984036 1.752233 1.760417 2.374642 1.925310 1.922618 1.936995 1.951585 1.742445 2.433065 1.943238 1.958982 1.872551 1.944715 1.743362 2.412440 1.929575 1.918816 1.956479 1.931611 1.743434 3.280712 3.110146 3.240948 3.152288 1.004467 3.209857 3.203274 1.705945 1.755288 1.002721 2.363676 1.949382 1.896065 1.949789 1.936020 1.743074 1.658293 1.640215 1.653667 1.663666 2.308442 1.903285 1.918730 1.978141 1.956897 1.745180 2.364180 1.931934 1.950140 1.947036 1.901310 1.744786 2.371737 1.947112 1.803195 2.091105 1.969823 1.750327 2.492006 1.925088 1.921262 1.944972 1.951135 1.731690 2.361960 1.810916 1.955773 1.967085 2.041143 1.750161 2.282693 1.956798 1.977655 1.910157 1.932250 1.743855 2.252334 2.229028 1.958482 1.984584 1.752239 1.760443 2.375290 1.925717 1.923018 1.937540 1.952154 1.742452 2.433702 1.943651 1.959354 1.873004 1.945246 1.743373 2.413003 1.930033 1.920065 1.956983 1.932171 1.743440 3.356340 3.111828 3.245831 3.156785 1.004560 3.215124 3.207753 1.712037 1.756636 1.002833 27 25 23 26 23 22 24 20 20 24 27 23 23 23 23 21 27 23 23 23 25 23 30 23 22 27 23 23 29 23 23 23 23 24 27 25 25 26 27 22 27 25 25 23 23 22 27 26 25 23 21 23 27 23 23 23 26 21 27 23 23 24 27 21 27 23 25 23 24 22 37 33 35 35 18 35 35 28 24 20 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W Si W W W Mo W W W W W 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 2.4716 2.4325 2.4685 2.4784 2.4130 2.3271 2.4449 2.4751 2.3941 2.4655 2.4637 2.4508 -1.1664 -1.1220 -1.1597 -1.1707 -0.9586 -0.9727 -0.9103 -0.9296 -0.7743 -0.9622 -0.9755 -0.9583 -0.9633 -0.9620 -0.9266 -0.9031 -0.9635 -0.9876 -0.9356 -0.9770 -0.9744 -0.9703 -0.9722 -0.7987 -0.7978 -0.9726 -0.9812 -0.9357 -0.8003 -0.8015 -0.7997 -0.8059 -0.8208 -0.7227 -0.8211 -0.7953 -0.8391 -0.7993 -0.8049 0.2889 0.3188 2.0978 2.3080 2.1010 2.0931 2.1222 1.9595 2.1055 2.1195 2.1356 2.0999 2.0973 2.1025 1.8958 1.8965 1.8957 1.8948 1.9327 1.9314 1.9451 1.9364 1.8777 1.9327 1.9314 1.9324 1.9323 1.9316 1.9368 1.9564 1.9442 1.9422 1.9441 1.9425 1.9419 1.9441 1.9422 1.9589 1.8779 1.9431 1.9419 1.9447 1.9640 1.9622 1.9638 1.9622 1.9605 1.9754 1.9608 1.9634 1.9560 1.9643 1.9630 0.5505 0.5297 6.0959 6.6698 6.0983 6.0888 6.1094 6.0809 6.0954 6.0977 6.0958 6.0971 6.0937 6.1097 5.2421 5.1979 5.2359 5.2466 4.9962 5.0110 4.9339 4.9649 4.8649 5.0006 5.0138 4.9956 5.0006 4.9993 4.9615 4.9138 4.9884 5.0119 4.9618 5.0020 5.0000 4.9944 4.9974 4.8063 4.8888 4.9988 5.0071 4.9610 4.8015 4.8046 4.8013 4.8092 4.8268 4.7144 4.8267 4.7974 4.8510 4.8002 4.8071 0.1606 0.1515 3.3046 0.5897 3.3021 3.3097 3.3262 3.6326 3.3245 3.2779 3.3457 3.3076 3.3157 3.3074 0.0285 0.0276 0.0281 0.0293 0.0297 0.0304 0.0313 0.0283 0.0317 0.0289 0.0303 0.0303 0.0304 0.0311 0.0283 0.0329 0.0310 0.0335 0.0298 0.0325 0.0325 0.0318 0.0326 0.0336 0.0310 0.0307 0.0322 0.0299 0.0348 0.0346 0.0346 0.0345 0.0336 0.0329 0.0336 0.0345 0.0321 0.0349 0.0348 0.0000 0.0000 14.0301 0.0000 14.0302 14.0300 14.0292 0.0000 14.0297 14.0299 14.0288 14.0299 14.0297 14.0296 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W Si W W W Mo W W W W W 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 2.518109 1.772154 2.522238 2.515408 2.491554 3.182650 2.497948 2.539092 2.497393 2.514987 2.510649 2.515907 -1.067757 -1.021165 -1.100553 -1.070771 -0.959765 -0.965346 -0.935645 -1.078923 -0.625149 -0.966164 -0.960149 -0.961480 -0.965273 -0.958303 -1.079907 -0.767898 -0.956053 -0.952867 -1.067408 -0.957089 -0.956215 -0.947023 -0.955105 -0.844771 -0.618812 -0.961226 -0.959108 -1.063399 -0.835242 -0.841711 -0.834974 -0.843407 -0.864175 -0.993022 -0.862665 -0.828847 -0.883675 -0.834245 -0.841246 0.049209 0.059235 1.931807 1.358556 1.940803 1.938382 1.907711 2.359987 1.925191 1.956205 1.942144 1.932848 1.937557 1.943406 -0.748657 -0.719129 -0.798262 -0.748397 -0.715859 -0.727182 -0.732065 -0.819826 -0.758233 -0.720164 -0.704415 -0.722075 -0.723654 -0.712939 -0.821372 -0.633323 -0.799146 -0.777083 -0.863643 -0.789321 -0.784446 -0.767371 -0.786749 -0.746336 -0.788243 -0.802696 -0.787727 -0.867714 -0.741126 -0.732059 -0.736303 -0.747326 -0.772250 -0.776121 -0.767314 -0.724495 -0.801277 -0.739261 -0.744130 0.286652 0.286440 2.034836 1.306139 2.041412 2.040953 2.002279 2.451692 2.021033 2.061251 2.024007 2.035674 2.041113 2.043745 -0.799398 -0.784054 -0.838341 -0.806348 -0.800378 -0.807819 -0.787980 -0.894786 -0.790512 -0.805110 -0.792680 -0.792947 -0.796603 -0.815095 -0.896111 -0.738875 -0.825457 -0.804908 -0.911068 -0.828121 -0.817876 -0.816898 -0.818439 -0.735919 -0.807857 -0.830293 -0.831304 -0.907776 -0.705609 -0.707651 -0.698867 -0.715056 -0.740901 -0.736791 -0.734881 -0.705429 -0.786386 -0.704438 -0.712261 0.358419 0.368671 3.90020587 -1.36673793 0.17697136 4.13653203 -15.02806970 7.58564251 -9.90125073 13.54026099 11.20485176 1.48780871 -385.3152 408.0693 -41.4141 -402.0592 -42.7752 -463.4945 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 0 Apr21-2024 01:41:25 Nodes: 1 Procs: 1 Apr21-2024 01:41:26 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr21-2024 01:41:26 Nodes: 1 Procs: 1 Apr21-2024 01:41:27 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Apr21-2024 01:41:27 Nodes: 1 Procs: 1 Apr21-2024 01:41:28 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr21-2024 01:41:28 Nodes: 1 Procs: 1 Apr21-2024 01:41:29 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr21-2024 01:41:31 Nodes: 1 Procs: 28 *** (NO TITLE) *** -6 -16.46531603 -16.87240970 -16.76197457 -16.73034755 -16.90021021 -16.97405644 -17.00340797 -17.00743706 -17.00923113 -17.01022288 -17.01359745 -17.01596348 -17.01853513 -17.02254055 -17.02462701 -17.02739849 -17.02893009 -17.03095893 -17.03189994 -17.03248579 -17.03266821 -17.03296743 -17.03302182 -17.03307489 -17.03308990 -17.03310418 -17.03310954 GEOMETRY CONVERGED