ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 1.93 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:15 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.04 1.39 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:15 Nodes: 1 Procs: 1 Jun10-2024 15:28:19 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:23 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.08 0.04 2.05 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:15 Nodes: 1 Procs: 1 Jun10-2024 15:28:19 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:36 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 1.03 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:15 Nodes: 1 Procs: 1 Jun10-2024 15:28:19 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:28:46 Hydrogen (TZP) c10-31 c10-31 c10-31 c10-31 c10-31 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.05 2.23 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 15:28:09 Nodes: 1 Procs: 1 Jun10-2024 15:28:11 Nodes: 1 Procs: 1 0 Jun10-2024 15:28:15 Nodes: 1 Procs: 1 Jun10-2024 15:28:19 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 15:28:23 Nodes: 1 Procs: 1 Jun10-2024 15:28:29 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 15:28:36 Nodes: 1 Procs: 1 Jun10-2024 15:28:40 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 15:28:46 Nodes: 1 Procs: 1 Jun10-2024 15:28:51 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 15:29:19 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2369.538200000002 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Mo ADF 2019.304 Jun10-2024 15:28:29 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun10-2024 15:28:19 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun10-2024 15:28:51 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun10-2024 15:28:40 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun10-2024 15:28:11 1 1 Hydrogen TZP 1 1 -15.90438151 0.25539426 0.00100000 F 0.09840057 0.00066667 F 0.25539426 0.09840057 0.29936750 0.01000000 F 0.07118724 0.00666667 F Cartesian 2369.538200000002 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245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -7.068 -6.968 -6.945 -6.918 -6.881 -6.859 -6.851 -6.772 -6.598 -6.577 -4.255 -4.063 -3.803 -3.717 -3.574 -3.356 -3.243 -3.225 -3.191 -3.127 A A A A A A A A A A A A A A A A A A A A 0.00000000073145 0.00041266230771 0.00027236527497 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 42 42 42 42 33 74 74 74 74 74 74 74 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 1 0.081403 -2.578917 2.583620 -0.063559 2.547982 2.575327 2.589963 -0.196574 2.549434 2.537450 0.070337 -2.571391 -0.081747 -0.077148 -0.024879 0.047512 2.496108 -2.546380 2.428523 -2.646306 0.018781 2.511104 2.517945 -0.108193 -2.551108 2.542719 0.152067 -2.625836 -2.560234 -0.058028 -2.615994 -0.157290 -2.512990 -2.526141 0.131421 2.601039 0.935407 -1.044964 0.939727 -1.089763 -1.043771 -0.976895 0.901600 0.936438 -0.981888 -0.987039 0.951880 1.002411 -2.995905 -1.139709 1.186414 2.969007 -1.201331 -1.149577 -2.989105 1.106111 -1.104389 2.954053 1.168738 1.157868 1.137709 -1.246311 -3.040618 1.145929 1.198340 3.002141 -1.222994 1.153466 -2.985511 -1.156713 -1.106641 3.066281 -1.173538 3.008440 -1.149354 -1.218529 -3.012721 1.282463 1.111988 3.048959 1.107423 1.150569 -3.178011 -1.123989 3.400627 -1.510869 1.535883 -3.462856 -1.609709 -1.522144 3.378054 1.470707 -1.506494 -3.436875 1.501341 1.528695 1.478521 -1.455778 3.459798 1.463820 1.415755 -3.430958 -1.545075 1.566446 3.437078 -1.598634 -1.342149 -3.632986 -1.596082 -3.708077 -1.202586 -1.540178 3.412271 1.512122 1.519103 -3.416517 1.607558 1.495315 3.346308 -1.563612 -0.213522 -3.720930 3.836084 3.759634 -0.228109 -3.746762 -0.241716 3.686668 -3.769160 0.244933 3.774079 3.744179 3.712323 -3.801801 -0.188206 3.716146 3.727264 0.177840 -3.769679 3.722935 -0.193637 -3.903071 -3.662599 0.323330 -3.906337 0.193503 -3.611444 -3.738599 -0.184052 3.797135 3.770326 0.185502 3.744417 -0.613825 -1.319595 -3.444443 -0.617642 -3.503409 -1.231139 1.117246 -2.019146 -2.399160 1 3 -3 0.081403 -2.578917 2.583620 Rho 0.1240648E+06 3,-3 2 3 -3 -0.063559 2.547982 2.575327 Rho 0.1240648E+06 3,-3 3 3 -3 2.589963 -0.196574 2.549434 Rho 0.1240649E+06 3,-3 4 3 -3 2.537450 0.070337 -2.571391 Rho 0.1240649E+06 3,-3 5 3 -3 -0.081747 -0.077148 -0.024879 Rho 0.4276082E+05 3,-3 6 3 -3 0.047512 2.496108 -2.546380 Rho 0.4361414E+07 3,-3 7 3 -3 2.428523 -2.646306 0.018781 Rho 0.4361414E+07 3,-3 8 3 -3 2.511104 2.517945 -0.108193 Rho 0.4361414E+07 3,-3 9 3 -3 -2.551108 2.542719 0.152067 Rho 0.4361414E+07 3,-3 10 3 -3 -2.625836 -2.560234 -0.058028 Rho 0.4361414E+07 3,-3 11 3 -3 -2.615994 -0.157290 -2.512990 Rho 0.4361414E+07 3,-3 12 3 -3 -2.526141 0.131421 2.601039 Rho 0.4361414E+07 3,-3 13 3 -3 0.935407 -1.044964 0.939727 Rho 0.3190291E+03 3,-3 14 3 -3 -1.089763 -1.043771 -0.976895 Rho 0.3190779E+03 3,-3 15 3 -3 0.901600 0.936438 -0.981888 Rho 0.3190139E+03 3,-3 16 3 -3 -0.987039 0.951880 1.002411 Rho 0.3190021E+03 3,-3 17 3 -3 -2.995905 -1.139709 1.186414 Rho 0.3188814E+03 3,-3 18 3 -3 2.969007 -1.201331 -1.149577 Rho 0.3189180E+03 3,-3 19 3 -3 -2.989105 1.106111 -1.104389 Rho 0.3188785E+03 3,-3 20 3 -3 2.954053 1.168738 1.157868 Rho 0.3189329E+03 3,-3 21 3 -3 1.137709 -1.246311 -3.040618 Rho 0.3187731E+03 3,-3 22 3 -3 1.145929 1.198340 3.002141 Rho 0.3190613E+03 3,-3 23 3 -3 -1.222994 1.153466 -2.985511 Rho 0.3188772E+03 3,-3 24 3 -3 -1.156713 -1.106641 3.066281 Rho 0.3189427E+03 3,-3 25 3 -3 -1.173538 3.008440 -1.149354 Rho 0.3188694E+03 3,-3 26 3 -3 -1.218529 -3.012721 1.282463 Rho 0.3189702E+03 3,-3 27 3 -3 1.111988 3.048959 1.107423 Rho 0.3189416E+03 3,-3 28 3 -3 1.150569 -3.178011 -1.123989 Rho 0.3191737E+03 3,-3 29 3 -3 3.400627 -1.510869 1.535883 Rho 0.3191405E+03 3,-3 30 3 -3 -3.462856 -1.609709 -1.522144 Rho 0.3189483E+03 3,-3 31 3 -3 3.378054 1.470707 -1.506494 Rho 0.3190430E+03 3,-3 32 3 -3 -3.436875 1.501341 1.528695 Rho 0.3189731E+03 3,-3 33 3 -3 1.478521 -1.455778 3.459798 Rho 0.3191000E+03 3,-3 34 3 -3 1.463820 1.415755 -3.430958 Rho 0.3190486E+03 3,-3 35 3 -3 -1.545075 1.566446 3.437078 Rho 0.3190300E+03 3,-3 36 3 -3 -1.598634 -1.342149 -3.632986 Rho 0.3187593E+03 3,-3 37 3 -3 -1.596082 -3.708077 -1.202586 Rho 0.3187522E+03 3,-3 38 3 -3 -1.540178 3.412271 1.512122 Rho 0.3190376E+03 3,-3 39 3 -3 1.519103 -3.416517 1.607558 Rho 0.3190373E+03 3,-3 40 3 -3 1.495315 3.346308 -1.563612 Rho 0.3189771E+03 3,-3 41 3 -3 -0.213522 -3.720930 3.836084 Rho 0.3195126E+03 3,-3 42 3 -3 3.759634 -0.228109 -3.746762 Rho 0.3194985E+03 3,-3 43 3 -3 -0.241716 3.686668 -3.769160 Rho 0.3193675E+03 3,-3 44 3 -3 0.244933 3.774079 3.744179 Rho 0.3195013E+03 3,-3 45 3 -3 3.712323 -3.801801 -0.188206 Rho 0.3193280E+03 3,-3 46 3 -3 3.716146 3.727264 0.177840 Rho 0.3193651E+03 3,-3 47 3 -3 -3.769679 3.722935 -0.193637 Rho 0.3193637E+03 3,-3 48 3 -3 -3.903071 -3.662599 0.323330 Rho 0.3193734E+03 3,-3 49 3 -3 -3.906337 0.193503 -3.611444 Rho 0.3193683E+03 3,-3 50 3 -3 -3.738599 -0.184052 3.797135 Rho 0.3193621E+03 3,-3 51 3 -3 3.770326 0.185502 3.744417 Rho 0.3194988E+03 3,-3 52 3 -3 -0.613825 -1.319595 -3.444443 Rho 0.4336460E+00 3,-3 53 3 -3 -0.617642 -3.503409 -1.231139 Rho 0.4359653E+00 3,-3 54 3 -3 1.117246 -2.019146 -2.399160 Rho 0.4367858E+00 3,-3 55 3 +1 -1.687627 -0.536145 0.578068 Rho 0.9959206E-02 |GRAD(Rho)| 0.7998338E-15 GRAD(Rho)x 0.4752965E-15 GRAD(Rho)y 0.6334902E-15 GRAD(Rho)z 0.1118814E-15 Laplacian 0.3835580E-01 (-1/4)Del**2(Rho)) -0.9588949E-02 Diamond 0.1253577E-02 Metallicity 0.8282409E+00 Ellipticity -0.1527827E+01 Gb(Abramov) 0.7716293E-02 Vb(Abramov) -0.5843636E-02 Hb(Abramov) 0.1872657E-02 Ex_ueg -0.1582528E-02 Ec_ueg -0.3661979E-03 Delta_ex -0.1818863E-02 Delta_ec 0.5394811E-03 Delta_et -0.3828577E-02 Pxc 0.4321509E+01 Qxc -0.3371504E+01 3,+1 56 3 +1 -2.260133 -1.284463 -1.226176 Rho 0.3152032E-01 |GRAD(Rho)| 0.1300296E-16 GRAD(Rho)x 0.1261821E-16 GRAD(Rho)y -0.1519915E-17 GRAD(Rho)z 0.2747280E-17 Laplacian 0.1341959E+00 (-1/4)Del**2(Rho)) -0.3354898E-01 Diamond 0.2638288E-01 Metallicity 0.1615071E+01 Ellipticity -0.9119734E+01 Gb(Abramov) 0.3139665E-01 Vb(Abramov) -0.2924432E-01 Hb(Abramov) 0.2152332E-02 Ex_ueg -0.7353699E-02 Ec_ueg -0.1422290E-02 Delta_ex -0.9060968E-02 Delta_ec 0.2594512E-02 Delta_et -0.2419562E-01 Pxc 0.5170322E+01 Qxc -0.3492360E+01 3,+1 57 3 -1 -3.046850 -0.929143 -1.974997 Rho 0.1398229E+00 |GRAD(Rho)| 0.1330341E-15 GRAD(Rho)x -0.1305447E-15 GRAD(Rho)y 0.1500265E-16 GRAD(Rho)z 0.2076247E-16 Laplacian 0.5465640E+00 (-1/4)Del**2(Rho)) -0.1366410E+00 Diamond 0.1027129E+01 Metallicity 0.4749008E+01 Ellipticity 0.4313697E-01 Gb(Abramov) 0.1992455E+00 Vb(Abramov) -0.2618501E+00 Hb(Abramov) -0.6260453E-01 Ex_ueg -0.5359896E-01 Ec_ueg -0.7795253E-02 Delta_ex -0.5779564E-01 Delta_ec 0.1428810E-01 Delta_et -0.1886464E+00 Pxc 0.6875845E+01 Qxc -0.4045018E+01 3,-1 58 3 -1 -3.314257 0.031243 -3.107222 Rho 0.2482362E+00 |GRAD(Rho)| 0.4079700E-12 GRAD(Rho)x 0.3049269E-12 GRAD(Rho)y -0.8446396E-13 GRAD(Rho)z 0.2575364E-12 Laplacian 0.9200224E+00 (-1/4)Del**2(Rho)) -0.2300056E+00 Diamond 0.3364707E+01 Metallicity 0.7343839E+01 Ellipticity 0.2063641E-02 Gb(Abramov) 0.4348577E+00 Vb(Abramov) -0.6397099E+00 Hb(Abramov) -0.2048521E+00 Ex_ueg -0.1152228E+00 Ec_ueg -0.1501031E-01 Delta_ex -0.1120209E+00 Delta_ec 0.1990170E-01 Delta_et -0.2749406E+00 Pxc 0.7676243E+01 Qxc -0.5628709E+01 3,-1 59 3 +1 -2.899791 0.196761 0.251472 Rho 0.5897485E-02 |GRAD(Rho)| 0.1502873E-16 GRAD(Rho)x 0.1608500E-17 GRAD(Rho)y -0.8800414E-17 GRAD(Rho)z 0.1207593E-16 Laplacian 0.2470714E-01 (-1/4)Del**2(Rho)) -0.6176786E-02 Diamond 0.6123975E-03 Metallicity 0.5369106E+00 Ellipticity -0.1908866E+01 Gb(Abramov) 0.4670588E-02 Vb(Abramov) -0.3164389E-02 Hb(Abramov) 0.1506198E-02 Ex_ueg -0.7869386E-03 Ec_ueg -0.1857374E-03 Delta_ex -0.1188927E-02 Delta_ec 0.6356282E-03 Delta_et -0.3683455E-02 Pxc 0.4236835E+01 Qxc -0.1870476E+01 3,+1 60 3 +1 2.150263 -1.372147 1.113465 Rho 0.2640515E-01 |GRAD(Rho)| 0.5486027E-16 GRAD(Rho)x -0.5338544E-16 GRAD(Rho)y 0.6684174E-17 GRAD(Rho)z -0.1072218E-16 Laplacian 0.1058244E+00 (-1/4)Del**2(Rho)) -0.2645609E-01 Diamond 0.1596911E-01 Metallicity 0.1524668E+01 Ellipticity -0.5718933E+01 Gb(Abramov) 0.2436019E-01 Vb(Abramov) -0.2226428E-01 Hb(Abramov) 0.2095905E-02 Ex_ueg -0.5807243E-02 Ec_ueg -0.1159718E-02 Delta_ex -0.6784332E-02 Delta_ec 0.1984337E-02 Delta_et -0.1771468E-01 Pxc 0.5007459E+01 Qxc -0.3418942E+01 3,+1 61 3 +1 -2.851293 -0.260163 -0.198156 Rho 0.5931280E-02 |GRAD(Rho)| 0.8434616E-17 GRAD(Rho)x -0.2560235E-17 GRAD(Rho)y 0.5769163E-17 GRAD(Rho)z -0.5595061E-17 Laplacian 0.2452476E-01 (-1/4)Del**2(Rho)) -0.6131189E-02 Diamond 0.5959494E-03 Metallicity 0.5460795E+00 Ellipticity -0.1868155E+01 Gb(Abramov) 0.4645479E-02 Vb(Abramov) -0.3159769E-02 Hb(Abramov) 0.1485710E-02 Ex_ueg -0.7929571E-03 Ec_ueg -0.1872071E-03 Delta_ex -0.1169280E-02 Delta_ec 0.6089838E-03 Delta_et -0.3545567E-02 Pxc 0.4235720E+01 Qxc -0.1920051E+01 3,+1 62 3 +3 -2.344677 0.017431 0.076633 Rho 0.5285917E-02 |GRAD(Rho)| 0.7229402E-17 GRAD(Rho)x -0.1869132E-17 GRAD(Rho)y -0.4958876E-17 GRAD(Rho)z 0.4917331E-17 Laplacian 0.2185869E-01 (-1/4)Del**2(Rho)) -0.5464674E-02 Diamond 0.2358432E-03 Metallicity 0.5056572E+00 Ellipticity -0.3942675E+00 Gb(Abramov) 0.4103658E-02 Vb(Abramov) -0.2742642E-02 Hb(Abramov) 0.1361016E-02 Ex_ueg -0.6800573E-03 Ec_ueg -0.1592376E-03 Delta_ex -0.8282833E-03 Delta_ec 0.2057511E-03 Delta_et -0.1330035E-02 Pxc 0.4270707E+01 Qxc -0.4025657E+01 3,+3 63 3 -1 -2.760295 -0.542737 1.845705 Rho 0.1335908E+00 |GRAD(Rho)| 0.5782422E-16 GRAD(Rho)x 0.2749469E-16 GRAD(Rho)y -0.4210770E-16 GRAD(Rho)z 0.2854162E-16 Laplacian 0.5590323E+00 (-1/4)Del**2(Rho)) -0.1397581E+00 Diamond 0.9906775E+00 Metallicity 0.4303322E+01 Ellipticity 0.1425840E-01 Gb(Abramov) 0.1934094E+00 Vb(Abramov) -0.2470607E+00 Hb(Abramov) -0.5365132E-01 Ex_ueg -0.5043753E-01 Ec_ueg -0.7401516E-02 Delta_ex -0.5841999E-01 Delta_ec 0.1469469E-01 Delta_et -0.1924736E+00 Pxc 0.6814487E+01 Qxc -0.3975586E+01 3,-1 64 3 -1 -2.898584 -0.042100 0.016420 Rho 0.6036223E-02 |GRAD(Rho)| 0.1378599E-16 GRAD(Rho)x 0.1322070E-16 GRAD(Rho)y 0.3900084E-17 GRAD(Rho)z -0.2366004E-18 Laplacian 0.2406853E-01 (-1/4)Del**2(Rho)) -0.6017133E-02 Diamond 0.8298077E-03 Metallicity 0.5729355E+00 Ellipticity 0.1426409E+01 Gb(Abramov) 0.4585993E-02 Vb(Abramov) -0.3154854E-02 Hb(Abramov) 0.1431139E-02 Ex_ueg -0.8117185E-03 Ec_ueg -0.1917747E-03 Delta_ex -0.1318662E-02 Delta_ec 0.8955080E-03 Delta_et -0.5091579E-02 Pxc 0.4232667E+01 Qxc -0.1472529E+01 3,-1 65 3 +1 -1.057262 2.155651 1.420385 Rho 0.2684558E-01 |GRAD(Rho)| 0.6995854E-15 GRAD(Rho)x 0.6849055E-15 GRAD(Rho)y 0.1425627E-15 GRAD(Rho)z -0.1457079E-18 Laplacian 0.1060320E+00 (-1/4)Del**2(Rho)) -0.2650800E-01 Diamond 0.1424613E-01 Metallicity 0.1564219E+01 Ellipticity -0.2833690E+01 Gb(Abramov) 0.2458272E-01 Vb(Abramov) -0.2265744E-01 Hb(Abramov) 0.1925282E-02 Ex_ueg -0.5936750E-02 Ec_ueg -0.1182078E-02 Delta_ex -0.6617787E-02 Delta_ec 0.1613993E-02 Delta_et -0.1452921E-01 Pxc 0.5022301E+01 Qxc -0.4100256E+01 3,+1 66 3 +3 -1.127412 1.117613 -1.096678 Rho 0.5515001E-02 |GRAD(Rho)| 0.1514544E-13 GRAD(Rho)x -0.3224974E-14 GRAD(Rho)y 0.6118375E-14 GRAD(Rho)z 0.1347403E-13 Laplacian 0.2147997E-01 (-1/4)Del**2(Rho)) -0.5369991E-02 Diamond 0.1675288E-03 Metallicity 0.5522752E+00 Ellipticity -0.2412853E+00 Gb(Abramov) 0.4074280E-02 Vb(Abramov) -0.2778568E-02 Hb(Abramov) 0.1295712E-02 Ex_ueg -0.7196354E-03 Ec_ueg -0.1691423E-03 Delta_ex -0.7593567E-03 Delta_ec 0.8872055E-04 Delta_et -0.7309398E-03 Pxc 0.4254616E+01 Qxc -0.8558972E+01 3,+3 67 3 -1 -2.767165 1.776254 -0.515514 Rho 0.1338773E+00 |GRAD(Rho)| 0.2452392E-15 GRAD(Rho)x 0.1948853E-16 GRAD(Rho)y 0.2364238E-15 GRAD(Rho)z 0.6217899E-16 Laplacian 0.5618516E+00 (-1/4)Del**2(Rho)) -0.1404629E+00 Diamond 0.9957033E+00 Metallicity 0.4297044E+01 Ellipticity 0.1339436E-01 Gb(Abramov) 0.1942378E+00 Vb(Abramov) -0.2480127E+00 Hb(Abramov) -0.5377491E-01 Ex_ueg -0.5058180E-01 Ec_ueg -0.7419561E-02 Delta_ex -0.5871562E-01 Delta_ec 0.1470871E-01 Delta_et -0.1926215E+00 Pxc 0.6817358E+01 Qxc -0.3991893E+01 3,-1 68 3 -1 -3.004714 1.976485 0.883201 Rho 0.1441495E+00 |GRAD(Rho)| 0.1524921E-15 GRAD(Rho)x -0.9115430E-16 GRAD(Rho)y -0.8359199E-16 GRAD(Rho)z -0.8920273E-16 Laplacian 0.5648430E+00 (-1/4)Del**2(Rho)) -0.1412107E+00 Diamond 0.1095782E+01 Metallicity 0.4834750E+01 Ellipticity 0.3885703E-01 Gb(Abramov) 0.2079269E+00 Vb(Abramov) -0.2746432E+00 Hb(Abramov) -0.6671620E-01 Ex_ueg -0.5582164E-01 Ec_ueg -0.8070057E-02 Delta_ex -0.6011773E-01 Delta_ec 0.1455802E-01 Delta_et -0.1928857E+00 Pxc 0.6917132E+01 Qxc -0.4129526E+01 3,-1 69 3 +1 -0.533882 -0.579575 1.682857 Rho 0.8705958E-02 |GRAD(Rho)| 0.5508492E-17 GRAD(Rho)x -0.2810819E-17 GRAD(Rho)y -0.3665037E-17 GRAD(Rho)z -0.3001713E-17 Laplacian 0.3372227E-01 (-1/4)Del**2(Rho)) -0.8430566E-02 Diamond 0.9127715E-03 Metallicity 0.7528770E+00 Ellipticity -0.1451619E+01 Gb(Abramov) 0.6678241E-02 Vb(Abramov) -0.4925915E-02 Hb(Abramov) 0.1752326E-02 Ex_ueg -0.1322738E-02 Ec_ueg -0.3097235E-03 Delta_ex -0.1543192E-02 Delta_ec 0.4706742E-03 Delta_et -0.3230297E-02 Pxc 0.4270706E+01 Qxc -0.3278685E+01 3,+1 70 3 +3 -0.077130 -0.105989 -2.351075 Rho 0.4143808E-02 |GRAD(Rho)| 0.6393148E-17 GRAD(Rho)x 0.5911480E-17 GRAD(Rho)y -0.2287153E-17 GRAD(Rho)z 0.8340758E-18 Laplacian 0.1662256E-01 (-1/4)Del**2(Rho)) -0.4155640E-02 Diamond 0.1288298E-03 Metallicity 0.4431811E+00 Ellipticity -0.2998210E+00 Gb(Abramov) 0.3077377E-02 Vb(Abramov) -0.1999114E-02 Hb(Abramov) 0.1078263E-02 Ex_ueg -0.4915690E-03 Ec_ueg -0.1102555E-03 Delta_ex -0.5918676E-03 Delta_ec 0.1563652E-03 Delta_et -0.9533749E-03 Pxc 0.4458454E+01 Qxc -0.3785161E+01 3,+3 71 3 +1 -1.683828 0.518025 -0.483029 Rho 0.1005530E-01 |GRAD(Rho)| 0.4160787E-14 GRAD(Rho)x 0.2604364E-14 GRAD(Rho)y -0.6422059E-15 GRAD(Rho)z 0.3180724E-14 Laplacian 0.3859965E-01 (-1/4)Del**2(Rho)) -0.9649913E-02 Diamond 0.1280879E-02 Metallicity 0.8362862E+00 Ellipticity -0.1540091E+01 Gb(Abramov) 0.7778290E-02 Vb(Abramov) -0.5906667E-02 Hb(Abramov) 0.1871623E-02 Ex_ueg -0.1602920E-02 Ec_ueg -0.3705560E-03 Delta_ex -0.1835921E-02 Delta_ec 0.5446588E-03 Delta_et -0.3873431E-02 Pxc 0.4325716E+01 Qxc -0.3370773E+01 3,+1 72 3 +1 0.279748 -1.757084 -1.526606 Rho 0.6385268E-02 |GRAD(Rho)| 0.6545932E-17 GRAD(Rho)x 0.4665856E-17 GRAD(Rho)y -0.1082478E-17 GRAD(Rho)z -0.4461755E-17 Laplacian 0.2526962E-01 (-1/4)Del**2(Rho)) -0.6317405E-02 Diamond 0.5598371E-03 Metallicity 0.5993029E+00 Ellipticity -0.1563603E+01 Gb(Abramov) 0.4842610E-02 Vb(Abramov) -0.3367815E-02 Hb(Abramov) 0.1474795E-02 Ex_ueg -0.8748976E-03 Ec_ueg -0.2070051E-03 Delta_ex -0.1144620E-02 Delta_ec 0.4857563E-03 Delta_et -0.2959515E-02 Pxc 0.4226454E+01 Qxc -0.2356366E+01 3,+1 73 3 -1 -2.797517 0.517534 -1.761327 Rho 0.1437385E+00 |GRAD(Rho)| 0.2767008E-13 GRAD(Rho)x 0.1566225E-14 GRAD(Rho)y -0.1886750E-13 GRAD(Rho)z -0.2017914E-13 Laplacian 0.6087319E+00 (-1/4)Del**2(Rho)) -0.1521830E+00 Diamond 0.1169259E+01 Metallicity 0.4464869E+01 Ellipticity 0.1349051E-01 Gb(Abramov) 0.2147015E+00 Vb(Abramov) -0.2772200E+00 Hb(Abramov) -0.6251852E-01 Ex_ueg -0.5560951E-01 Ec_ueg -0.8043898E-02 Delta_ex -0.6466342E-01 Delta_ec 0.1555668E-01 Delta_et -0.2057215E+00 Pxc 0.6913254E+01 Qxc -0.4156633E+01 3,-1 74 3 -1 -2.805137 -1.802244 0.607540 Rho 0.1451154E+00 |GRAD(Rho)| 0.8155525E-14 GRAD(Rho)x 0.2060018E-15 GRAD(Rho)y -0.6305584E-14 GRAD(Rho)z -0.5168148E-14 Laplacian 0.6143982E+00 (-1/4)Del**2(Rho)) -0.1535995E+00 Diamond 0.1193646E+01 Metallicity 0.4494545E+01 Ellipticity 0.1349027E-01 Gb(Abramov) 0.2174597E+00 Vb(Abramov) -0.2813198E+00 Hb(Abramov) -0.6386015E-01 Ex_ueg -0.5632091E-01 Ec_ueg -0.8131565E-02 Delta_ex -0.6541685E-01 Delta_ec 0.1566303E-01 Delta_et -0.2074102E+00 Pxc 0.6926208E+01 Qxc -0.4176513E+01 3,-1 75 3 +1 -1.761113 -1.726778 1.825970 Rho 0.1239479E-01 |GRAD(Rho)| 0.5631638E-17 GRAD(Rho)x -0.4890252E-17 GRAD(Rho)y 0.2478822E-17 GRAD(Rho)z 0.1286942E-17 Laplacian 0.6242205E-01 (-1/4)Del**2(Rho)) -0.1560551E-01 Diamond 0.2592479E-02 Metallicity 0.7328365E+00 Ellipticity -0.1247660E+01 Gb(Abramov) 0.1230972E-01 Vb(Abramov) -0.9013934E-02 Hb(Abramov) 0.3295789E-02 Ex_ueg -0.2118543E-02 Ec_ueg -0.4778244E-03 Delta_ex -0.3088478E-02 Delta_ec 0.7991943E-03 Delta_et -0.6048520E-02 Pxc 0.4433727E+01 Qxc -0.3864489E+01 3,+1 76 3 -1 -1.872320 0.536966 -2.748111 Rho 0.1297838E+00 |GRAD(Rho)| 0.8335952E-16 GRAD(Rho)x -0.5720522E-16 GRAD(Rho)y 0.3213304E-16 GRAD(Rho)z 0.5141829E-16 Laplacian 0.5380688E+00 (-1/4)Del**2(Rho)) -0.1345172E+00 Diamond 0.9248092E+00 Metallicity 0.4260655E+01 Ellipticity 0.2519032E-01 Gb(Abramov) 0.1852000E+00 Vb(Abramov) -0.2358829E+00 Hb(Abramov) -0.5068283E-01 Ex_ueg -0.4853025E-01 Ec_ueg -0.7162240E-02 Delta_ex -0.5588497E-01 Delta_ec 0.1432442E-01 Delta_et -0.1869006E+00 Pxc 0.6775848E+01 Qxc -0.3901378E+01 3,-1 77 3 +1 -0.591106 1.645267 -0.510424 Rho 0.8709854E-02 |GRAD(Rho)| 0.3535395E-14 GRAD(Rho)x 0.1367895E-14 GRAD(Rho)y 0.8903343E-15 GRAD(Rho)z -0.3136110E-14 Laplacian 0.3402493E-01 (-1/4)Del**2(Rho)) -0.8506231E-02 Diamond 0.8938650E-03 Metallicity 0.7467366E+00 Ellipticity -0.1408909E+01 Gb(Abramov) 0.6729473E-02 Vb(Abramov) -0.4952715E-02 Hb(Abramov) 0.1776758E-02 Ex_ueg -0.1323527E-02 Ec_ueg -0.3098980E-03 Delta_ex -0.1544965E-02 Delta_ec 0.4530197E-03 Delta_et -0.3127339E-02 Pxc 0.4270848E+01 Qxc -0.3410371E+01 3,+1 78 3 +1 -0.246960 2.944992 0.208011 Rho 0.5740486E-02 |GRAD(Rho)| 0.1686909E-12 GRAD(Rho)x 0.1554416E-12 GRAD(Rho)y 0.5084590E-13 GRAD(Rho)z -0.4134278E-13 Laplacian 0.2411676E-01 (-1/4)Del**2(Rho)) -0.6029190E-02 Diamond 0.5949169E-03 Metallicity 0.5258662E+00 Ellipticity -0.1974604E+01 Gb(Abramov) 0.4547885E-02 Vb(Abramov) -0.3066579E-02 Hb(Abramov) 0.1481306E-02 Ex_ueg -0.7591308E-03 Ec_ueg -0.1789168E-03 Delta_ex -0.1168231E-02 Delta_ec 0.6459533E-03 Delta_et -0.3701470E-02 Pxc 0.4242926E+01 Qxc -0.1808538E+01 3,+1 79 3 -1 -2.051807 -3.153548 -0.657712 Rho 0.1537756E+00 |GRAD(Rho)| 0.2879015E-15 GRAD(Rho)x 0.9871661E-16 GRAD(Rho)y 0.2173825E-16 GRAD(Rho)z -0.2695733E-15 Laplacian 0.5819822E+00 (-1/4)Del**2(Rho)) -0.1454955E+00 Diamond 0.1242496E+01 Metallicity 0.5226157E+01 Ellipticity 0.1189868E+00 Gb(Abramov) 0.2237275E+00 Vb(Abramov) -0.3019594E+00 Hb(Abramov) -0.7823191E-01 Ex_ueg -0.6084640E-01 Ec_ueg -0.8685642E-02 Delta_ex -0.6314683E-01 Delta_ec 0.1514582E-01 Delta_et -0.2034343E+00 Pxc 0.7005400E+01 Qxc -0.4169257E+01 3,-1 80 3 +1 -0.636770 -1.699030 0.569986 Rho 0.8795069E-02 |GRAD(Rho)| 0.2225857E-16 GRAD(Rho)x 0.1789575E-17 GRAD(Rho)y 0.1937756E-16 GRAD(Rho)z -0.1080516E-16 Laplacian 0.3337287E-01 (-1/4)Del**2(Rho)) -0.8343217E-02 Diamond 0.9256403E-03 Metallicity 0.7737815E+00 Ellipticity -0.1494319E+01 Gb(Abramov) 0.6638116E-02 Vb(Abramov) -0.4933015E-02 Hb(Abramov) 0.1705101E-02 Ex_ueg -0.1340821E-02 Ec_ueg -0.3137164E-03 Delta_ex -0.1535397E-02 Delta_ec 0.4733686E-03 Delta_et -0.3251121E-02 Pxc 0.4273989E+01 Qxc -0.3243556E+01 3,+1 81 3 +1 0.362969 -1.829635 -0.664993 Rho 0.7128656E-02 |GRAD(Rho)| 0.2760757E-15 GRAD(Rho)x 0.3403921E-16 GRAD(Rho)y 0.1792546E-15 GRAD(Rho)z 0.2071881E-15 Laplacian 0.2753025E-01 (-1/4)Del**2(Rho)) -0.6882563E-02 Diamond 0.7235152E-03 Metallicity 0.6609202E+00 Ellipticity -0.1727235E+01 Gb(Abramov) 0.5346513E-02 Vb(Abramov) -0.3810463E-02 Hb(Abramov) 0.1536050E-02 Ex_ueg -0.1013278E-02 Ec_ueg -0.2396371E-03 Delta_ex -0.1288272E-02 Delta_ec 0.5452857E-03 Delta_et -0.3415619E-02 Pxc 0.4228385E+01 Qxc -0.2362563E+01 3,+1 82 3 -1 -1.875720 -2.783696 0.650332 Rho 0.1218657E+00 |GRAD(Rho)| 0.2212585E-15 GRAD(Rho)x 0.3374579E-16 GRAD(Rho)y -0.1879160E-15 GRAD(Rho)z 0.1118219E-15 Laplacian 0.5032924E+00 (-1/4)Del**2(Rho)) -0.1258231E+00 Diamond 0.8011271E+00 Metallicity 0.4101368E+01 Ellipticity 0.2616740E-01 Gb(Abramov) 0.1698899E+00 Vb(Abramov) -0.2139566E+00 Hb(Abramov) -0.4406676E-01 Ex_ueg -0.4462317E-01 Ec_ueg -0.6667671E-02 Delta_ex -0.5147993E-01 Delta_ec 0.1357802E-01 Delta_et -0.1752430E+00 Pxc 0.6692468E+01 Qxc -0.3791417E+01 3,-1 83 3 -1 -1.818933 -1.759851 -0.502643 Rho 0.5278817E-01 |GRAD(Rho)| 0.4451955E-16 GRAD(Rho)x -0.3596417E-16 GRAD(Rho)y -0.1877194E-16 GRAD(Rho)z -0.1833530E-16 Laplacian 0.2115065E+00 (-1/4)Del**2(Rho)) -0.5287662E-01 Diamond 0.1149759E+00 Metallicity 0.2420196E+01 Ellipticity 0.1848417E-01 Gb(Abramov) 0.5657971E-01 Vb(Abramov) -0.6028280E-01 Hb(Abramov) -0.3703092E-02 Ex_ueg -0.1462516E-01 Ec_ueg -0.2569564E-02 Delta_ex -0.1763152E-01 Delta_ec 0.6267186E-02 Delta_et -0.6701437E-01 Pxc 0.5691689E+01 Qxc -0.2813306E+01 3,-1 84 3 -1 -1.733916 1.709336 0.566222 Rho 0.4809678E-01 |GRAD(Rho)| 0.5082431E-16 GRAD(Rho)x 0.1835182E-16 GRAD(Rho)y -0.1073826E-16 GRAD(Rho)z 0.4616287E-16 Laplacian 0.1935800E+00 (-1/4)Del**2(Rho)) -0.4839500E-01 Diamond 0.9170078E-01 Metallicity 0.2264363E+01 Ellipticity 0.1283010E-01 Gb(Abramov) 0.5052731E-01 Vb(Abramov) -0.5265962E-01 Hb(Abramov) -0.2132307E-02 Ex_ueg -0.1291833E-01 Ec_ueg -0.2309944E-02 Delta_ex -0.1571636E-01 Delta_ec 0.5657160E-02 Delta_et -0.5902206E-01 Pxc 0.5592486E+01 Qxc -0.2778136E+01 3,-1 85 3 -1 -1.816019 2.772438 -0.541364 Rho 0.1356027E+00 |GRAD(Rho)| 0.1131250E-15 GRAD(Rho)x -0.9185903E-16 GRAD(Rho)y 0.3284794E-16 GRAD(Rho)z 0.5727298E-16 Laplacian 0.5708343E+00 (-1/4)Del**2(Rho)) -0.1427086E+00 Diamond 0.1025120E+01 Metallicity 0.4320662E+01 Ellipticity 0.1040881E-01 Gb(Abramov) 0.1979050E+00 Vb(Abramov) -0.2531014E+00 Hb(Abramov) -0.5519639E-01 Ex_ueg -0.5145285E-01 Ec_ueg -0.7528350E-02 Delta_ex -0.5981465E-01 Delta_ec 0.1485340E-01 Delta_et -0.1948210E+00 Pxc 0.6834546E+01 Qxc -0.4027001E+01 3,-1 86 3 -1 -2.000285 2.989475 0.877226 Rho 0.1578290E+00 |GRAD(Rho)| 0.1522912E-12 GRAD(Rho)x -0.9017997E-13 GRAD(Rho)y -0.5800323E-13 GRAD(Rho)z -0.1081472E-12 Laplacian 0.6200358E+00 (-1/4)Del**2(Rho)) -0.1550090E+00 Diamond 0.1337673E+01 Metallicity 0.5122802E+01 Ellipticity 0.5172228E-01 Gb(Abramov) 0.2356860E+00 Vb(Abramov) -0.3163631E+00 Hb(Abramov) -0.8067705E-01 Ex_ueg -0.6299422E-01 Ec_ueg -0.8946550E-02 Delta_ex -0.6744541E-01 Delta_ec 0.1556588E-01 Delta_et -0.2087197E+00 Pxc 0.7041174E+01 Qxc -0.4332900E+01 3,-1 87 3 -1 -2.049643 -0.777855 -3.092955 Rho 0.1536632E+00 |GRAD(Rho)| 0.8139205E-12 GRAD(Rho)x -0.5446322E-12 GRAD(Rho)y 0.4728589E-12 GRAD(Rho)z 0.3771562E-12 Laplacian 0.5785436E+00 (-1/4)Del**2(Rho)) -0.1446359E+00 Diamond 0.1234524E+01 Metallicity 0.5250818E+01 Ellipticity 0.1200042E+00 Gb(Abramov) 0.2230001E+00 Vb(Abramov) -0.3013642E+00 Hb(Abramov) -0.7836416E-01 Ex_ueg -0.6078713E-01 Ec_ueg -0.8678424E-02 Delta_ex -0.6276685E-01 Delta_ec 0.1506684E-01 Delta_et -0.2023703E+00 Pxc 0.7004397E+01 Qxc -0.4165894E+01 3,-1 88 3 +1 -1.069916 1.398696 2.189846 Rho 0.2722809E-01 |GRAD(Rho)| 0.6958667E-16 GRAD(Rho)x 0.1816480E-16 GRAD(Rho)y -0.9306136E-17 GRAD(Rho)z -0.6652624E-16 Laplacian 0.1081240E+00 (-1/4)Del**2(Rho)) -0.2703101E-01 Diamond 0.1509434E-01 Metallicity 0.1570554E+01 Ellipticity -0.3048452E+01 Gb(Abramov) 0.2509628E-01 Vb(Abramov) -0.2316156E-01 Hb(Abramov) 0.1934726E-02 Ex_ueg -0.6049804E-02 Ec_ueg -0.1201536E-02 Delta_ex -0.6801629E-02 Delta_ec 0.1694386E-02 Delta_et -0.1529371E-01 Pxc 0.5035057E+01 Qxc -0.4014216E+01 3,+1 89 3 +1 0.022701 -2.999066 0.139766 Rho 0.4706137E-02 |GRAD(Rho)| 0.4742249E-14 GRAD(Rho)x 0.3338744E-14 GRAD(Rho)y 0.1417215E-14 GRAD(Rho)z 0.3055032E-14 Laplacian 0.1882291E-01 (-1/4)Del**2(Rho)) -0.4705728E-02 Diamond 0.4000528E-03 Metallicity 0.4838388E+00 Ellipticity -0.2801524E+01 Gb(Abramov) 0.3516621E-02 Vb(Abramov) -0.2327514E-02 Hb(Abramov) 0.1189107E-02 Ex_ueg -0.5824668E-03 Ec_ueg -0.1342887E-03 Delta_ex -0.9204228E-03 Delta_ec 0.5844863E-03 Delta_et -0.3120347E-02 Pxc 0.4337423E+01 Qxc -0.1574755E+01 3,+1 90 3 -1 -1.814652 -0.585966 -1.702924 Rho 0.5356015E-01 |GRAD(Rho)| 0.5806053E-14 GRAD(Rho)x -0.6806117E-15 GRAD(Rho)y -0.4463623E-14 GRAD(Rho)z 0.3650082E-14 Laplacian 0.2148329E+00 (-1/4)Del**2(Rho)) -0.5370823E-01 Diamond 0.1193095E+00 Metallicity 0.2441080E+01 Ellipticity 0.1699547E-01 Gb(Abramov) 0.5765650E-01 Vb(Abramov) -0.6160476E-01 Hb(Abramov) -0.3948267E-02 Ex_ueg -0.1491102E-01 Ec_ueg -0.2612590E-02 Delta_ex -0.1798252E-01 Delta_ec 0.6378903E-02 Delta_et -0.6846983E-01 Pxc 0.5707371E+01 Qxc -0.2819062E+01 3,-1 91 3 +3 -1.115540 -1.145082 1.183138 Rho 0.5448775E-02 |GRAD(Rho)| 0.9282014E-17 GRAD(Rho)x 0.1253596E-17 GRAD(Rho)y 0.7611605E-17 GRAD(Rho)z -0.5162146E-17 Laplacian 0.2111616E-01 (-1/4)Del**2(Rho)) -0.5279041E-02 Diamond 0.1613879E-03 Metallicity 0.5505917E+00 Ellipticity -0.1072673E+00 Gb(Abramov) 0.4003793E-02 Vb(Abramov) -0.2728546E-02 Hb(Abramov) 0.1275248E-02 Ex_ueg -0.7081364E-03 Ec_ueg -0.1662763E-03 Delta_ex -0.7434785E-03 Delta_ec 0.8634078E-04 Delta_et -0.7126386E-03 Pxc 0.4258794E+01 Qxc -0.8610978E+01 3,+3 92 3 -1 -1.792932 -0.532307 2.830519 Rho 0.1534722E+00 |GRAD(Rho)| 0.4949278E-15 GRAD(Rho)x -0.2517246E-15 GRAD(Rho)y 0.4249801E-15 GRAD(Rho)z -0.3130634E-16 Laplacian 0.6431257E+00 (-1/4)Del**2(Rho)) -0.1607814E+00 Diamond 0.1333362E+01 Metallicity 0.4713754E+01 Ellipticity 0.2026433E-01 Gb(Abramov) 0.2335016E+00 Vb(Abramov) -0.3062219E+00 Hb(Abramov) -0.7272022E-01 Ex_ueg -0.6068641E-01 Ec_ueg -0.8666156E-02 Delta_ex -0.6939545E-01 Delta_ec 0.1611695E-01 Delta_et -0.2149657E+00 Pxc 0.7002691E+01 Qxc -0.4305744E+01 3,-1 93 3 +1 -0.641638 0.493046 -1.643999 Rho 0.8940936E-02 |GRAD(Rho)| 0.1000521E-16 GRAD(Rho)x 0.5043542E-17 GRAD(Rho)y -0.3396734E-19 GRAD(Rho)z 0.8640940E-17 Laplacian 0.3420854E-01 (-1/4)Del**2(Rho)) -0.8552135E-02 Diamond 0.9633198E-03 Metallicity 0.7758603E+00 Ellipticity -0.1482844E+01 Gb(Abramov) 0.6807301E-02 Vb(Abramov) -0.5062466E-02 Hb(Abramov) 0.1744835E-02 Ex_ueg -0.1370553E-02 Ec_ueg -0.3202602E-03 Delta_ex -0.1577419E-02 Delta_ec 0.4798622E-03 Delta_et -0.3313956E-02 Pxc 0.4279497E+01 Qxc -0.3287233E+01 3,+1 94 3 -1 -1.721964 0.530969 1.762986 Rho 0.5057114E-01 |GRAD(Rho)| 0.1487492E-14 GRAD(Rho)x 0.7381062E-15 GRAD(Rho)y 0.1221666E-14 GRAD(Rho)z 0.4187650E-15 Laplacian 0.2045886E+00 (-1/4)Del**2(Rho)) -0.5114716E-01 Diamond 0.1043076E+00 Metallicity 0.2329357E+01 Ellipticity 0.1257893E-01 Gb(Abramov) 0.5395478E-01 Vb(Abramov) -0.5676239E-01 Hb(Abramov) -0.2807617E-02 Ex_ueg -0.1381196E-01 Ec_ueg -0.2446468E-02 Delta_ex -0.1684524E-01 Delta_ec 0.6018267E-02 Delta_et -0.6362703E-01 Pxc 0.5645673E+01 Qxc -0.2799018E+01 3,-1 95 3 -1 -1.992619 0.895094 3.028403 Rho 0.1483001E+00 |GRAD(Rho)| 0.1745161E-15 GRAD(Rho)x 0.8347001E-16 GRAD(Rho)y -0.2859583E-16 GRAD(Rho)z 0.1505686E-15 Laplacian 0.5828225E+00 (-1/4)Del**2(Rho)) -0.1457056E+00 Diamond 0.1169407E+01 Metallicity 0.4912611E+01 Ellipticity 0.4696259E-01 Gb(Abramov) 0.2164363E+00 Vb(Abramov) -0.2871669E+00 Hb(Abramov) -0.7073063E-01 Ex_ueg -0.5797492E-01 Ec_ueg -0.8334782E-02 Delta_ex -0.6245891E-01 Delta_ec 0.1490842E-01 Delta_et -0.1983231E+00 Pxc 0.6955781E+01 Qxc -0.4189506E+01 3,-1 96 3 +1 -0.302254 -1.154200 -2.320099 Rho 0.7918207E-02 |GRAD(Rho)| 0.1083575E-16 GRAD(Rho)x 0.5977282E-19 GRAD(Rho)y -0.3640749E-19 GRAD(Rho)z -0.1083553E-16 Laplacian 0.3216448E-01 (-1/4)Del**2(Rho)) -0.8041120E-02 Diamond 0.9893045E-03 Metallicity 0.6739299E+00 Ellipticity -0.1715995E+01 Gb(Abramov) 0.6263939E-02 Vb(Abramov) -0.4486757E-02 Hb(Abramov) 0.1777182E-02 Ex_ueg -0.1165613E-02 Ec_ueg -0.2745788E-03 Delta_ex -0.1549843E-02 Delta_ec 0.6503144E-03 Delta_et -0.4186728E-02 Pxc 0.4245093E+01 Qxc -0.2383221E+01 3,+1 97 3 +1 0.471793 1.677107 0.512077 Rho 0.8104788E-02 |GRAD(Rho)| 0.8720549E-17 GRAD(Rho)x 0.3291443E-17 GRAD(Rho)y 0.4695229E-17 GRAD(Rho)z 0.6570327E-17 Laplacian 0.3205613E-01 (-1/4)Del**2(Rho)) -0.8014032E-02 Diamond 0.7812684E-03 Metallicity 0.7029722E+00 Ellipticity -0.1394301E+01 Gb(Abramov) 0.6281628E-02 Vb(Abramov) -0.4549225E-02 Hb(Abramov) 0.1732404E-02 Ex_ueg -0.1202377E-02 Ec_ueg -0.2828777E-03 Delta_ex -0.1437804E-02 Delta_ec 0.4423660E-03 Delta_et -0.2984912E-02 Pxc 0.4250518E+01 Qxc -0.3250258E+01 3,+1 98 3 +1 0.085587 0.076433 -2.913618 Rho 0.4714323E-02 |GRAD(Rho)| 0.2036211E-17 GRAD(Rho)x 0.2689210E-18 GRAD(Rho)y 0.1712635E-17 GRAD(Rho)z -0.1068044E-17 Laplacian 0.1937780E-01 (-1/4)Del**2(Rho)) -0.4844450E-02 Diamond 0.3832284E-03 Metallicity 0.4713472E+00 Ellipticity -0.1989938E+01 Gb(Abramov) 0.3610203E-02 Vb(Abramov) -0.2375956E-02 Hb(Abramov) 0.1234247E-02 Ex_ueg -0.5838181E-03 Ec_ueg -0.1346398E-03 Delta_ex -0.9181637E-03 Delta_ec 0.5486736E-03 Delta_et -0.2952565E-02 Pxc 0.4336149E+01 Qxc -0.1673424E+01 3,+1 99 3 -1 -0.835403 -3.546503 -1.223610 Rho 0.3154838E+00 |GRAD(Rho)| 0.3541768E-13 GRAD(Rho)x -0.2951377E-13 GRAD(Rho)y 0.3837832E-14 GRAD(Rho)z 0.1919951E-13 Laplacian -0.1644125E+01 (-1/4)Del**2(Rho)) 0.4110312E+00 Diamond 0.5619301E+01 Metallicity -0.6127832E+01 Ellipticity 0.2263280E-02 Gb(Abramov) 0.1457675E+00 Vb(Abramov) -0.7025662E+00 Hb(Abramov) -0.5567987E+00 Ex_ueg -0.1586187E+00 Ec_ueg -0.1981346E-01 Delta_ex 0.1629237E+00 Delta_ec 0.5716876E-01 Delta_et -0.1349849E+01 Pxc 0.8005606E+01 Qxc 0.2849873E+01 3,-1 100 3 +1 1.611160 -0.559402 -0.577745 Rho 0.8653727E-02 |GRAD(Rho)| 0.9478901E-14 GRAD(Rho)x -0.3535261E-14 GRAD(Rho)y -0.3106976E-14 GRAD(Rho)z 0.8227892E-14 Laplacian 0.3372381E-01 (-1/4)Del**2(Rho)) -0.8430952E-02 Diamond 0.9085665E-03 Metallicity 0.7453299E+00 Ellipticity -0.1446747E+01 Gb(Abramov) 0.6667941E-02 Vb(Abramov) -0.4904931E-02 Hb(Abramov) 0.1763011E-02 Ex_ueg -0.1312168E-02 Ec_ueg -0.3073846E-03 Delta_ex -0.1542343E-02 Delta_ec 0.4732572E-03 Delta_et -0.3240923E-02 Pxc 0.4268813E+01 Qxc -0.3258996E+01 3,+1 101 3 +1 -1.771350 1.736845 -1.709590 Rho 0.1258790E-01 |GRAD(Rho)| 0.1494011E-16 GRAD(Rho)x 0.1090156E-17 GRAD(Rho)y -0.1132942E-16 GRAD(Rho)z -0.9677946E-17 Laplacian 0.6364388E-01 (-1/4)Del**2(Rho)) -0.1591097E-01 Diamond 0.2693740E-02 Metallicity 0.7375279E+00 Ellipticity -0.1249605E+01 Gb(Abramov) 0.1256311E-01 Vb(Abramov) -0.9215252E-02 Hb(Abramov) 0.3347859E-02 Ex_ueg -0.2162665E-02 Ec_ueg -0.4867759E-03 Delta_ex -0.3160191E-02 Delta_ec 0.8118504E-03 Delta_et -0.6169650E-02 Pxc 0.4442835E+01 Qxc -0.3892578E+01 3,+1 102 3 -1 -0.845755 2.019397 3.007976 Rho 0.1245574E+00 |GRAD(Rho)| 0.2997795E-15 GRAD(Rho)x -0.2446841E-15 GRAD(Rho)y -0.1568434E-15 GRAD(Rho)z 0.7346825E-16 Laplacian 0.4851762E+00 (-1/4)Del**2(Rho)) -0.1212941E+00 Diamond 0.7811134E+00 Metallicity 0.4412280E+01 Ellipticity 0.4214777E-01 Gb(Abramov) 0.1700599E+00 Vb(Abramov) -0.2188258E+00 Hb(Abramov) -0.4876587E-01 Ex_ueg -0.4594214E-01 Ec_ueg -0.6835320E-02 Delta_ex -0.4973671E-01 Delta_ec 0.1275525E-01 Delta_et -0.1647848E+00 Pxc 0.6721286E+01 Qxc -0.3899314E+01 3,-1 103 3 -1 -0.567971 -1.798427 2.821191 Rho 0.1186227E+00 |GRAD(Rho)| 0.7008131E-15 GRAD(Rho)x 0.4318987E-15 GRAD(Rho)y -0.5282978E-15 GRAD(Rho)z -0.1596996E-15 Laplacian 0.4913050E+00 (-1/4)Del**2(Rho)) -0.1228262E+00 Diamond 0.7436752E+00 Metallicity 0.4016753E+01 Ellipticity 0.5430926E-02 Gb(Abramov) 0.1641113E+00 Vb(Abramov) -0.2053963E+00 Hb(Abramov) -0.4128504E-01 Ex_ueg -0.4304694E-01 Ec_ueg -0.6466351E-02 Delta_ex -0.4974959E-01 Delta_ec 0.1301176E-01 Delta_et -0.1666176E+00 Pxc 0.6657067E+01 Qxc -0.3823433E+01 3,-1 104 3 -1 -0.602787 2.753164 -1.798314 Rho 0.1456880E+00 |GRAD(Rho)| 0.1967706E-15 GRAD(Rho)x 0.1531842E-15 GRAD(Rho)y -0.1494844E-16 GRAD(Rho)z 0.1225962E-15 Laplacian 0.6057632E+00 (-1/4)Del**2(Rho)) -0.1514408E+00 Diamond 0.1186033E+01 Metallicity 0.4588632E+01 Ellipticity 0.1056045E-01 Gb(Abramov) 0.2167782E+00 Vb(Abramov) -0.2821156E+00 Hb(Abramov) -0.6533741E-01 Ex_ueg -0.5661742E-01 Ec_ueg -0.8168057E-02 Delta_ex -0.6459682E-01 Delta_ec 0.1549415E-01 Delta_et -0.2054368E+00 Pxc 0.6931565E+01 Qxc -0.4169111E+01 3,-1 105 3 +1 0.173382 2.925070 -0.223579 Rho 0.5817667E-02 |GRAD(Rho)| 0.6880064E-11 GRAD(Rho)x -0.6669513E-11 GRAD(Rho)y 0.8055267E-12 GRAD(Rho)z -0.1484585E-11 Laplacian 0.2422380E-01 (-1/4)Del**2(Rho)) -0.6055949E-02 Diamond 0.6330815E-03 Metallicity 0.5353269E+00 Ellipticity -0.2306132E+01 Gb(Abramov) 0.4577618E-02 Vb(Abramov) -0.3099287E-02 Hb(Abramov) 0.1478331E-02 Ex_ueg -0.7727699E-03 Ec_ueg -0.1822683E-03 Delta_ex -0.1195400E-02 Delta_ec 0.6822471E-03 Delta_et -0.3909244E-02 Pxc 0.4239739E+01 Qxc -0.1752151E+01 3,+1 106 3 -1 -0.839647 2.981348 2.002833 Rho 0.1131965E+00 |GRAD(Rho)| 0.1706492E-15 GRAD(Rho)x 0.1394216E-15 GRAD(Rho)y -0.9834730E-16 GRAD(Rho)z 0.3252607E-17 Laplacian 0.4432608E+00 (-1/4)Del**2(Rho)) -0.1108152E+00 Diamond 0.6351930E+00 Metallicity 0.4117896E+01 Ellipticity 0.2712643E-01 Gb(Abramov) 0.1499310E+00 Vb(Abramov) -0.1890469E+00 Hb(Abramov) -0.3911584E-01 Ex_ueg -0.4044166E-01 Ec_ueg -0.6131158E-02 Delta_ex -0.4440135E-01 Delta_ec 0.1189346E-01 Delta_et -0.1510822E+00 Pxc 0.6596088E+01 Qxc -0.3733256E+01 3,-1 107 3 -1 -0.518302 1.717274 1.755348 Rho 0.4163855E-01 |GRAD(Rho)| 0.1430291E-15 GRAD(Rho)x -0.4714278E-16 GRAD(Rho)y -0.1349912E-15 GRAD(Rho)z -0.3499728E-17 Laplacian 0.1735910E+00 (-1/4)Del**2(Rho)) -0.4339776E-01 Diamond 0.7018800E-01 Metallicity 0.1985692E+01 Ellipticity 0.9792140E-02 Gb(Abramov) 0.4329426E-01 Vb(Abramov) -0.4319077E-01 Hb(Abramov) 0.1034914E-03 Ex_ueg -0.1065890E-01 Ec_ueg -0.1958184E-02 Delta_ex -0.1373594E-01 Delta_ec 0.5333485E-02 Delta_et -0.5360292E-01 Pxc 0.5443260E+01 Qxc -0.2575415E+01 3,-1 108 3 +1 0.189805 -0.149001 2.967979 Rho 0.5254149E-02 |GRAD(Rho)| 0.2131532E-15 GRAD(Rho)x 0.1577338E-15 GRAD(Rho)y -0.1341386E-15 GRAD(Rho)z 0.5060799E-16 Laplacian 0.2170064E-01 (-1/4)Del**2(Rho)) -0.5425160E-02 Diamond 0.4885708E-03 Metallicity 0.5042485E+00 Ellipticity -0.2036660E+01 Gb(Abramov) 0.4072711E-02 Vb(Abramov) -0.2720263E-02 Hb(Abramov) 0.1352448E-02 Ex_ueg -0.6746133E-03 Ec_ueg -0.1578662E-03 Delta_ex -0.1043822E-02 Delta_ec 0.6020625E-03 Delta_et -0.3351397E-02 Pxc 0.4273323E+01 Qxc -0.1733743E+01 3,+1 109 3 -1 -0.572846 -0.541283 -0.482722 Rho 0.1895160E+00 |GRAD(Rho)| 0.1898393E-15 GRAD(Rho)x 0.9714451E-16 GRAD(Rho)y 0.1006140E-15 GRAD(Rho)z 0.1283695E-15 Laplacian 0.5149042E+00 (-1/4)Del**2(Rho)) -0.1287260E+00 Diamond 0.1391188E+01 Metallicity 0.8368157E+01 Ellipticity 0.2392434E-01 Gb(Abramov) 0.2653506E+00 Vb(Abramov) -0.4019752E+00 Hb(Abramov) -0.1366246E+00 Ex_ueg -0.8039817E-01 Ec_ueg -0.1101950E-01 Delta_ex -0.5868764E-01 Delta_ec 0.1242249E-01 Delta_et -0.1703693E+00 Pxc 0.7295987E+01 Qxc -0.4724307E+01 3,-1 110 3 +1 0.423318 -0.673469 -1.706924 Rho 0.7374400E-02 |GRAD(Rho)| 0.1169893E-16 GRAD(Rho)x -0.1038414E-16 GRAD(Rho)y -0.5304751E-17 GRAD(Rho)z 0.9456263E-18 Laplacian 0.2825225E-01 (-1/4)Del**2(Rho)) -0.7063062E-02 Diamond 0.7307953E-03 Metallicity 0.6814562E+00 Ellipticity -0.1639112E+01 Gb(Abramov) 0.5510903E-02 Vb(Abramov) -0.3958743E-02 Hb(Abramov) 0.1552159E-02 Ex_ueg -0.1060117E-02 Ec_ueg -0.2504817E-03 Delta_ex -0.1306745E-02 Delta_ec 0.5136048E-03 Delta_et -0.3275426E-02 Pxc 0.4232315E+01 Qxc -0.2544261E+01 3,+1 111 3 +1 0.552767 0.461853 1.677618 Rho 0.7720063E-02 |GRAD(Rho)| 0.6146813E-17 GRAD(Rho)x -0.1914460E-17 GRAD(Rho)y 0.3926830E-17 GRAD(Rho)z -0.4324136E-17 Laplacian 0.3005172E-01 (-1/4)Del**2(Rho)) -0.7512929E-02 Diamond 0.7210520E-03 Metallicity 0.6914784E+00 Ellipticity -0.1446299E+01 Gb(Abramov) 0.5874457E-02 Vb(Abramov) -0.4235986E-02 Hb(Abramov) 0.1638472E-02 Ex_ueg -0.1126885E-02 Ec_ueg -0.2657830E-03 Delta_ex -0.1349983E-02 Delta_ec 0.4477445E-03 Delta_et -0.2955426E-02 Pxc 0.4239869E+01 Qxc -0.3015075E+01 3,+1 112 3 -1 -0.518414 0.416618 0.469618 Rho 0.1798928E+00 |GRAD(Rho)| 0.4397873E-14 GRAD(Rho)x 0.2466777E-14 GRAD(Rho)y -0.2543105E-14 GRAD(Rho)z -0.2605555E-14 Laplacian 0.4816087E+00 (-1/4)Del**2(Rho)) -0.1204022E+00 Diamond 0.1237566E+01 Metallicity 0.8202421E+01 Ellipticity 0.1505697E-02 Gb(Abramov) 0.2448663E+00 Vb(Abramov) -0.3693305E+00 Hb(Abramov) -0.1244641E+00 Ex_ueg -0.7500155E-01 Ec_ueg -0.1038382E-01 Delta_ex -0.5429596E-01 Delta_ec 0.1199372E-01 Delta_et -0.1642381E+00 Pxc 0.7222922E+01 Qxc -0.4527033E+01 3,-1 113 3 +3 -0.049094 2.274145 0.019903 Rho 0.4744612E-02 |GRAD(Rho)| 0.1726656E-17 GRAD(Rho)x -0.1075083E-17 GRAD(Rho)y 0.1303550E-17 GRAD(Rho)z 0.3553775E-18 Laplacian 0.1942934E-01 (-1/4)Del**2(Rho)) -0.4857334E-02 Diamond 0.1638444E-03 Metallicity 0.4751415E+00 Ellipticity -0.3242863E+00 Gb(Abramov) 0.3622876E-02 Vb(Abramov) -0.2388418E-02 Hb(Abramov) 0.1234458E-02 Ex_ueg -0.5888246E-03 Ec_ueg -0.1359390E-03 Delta_ex -0.6989902E-03 Delta_ec 0.1523679E-03 Delta_et -0.1001317E-02 Pxc 0.4331535E+01 Qxc -0.4587516E+01 3,+3 114 3 +3 0.076385 -0.048486 2.320918 Rho 0.4459606E-02 |GRAD(Rho)| 0.3931740E-15 GRAD(Rho)x 0.6464130E-18 GRAD(Rho)y 0.3897833E-15 GRAD(Rho)z -0.5152112E-16 Laplacian 0.1815586E-01 (-1/4)Del**2(Rho)) -0.4538965E-02 Diamond 0.1503648E-03 Metallicity 0.4585892E+00 Ellipticity -0.4316994E+00 Gb(Abramov) 0.3372896E-02 Vb(Abramov) -0.2206828E-02 Hb(Abramov) 0.1166068E-02 Ex_ueg -0.5421428E-03 Ec_ueg -0.1237321E-03 Delta_ex -0.6531059E-03 Delta_ec 0.1609725E-03 Delta_et -0.1012552E-02 Pxc 0.4381587E+01 Qxc -0.4057252E+01 3,+3 115 3 -1 -0.019306 -3.387108 -1.186010 Rho 0.3361746E-01 |GRAD(Rho)| 0.3081021E-16 GRAD(Rho)x -0.3022946E-16 GRAD(Rho)y -0.5814808E-17 GRAD(Rho)z -0.1279429E-17 Laplacian 0.1037828E+00 (-1/4)Del**2(Rho)) -0.2594569E-01 Diamond 0.4853599E-01 Metallicity 0.2325035E+01 Ellipticity 0.5186230E-02 Gb(Abramov) 0.2735123E-01 Vb(Abramov) -0.2875678E-01 Hb(Abramov) -0.1405542E-02 Ex_ueg -0.8013181E-02 Ec_ueg -0.1531665E-02 Delta_ex -0.9048872E-02 Delta_ec 0.5434932E-02 Delta_et -0.5153535E-01 Pxc 0.5231678E+01 Qxc -0.1664947E+01 3,-1 116 3 -1 0.816316 -1.974731 3.023366 Rho 0.1184829E+00 |GRAD(Rho)| 0.2340166E-15 GRAD(Rho)x 0.1708499E-15 GRAD(Rho)y 0.8409343E-16 GRAD(Rho)z 0.1360233E-15 Laplacian 0.4617489E+00 (-1/4)Del**2(Rho)) -0.1154372E+00 Diamond 0.7009746E+00 Metallicity 0.4265465E+01 Ellipticity 0.3540058E-01 Gb(Abramov) 0.1590237E+00 Vb(Abramov) -0.2026103E+00 Hb(Abramov) -0.4358651E-01 Ex_ueg -0.4297927E-01 Ec_ueg -0.6457685E-02 Delta_ex -0.4678489E-01 Delta_ec 0.1230614E-01 Delta_et -0.1576705E+00 Pxc 0.6655523E+01 Qxc -0.3801751E+01 3,-1 117 3 -1 -0.075255 -3.189452 3.253634 Rho 0.2376184E+00 |GRAD(Rho)| 0.3092247E-10 GRAD(Rho)x -0.5276427E-11 GRAD(Rho)y -0.2050980E-10 GRAD(Rho)z 0.2253234E-10 Laplacian 0.8549178E+00 (-1/4)Del**2(Rho)) -0.2137294E+00 Diamond 0.2998252E+01 Metallicity 0.7347771E+01 Ellipticity 0.1968862E-02 Gb(Abramov) 0.4042254E+00 Vb(Abramov) -0.5947214E+00 Hb(Abramov) -0.1904960E+00 Ex_ueg -0.1086989E+00 Ec_ueg -0.1427464E-01 Delta_ex -0.1030808E+00 Delta_ec 0.1904496E-01 Delta_et -0.2641634E+00 Pxc 0.7614828E+01 Qxc -0.5412494E+01 3,-1 118 3 -1 -0.632030 1.776265 -2.762934 Rho 0.1542801E+00 |GRAD(Rho)| 0.2876759E-13 GRAD(Rho)x 0.2735697E-13 GRAD(Rho)y -0.3570413E-14 GRAD(Rho)z -0.8150002E-14 Laplacian 0.6585320E+00 (-1/4)Del**2(Rho)) -0.1646330E+00 Diamond 0.1375444E+01 Metallicity 0.4643935E+01 Ellipticity 0.2099439E-01 Gb(Abramov) 0.2371795E+00 Vb(Abramov) -0.3097260E+00 Hb(Abramov) -0.7254649E-01 Ex_ueg -0.6111272E-01 Ec_ueg -0.8718063E-02 Delta_ex -0.7116448E-01 Delta_ec 0.1650707E-01 Delta_et -0.2203852E+00 Pxc 0.7009897E+01 Qxc -0.4311151E+01 3,-1 119 3 -1 0.066590 -2.079248 -1.017781 Rho 0.7861114E-02 |GRAD(Rho)| 0.2571322E-16 GRAD(Rho)x -0.1911333E-16 GRAD(Rho)y 0.1718457E-16 GRAD(Rho)z -0.7355569E-18 Laplacian 0.3043447E-01 (-1/4)Del**2(Rho)) -0.7608618E-02 Diamond 0.1492200E-02 Metallicity 0.7036999E+00 Ellipticity 0.5482166E+00 Gb(Abramov) 0.5964776E-02 Vb(Abramov) -0.4320934E-02 Hb(Abramov) 0.1643842E-02 Ex_ueg -0.1154420E-02 Ec_ueg -0.2720425E-03 Delta_ex -0.1751105E-02 Delta_ec 0.1127919E-02 Delta_et -0.6949515E-02 Pxc 0.4243527E+01 Qxc -0.1552509E+01 3,-1 120 3 +3 -0.118897 -2.440352 -0.059757 Rho 0.4056508E-02 |GRAD(Rho)| 0.9448616E-17 GRAD(Rho)x 0.8156160E-17 GRAD(Rho)y -0.3817564E-17 GRAD(Rho)z -0.2860000E-17 Laplacian 0.1628539E-01 (-1/4)Del**2(Rho)) -0.4071348E-02 Diamond 0.1194011E-03 Metallicity 0.4365850E+00 Ellipticity -0.2802329E+00 Gb(Abramov) 0.3010480E-02 Vb(Abramov) -0.1949612E-02 Hb(Abramov) 0.1060868E-02 Ex_ueg -0.4778095E-03 Ec_ueg -0.1065392E-03 Delta_ex -0.5727978E-03 Delta_ec 0.1461260E-03 Delta_et -0.8960667E-03 Pxc 0.4484824E+01 Qxc -0.3919889E+01 3,+3 121 3 -1 -0.025996 -1.283559 -3.301428 Rho 0.3510837E-01 |GRAD(Rho)| 0.7470339E-14 GRAD(Rho)x 0.7170407E-14 GRAD(Rho)y -0.1612007E-14 GRAD(Rho)z 0.1338907E-14 Laplacian 0.1023884E+00 (-1/4)Del**2(Rho)) -0.2559709E-01 Diamond 0.5107263E-01 Metallicity 0.2533458E+01 Ellipticity 0.2371297E-01 Gb(Abramov) 0.2787292E-01 Vb(Abramov) -0.3014875E-01 Hb(Abramov) -0.2275830E-02 Ex_ueg -0.8490488E-02 Ec_ueg -0.1609990E-02 Delta_ex -0.9029553E-02 Delta_ec 0.5398134E-02 Delta_et -0.5185738E-01 Pxc 0.5273629E+01 Qxc -0.1672718E+01 3,-1 122 3 -1 0.058426 -1.130648 -1.970483 Rho 0.8828514E-02 |GRAD(Rho)| 0.9595405E-17 GRAD(Rho)x 0.8348025E-17 GRAD(Rho)y -0.2137573E-17 GRAD(Rho)z -0.4220551E-17 Laplacian 0.3484890E-01 (-1/4)Del**2(Rho)) -0.8712224E-02 Diamond 0.2016880E-02 Metallicity 0.7457104E+00 Ellipticity 0.2631938E+00 Gb(Abramov) 0.6890949E-02 Vb(Abramov) -0.5069673E-02 Hb(Abramov) 0.1821275E-02 Ex_ueg -0.1347623E-02 Ec_ueg -0.3152160E-03 Delta_ex -0.2059651E-02 Delta_ec 0.1306315E-02 Delta_et -0.8331513E-02 Pxc 0.4275238E+01 Qxc -0.1576688E+01 3,-1 123 3 +1 1.623161 0.478072 0.535785 Rho 0.8012018E-02 |GRAD(Rho)| 0.2733211E-16 GRAD(Rho)x -0.1365191E-16 GRAD(Rho)y -0.1721367E-16 GRAD(Rho)z -0.1625912E-16 Laplacian 0.3122996E-01 (-1/4)Del**2(Rho)) -0.7807491E-02 Diamond 0.7774897E-03 Metallicity 0.7078560E+00 Ellipticity -0.1444889E+01 Gb(Abramov) 0.6126090E-02 Vb(Abramov) -0.4444690E-02 Hb(Abramov) 0.1681400E-02 Ex_ueg -0.1184062E-02 Ec_ueg -0.2787495E-03 Delta_ex -0.1410646E-02 Delta_ec 0.4558957E-03 Delta_et -0.3046037E-02 Pxc 0.4247763E+01 Qxc -0.3094229E+01 3,+1 124 3 +1 -0.244684 -2.373810 -1.058793 Rho 0.7369322E-02 |GRAD(Rho)| 0.8265679E-12 GRAD(Rho)x -0.6113652E-12 GRAD(Rho)y -0.5466262E-12 GRAD(Rho)z -0.1031838E-12 Laplacian 0.2945174E-01 (-1/4)Del**2(Rho)) -0.7362935E-02 Diamond 0.8824678E-03 Metallicity 0.6529523E+00 Ellipticity -0.1866401E+01 Gb(Abramov) 0.5709897E-02 Vb(Abramov) -0.4056860E-02 Hb(Abramov) 0.1653037E-02 Ex_ueg -0.1059144E-02 Ec_ueg -0.2502573E-03 Delta_ex -0.1429186E-02 Delta_ec 0.6553615E-03 Delta_et -0.4100003E-02 Pxc 0.4232221E+01 Qxc -0.2180759E+01 3,+1 125 3 -1 -0.108045 3.140240 -3.208057 Rho 0.2481320E+00 |GRAD(Rho)| 0.4369362E-10 GRAD(Rho)x -0.7270445E-11 GRAD(Rho)y 0.3005153E-10 GRAD(Rho)z -0.3087359E-10 Laplacian 0.9108602E+00 (-1/4)Del**2(Rho)) -0.2277151E+00 Diamond 0.3336437E+01 Metallicity 0.7412522E+01 Ellipticity 0.2788471E-02 Gb(Abramov) 0.4331339E+00 Vb(Abramov) -0.6385527E+00 Hb(Abramov) -0.2054188E+00 Ex_ueg -0.1151583E+00 Ec_ueg -0.1500306E-01 Delta_ex -0.1109284E+00 Delta_ec 0.1976894E-01 Delta_et -0.2733972E+00 Pxc 0.7675655E+01 Qxc -0.5611245E+01 3,-1 126 3 -1 -0.008871 2.941784 -0.038545 Rho 0.5887641E-02 |GRAD(Rho)| 0.1248752E-16 GRAD(Rho)x -0.6370632E-17 GRAD(Rho)y -0.2001628E-17 GRAD(Rho)z -0.1055209E-16 Laplacian 0.2355226E-01 (-1/4)Del**2(Rho)) -0.5888066E-02 Diamond 0.8089921E-03 Metallicity 0.5616719E+00 Ellipticity 0.1676735E+01 Gb(Abramov) 0.4476571E-02 Vb(Abramov) -0.3065076E-02 Hb(Abramov) 0.1411495E-02 Ex_ueg -0.7851877E-03 Ec_ueg -0.1853094E-03 Delta_ex -0.1302121E-02 Delta_ec 0.9079488E-03 Delta_et -0.5112732E-02 Pxc 0.4237172E+01 Qxc -0.1434135E+01 3,-1 127 3 -1 0.100377 3.203854 3.200470 Rho 0.2368626E+00 |GRAD(Rho)| 0.2746699E-13 GRAD(Rho)x -0.4227535E-14 GRAD(Rho)y -0.1808867E-13 GRAD(Rho)z -0.2023273E-13 Laplacian 0.8479254E+00 (-1/4)Del**2(Rho)) -0.2119814E+00 Diamond 0.2965086E+01 Metallicity 0.7369130E+01 Ellipticity 0.4659215E-02 Gb(Abramov) 0.4016739E+00 Vb(Abramov) -0.5913665E+00 Hb(Abramov) -0.1896926E+00 Ex_ueg -0.1082381E+00 Ec_ueg -0.1422250E-01 Delta_ex -0.1021676E+00 Delta_ec 0.1893337E-01 Delta_et -0.2626968E+00 Pxc 0.7610344E+01 Qxc -0.5396168E+01 3,-1 128 3 -1 0.578492 1.828035 2.783038 Rho 0.1606592E+00 |GRAD(Rho)| 0.9466495E-16 GRAD(Rho)x 0.8990747E-16 GRAD(Rho)y 0.2921925E-16 GRAD(Rho)z -0.4933120E-17 Laplacian 0.6711871E+00 (-1/4)Del**2(Rho)) -0.1677968E+00 Diamond 0.1443891E+01 Metallicity 0.4874675E+01 Ellipticity 0.3562882E-01 Gb(Abramov) 0.2481903E+00 Vb(Abramov) -0.3285838E+00 Hb(Abramov) -0.8039353E-01 Ex_ueg -0.6450488E-01 Ec_ueg -0.9129313E-02 Delta_ex -0.7300997E-01 Delta_ec 0.1620037E-01 Delta_et -0.2162679E+00 Pxc 0.7065689E+01 Qxc -0.4506684E+01 3,-1 129 3 -1 0.407767 -0.543915 0.439088 Rho 0.1839520E+00 |GRAD(Rho)| 0.3286099E-15 GRAD(Rho)x 0.2046974E-15 GRAD(Rho)y -0.9367507E-16 GRAD(Rho)z 0.2393918E-15 Laplacian 0.4959630E+00 (-1/4)Del**2(Rho)) -0.1239908E+00 Diamond 0.1310536E+01 Metallicity 0.8266812E+01 Ellipticity 0.4952346E-02 Gb(Abramov) 0.2534952E+00 Vb(Abramov) -0.3829997E+00 Hb(Abramov) -0.1295045E+00 Ex_ueg -0.7726647E-01 Ec_ueg -0.1065132E-01 Delta_ex -0.5623907E-01 Delta_ec 0.1229947E-01 Delta_et -0.1689037E+00 Pxc 0.7254170E+01 Qxc -0.4572481E+01 3,-1 130 3 -1 0.390484 0.411014 -0.486204 Rho 0.1827812E+00 |GRAD(Rho)| 0.4095163E-12 GRAD(Rho)x -0.2231583E-12 GRAD(Rho)y -0.2079656E-12 GRAD(Rho)z 0.2732294E-12 Laplacian 0.4931476E+00 (-1/4)Del**2(Rho)) -0.1232869E+00 Diamond 0.1294038E+01 Metallicity 0.8226003E+01 Ellipticity 0.2193684E-02 Gb(Abramov) 0.2512177E+00 Vb(Abramov) -0.3791484E+00 Hb(Abramov) -0.1279308E+00 Ex_ueg -0.7661148E-01 Ec_ueg -0.1057407E-01 Delta_ex -0.5583717E-01 Delta_ec 0.1226230E-01 Delta_et -0.1683110E+00 Pxc 0.7245222E+01 Qxc -0.4553563E+01 3,-1 131 3 +3 1.054342 1.071179 1.103723 Rho 0.4684160E-02 |GRAD(Rho)| 0.1981032E-14 GRAD(Rho)x -0.1222525E-14 GRAD(Rho)y 0.1046429E-14 GRAD(Rho)z -0.1155381E-14 Laplacian 0.1829417E-01 (-1/4)Del**2(Rho)) -0.4573544E-02 Diamond 0.1246307E-03 Metallicity 0.4939540E+00 Ellipticity -0.2950903E+00 Gb(Abramov) 0.3425549E-02 Vb(Abramov) -0.2277555E-02 Hb(Abramov) 0.1147994E-02 Ex_ueg -0.5788428E-03 Ec_ueg -0.1333463E-03 Delta_ex -0.6286234E-03 Delta_ec 0.9468246E-04 Delta_et -0.7001424E-03 Pxc 0.4340898E+01 Qxc -0.6639280E+01 3,+3 132 3 -1 0.840711 -3.000899 2.054431 Rho 0.1395428E+00 |GRAD(Rho)| 0.9630852E-16 GRAD(Rho)x -0.9462374E-16 GRAD(Rho)y 0.6532318E-17 GRAD(Rho)z -0.1670349E-16 Laplacian 0.5448307E+00 (-1/4)Del**2(Rho)) -0.1362077E+00 Diamond 0.1001616E+01 Metallicity 0.4748221E+01 Ellipticity 0.6591242E-01 Gb(Abramov) 0.1985958E+00 Vb(Abramov) -0.2609839E+00 Hb(Abramov) -0.6238813E-01 Ex_ueg -0.5345584E-01 Ec_ueg -0.7777504E-02 Delta_ex -0.5736721E-01 Delta_ec 0.1386211E-01 Delta_et -0.1821718E+00 Pxc 0.6873136E+01 Qxc -0.4138418E+01 3,-1 133 3 -1 0.463890 1.678541 -1.727394 Rho 0.5015560E-01 |GRAD(Rho)| 0.1150799E-14 GRAD(Rho)x -0.4143154E-15 GRAD(Rho)y -0.1067710E-14 GRAD(Rho)z 0.1125948E-15 Laplacian 0.2022612E+00 (-1/4)Del**2(Rho)) -0.5056531E-01 Diamond 0.1020798E+00 Metallicity 0.2323982E+01 Ellipticity 0.1305120E-01 Gb(Abramov) 0.5329569E-01 Vb(Abramov) -0.5602607E-01 Hb(Abramov) -0.2730379E-02 Ex_ueg -0.1366085E-01 Ec_ueg -0.2423477E-02 Delta_ex -0.1662363E-01 Delta_ec 0.5958551E-02 Delta_et -0.6286321E-01 Pxc 0.5636880E+01 Qxc -0.2789878E+01 3,-1 134 3 -1 0.796972 1.912035 -2.996710 Rho 0.1277729E+00 |GRAD(Rho)| 0.1530313E-14 GRAD(Rho)x -0.1076870E-14 GRAD(Rho)y 0.8941077E-15 GRAD(Rho)z 0.6186932E-15 Laplacian 0.4979895E+00 (-1/4)Del**2(Rho)) -0.1244974E+00 Diamond 0.8367539E+00 Metallicity 0.4485294E+01 Ellipticity 0.2656927E-01 Gb(Abramov) 0.1760661E+00 Vb(Abramov) -0.2276349E+00 Hb(Abramov) -0.5156877E-01 Ex_ueg -0.4753025E-01 Ec_ueg -0.7036236E-02 Delta_ex -0.5148851E-01 Delta_ec 0.1323482E-01 Delta_et -0.1721071E+00 Pxc 0.6755067E+01 Qxc -0.3890383E+01 3,-1 135 3 -1 1.728665 -0.611265 1.712633 Rho 0.3828143E-01 |GRAD(Rho)| 0.1574033E-12 GRAD(Rho)x 0.3892252E-13 GRAD(Rho)y -0.1159734E-12 GRAD(Rho)z -0.9905046E-13 Laplacian 0.1599332E+00 (-1/4)Del**2(Rho)) -0.3998329E-01 Diamond 0.5730427E-01 Metallicity 0.1873505E+01 Ellipticity 0.2578098E-01 Gb(Abramov) 0.3914034E-01 Vb(Abramov) -0.3829740E-01 Hb(Abramov) 0.8429464E-03 Ex_ueg -0.9528750E-02 Ec_ueg -0.1778172E-02 Delta_ex -0.1237275E-01 Delta_ec 0.4874698E-02 Delta_et -0.4788298E-01 Pxc 0.5358733E+01 Qxc -0.2538158E+01 3,-1 136 3 -1 0.497304 -1.779280 1.727529 Rho 0.4378861E-01 |GRAD(Rho)| 0.1613991E-15 GRAD(Rho)x -0.2470689E-16 GRAD(Rho)y -0.1026299E-15 GRAD(Rho)z 0.1220915E-15 Laplacian 0.1821453E+00 (-1/4)Del**2(Rho)) -0.4553632E-01 Diamond 0.7857007E-01 Metallicity 0.2058088E+01 Ellipticity 0.1846337E-01 Gb(Abramov) 0.4597717E-01 Vb(Abramov) -0.4641802E-01 Hb(Abramov) -0.4408506E-03 Ex_ueg -0.1139900E-01 Ec_ueg -0.2074523E-02 Delta_ex -0.1457839E-01 Delta_ec 0.5567605E-02 Delta_et -0.5671483E-01 Pxc 0.5494756E+01 Qxc -0.2618432E+01 3,-1 137 3 +1 1.219591 -1.219869 2.171149 Rho 0.2547877E-01 |GRAD(Rho)| 0.5749074E-16 GRAD(Rho)x -0.8635829E-17 GRAD(Rho)y 0.6976516E-17 GRAD(Rho)z -0.5640866E-16 Laplacian 0.1025614E+00 (-1/4)Del**2(Rho)) -0.2564035E-01 Diamond 0.1562530E-01 Metallicity 0.1482267E+01 Ellipticity -0.1315519E+02 Gb(Abramov) 0.2342788E-01 Vb(Abramov) -0.2121540E-01 Hb(Abramov) 0.2212474E-02 Ex_ueg -0.5537193E-02 Ec_ueg -0.1112850E-02 Delta_ex -0.6607772E-02 Delta_ec 0.2091378E-02 Delta_et -0.1847006E-01 Pxc 0.4975688E+01 Qxc -0.3159531E+01 3,+1 138 3 +3 0.943287 -1.242118 -1.165394 Rho 0.4721557E-02 |GRAD(Rho)| 0.4852777E-17 GRAD(Rho)x 0.9929741E-18 GRAD(Rho)y -0.3276547E-17 GRAD(Rho)z -0.3439141E-17 Laplacian 0.1822263E-01 (-1/4)Del**2(Rho)) -0.4555657E-02 Diamond 0.1441249E-03 Metallicity 0.5025094E+00 Ellipticity -0.4937851E+00 Gb(Abramov) 0.3418648E-02 Vb(Abramov) -0.2281639E-02 Hb(Abramov) 0.1137009E-02 Ex_ueg -0.5850127E-03 Ec_ueg -0.1349500E-03 Delta_ex -0.6461940E-03 Delta_ec 0.1276428E-03 Delta_et -0.8628281E-03 Pxc 0.4335034E+01 Qxc -0.5062519E+01 3,+3 139 3 +3 2.294448 -0.019762 0.001055 Rho 0.4355247E-02 |GRAD(Rho)| 0.6854894E-14 GRAD(Rho)x -0.5007297E-14 GRAD(Rho)y 0.3146983E-14 GRAD(Rho)z -0.3465985E-14 Laplacian 0.1777327E-01 (-1/4)Del**2(Rho)) -0.4443318E-02 Diamond 0.1541828E-03 Metallicity 0.4503329E+00 Ellipticity -0.2869321E+00 Gb(Abramov) 0.3295708E-02 Vb(Abramov) -0.2148097E-02 Hb(Abramov) 0.1147611E-02 Ex_ueg -0.5252936E-03 Ec_ueg -0.1192728E-03 Delta_ex -0.6484736E-03 Delta_ec 0.1807817E-03 Delta_et -0.1097024E-02 Pxc 0.4404134E+01 Qxc -0.3587053E+01 3,+3 140 3 +1 1.320865 1.013050 -2.171275 Rho 0.2772215E-01 |GRAD(Rho)| 0.5164450E-15 GRAD(Rho)x 0.4389925E-15 GRAD(Rho)y 0.4690488E-17 GRAD(Rho)z -0.2719909E-15 Laplacian 0.1120405E+00 (-1/4)Del**2(Rho)) -0.2801013E-01 Diamond 0.1708996E-01 Metallicity 0.1561767E+01 Ellipticity -0.4001902E+01 Gb(Abramov) 0.2596430E-01 Vb(Abramov) -0.2391847E-01 Hb(Abramov) 0.2045827E-02 Ex_ueg -0.6196611E-02 Ec_ueg -0.1226723E-02 Delta_ex -0.7182441E-02 Delta_ec 0.1934141E-02 Delta_et -0.1750125E-01 Pxc 0.5051353E+01 Qxc -0.3713505E+01 3,+1 141 3 -1 1.736638 -2.927544 -0.593161 Rho 0.2091751E+00 |GRAD(Rho)| 0.5344320E-15 GRAD(Rho)x 0.3418489E-15 GRAD(Rho)y 0.5198749E-16 GRAD(Rho)z 0.4074974E-15 Laplacian 0.8126430E+00 (-1/4)Del**2(Rho)) -0.2031607E+00 Diamond 0.2421509E+01 Metallicity 0.6250240E+01 Ellipticity 0.3343852E-02 Gb(Abramov) 0.3470744E+00 Vb(Abramov) -0.4909880E+00 Hb(Abramov) -0.1439136E+00 Ex_ueg -0.9170613E-01 Ec_ueg -0.1233436E-01 Delta_ex -0.9465535E-01 Delta_ec 0.1850994E-01 Delta_et -0.2539653E+00 Pxc 0.7435012E+01 Qxc -0.5113758E+01 3,-1 142 3 +1 1.077853 -2.207583 1.365914 Rho 0.2900019E-01 |GRAD(Rho)| 0.1695641E-16 GRAD(Rho)x 0.1887166E-17 GRAD(Rho)y -0.1454859E-16 GRAD(Rho)z 0.8502759E-17 Laplacian 0.1187950E+00 (-1/4)Del**2(Rho)) -0.2969874E-01 Diamond 0.2008711E-01 Metallicity 0.1587876E+01 Ellipticity -0.5820536E+01 Gb(Abramov) 0.2765882E-01 Vb(Abramov) -0.2561889E-01 Hb(Abramov) 0.2039927E-02 Ex_ueg -0.6580410E-02 Ec_ueg -0.1292152E-02 Delta_ex -0.7780017E-02 Delta_ec 0.2179011E-02 Delta_et -0.1991729E-01 Pxc 0.5092596E+01 Qxc -0.3570435E+01 3,+1 143 3 -1 1.140117 -2.392038 -1.958140 Rho 0.4269919E-01 |GRAD(Rho)| 0.6843357E-16 GRAD(Rho)x 0.5357502E-17 GRAD(Rho)y 0.3539569E-16 GRAD(Rho)z -0.5832321E-16 Laplacian 0.1197077E+00 (-1/4)Del**2(Rho)) -0.2992692E-01 Diamond 0.7482761E-01 Metallicity 0.3002782E+01 Ellipticity 0.1562755E-01 Gb(Abramov) 0.3492862E-01 Vb(Abramov) -0.3993032E-01 Hb(Abramov) -0.5001697E-02 Ex_ueg -0.1102244E-01 Ec_ueg -0.2015475E-02 Delta_ex -0.1084754E-01 Delta_ec 0.6027356E-02 Delta_et -0.6135453E-01 Pxc 0.5468906E+01 Qxc -0.1799718E+01 3,-1 144 3 +1 1.275811 2.117158 -1.145514 Rho 0.2892181E-01 |GRAD(Rho)| 0.7115760E-14 GRAD(Rho)x 0.4928929E-14 GRAD(Rho)y 0.4428128E-14 GRAD(Rho)z 0.2594491E-14 Laplacian 0.1169058E+00 (-1/4)Del**2(Rho)) -0.2922644E-01 Diamond 0.1938489E-01 Metallicity 0.1606274E+01 Ellipticity -0.5404401E+01 Gb(Abramov) 0.2730857E-01 Vb(Abramov) -0.2539071E-01 Hb(Abramov) 0.1917867E-02 Ex_ueg -0.6556706E-02 Ec_ueg -0.1288128E-02 Delta_ex -0.7623112E-02 Delta_ec 0.2094973E-02 Delta_et -0.1914193E-01 Pxc 0.5090104E+01 Qxc -0.3638764E+01 3,+1 145 3 -1 1.669065 1.691476 -0.534963 Rho 0.4434225E-01 |GRAD(Rho)| 0.1378924E-15 GRAD(Rho)x -0.1113052E-15 GRAD(Rho)y -0.4223772E-16 GRAD(Rho)z -0.6958037E-16 Laplacian 0.1768877E+00 (-1/4)Del**2(Rho)) -0.4422192E-01 Diamond 0.7495176E-01 Metallicity 0.2164106E+01 Ellipticity 0.1423702E-01 Gb(Abramov) 0.4543143E-01 Vb(Abramov) -0.4664094E-01 Hb(Abramov) -0.1209510E-02 Ex_ueg -0.1159156E-01 Ec_ueg -0.2104607E-02 Delta_ex -0.1406702E-01 Delta_ec 0.5165795E-02 Delta_et -0.5275493E-01 Pxc 0.5507708E+01 Qxc -0.2723109E+01 3,-1 146 3 +1 1.707171 1.783679 1.736944 Rho 0.1216425E-01 |GRAD(Rho)| 0.3917677E-16 GRAD(Rho)x 0.2950852E-16 GRAD(Rho)y -0.1261541E-17 GRAD(Rho)z -0.2573859E-16 Laplacian 0.6070155E-01 (-1/4)Del**2(Rho)) -0.1517539E-01 Diamond 0.2478726E-02 Metallicity 0.7303917E+00 Ellipticity -0.1267821E+01 Gb(Abramov) 0.1196425E-01 Vb(Abramov) -0.8753122E-02 Hb(Abramov) 0.3211133E-02 Ex_ueg -0.2066168E-02 Ec_ueg -0.4671568E-03 Delta_ex -0.2994651E-02 Delta_ec 0.7882228E-03 Delta_et -0.5929788E-02 Pxc 0.4422858E+01 Qxc -0.3799245E+01 3,+1 147 3 +1 1.794118 -1.864407 -1.716391 Rho 0.1478744E-01 |GRAD(Rho)| 0.2237401E-16 GRAD(Rho)x -0.1615315E-17 GRAD(Rho)y -0.2190210E-16 GRAD(Rho)z 0.4276108E-17 Laplacian 0.6734514E-01 (-1/4)Del**2(Rho)) -0.1683628E-01 Diamond 0.3755572E-02 Metallicity 0.9115811E+00 Ellipticity -0.1489668E+01 Gb(Abramov) 0.1378213E-01 Vb(Abramov) -0.1072797E-01 Hb(Abramov) 0.3054155E-02 Ex_ueg -0.2680664E-02 Ec_ueg -0.5897290E-03 Delta_ex -0.3534425E-02 Delta_ec 0.9367568E-03 Delta_et -0.7346153E-02 Pxc 0.4545587E+01 Qxc -0.3773045E+01 3,+1 148 3 -1 1.646672 -1.807334 0.470667 Rho 0.4934862E-01 |GRAD(Rho)| 0.1300368E-14 GRAD(Rho)x 0.4120265E-16 GRAD(Rho)y -0.1091413E-14 GRAD(Rho)z 0.7057451E-15 Laplacian 0.1969132E+00 (-1/4)Del**2(Rho)) -0.4922831E-01 Diamond 0.9769815E-01 Metallicity 0.2323432E+01 Ellipticity 0.1374609E-01 Gb(Abramov) 0.5188198E-01 Vb(Abramov) -0.5453564E-01 Hb(Abramov) -0.2653669E-02 Ex_ueg -0.1336857E-01 Ec_ueg -0.2378900E-02 Delta_ex -0.1613927E-01 Delta_ec 0.5839709E-02 Delta_et -0.6136018E-01 Pxc 0.5619646E+01 Qxc -0.2763712E+01 3,-1 149 3 -1 1.801736 -0.628010 -2.793320 Rho 0.1265518E+00 |GRAD(Rho)| 0.1141725E-15 GRAD(Rho)x 0.4865357E-16 GRAD(Rho)y 0.3491809E-16 GRAD(Rho)z 0.9720550E-16 Laplacian 0.4645481E+00 (-1/4)Del**2(Rho)) -0.1161370E+00 Diamond 0.7729766E+00 Metallicity 0.4731837E+01 Ellipticity 0.1142441E+00 Gb(Abramov) 0.1690149E+00 Vb(Abramov) -0.2218928E+00 Hb(Abramov) -0.5287791E-01 Ex_ueg -0.4692557E-01 Ec_ueg -0.6959855E-02 Delta_ex -0.4793747E-01 Delta_ec 0.1240469E-01 Delta_et -0.1611075E+00 Pxc 0.6742320E+01 Qxc -0.3864463E+01 3,-1 150 3 -1 1.988470 -0.860835 3.012559 Rho 0.1461487E+00 |GRAD(Rho)| 0.2418697E-15 GRAD(Rho)x -0.3523657E-18 GRAD(Rho)y -0.2401779E-15 GRAD(Rho)z 0.2855517E-16 Laplacian 0.5668426E+00 (-1/4)Del**2(Rho)) -0.1417107E+00 Diamond 0.1108038E+01 Metallicity 0.4929570E+01 Ellipticity 0.5374861E-01 Gb(Abramov) 0.2109026E+00 Vb(Abramov) -0.2800944E+00 Hb(Abramov) -0.6919189E-01 Ex_ueg -0.5685628E-01 Ec_ueg -0.8197435E-02 Delta_ex -0.6043122E-01 Delta_ec 0.1437672E-01 Delta_et -0.1904621E+00 Pxc 0.6935863E+01 Qxc -0.4203407E+01 3,-1 151 3 -1 1.826805 0.533163 2.770019 Rho 0.9848560E-01 |GRAD(Rho)| 0.5496143E-15 GRAD(Rho)x -0.1214239E-15 GRAD(Rho)y 0.5344913E-15 GRAD(Rho)z 0.4063386E-16 Laplacian 0.4084763E+00 (-1/4)Del**2(Rho)) -0.1021191E+00 Diamond 0.4965437E+00 Metallicity 0.3543242E+01 Ellipticity 0.1530040E-01 Gb(Abramov) 0.1283848E+00 Vb(Abramov) -0.1546506E+00 Hb(Abramov) -0.2626574E-01 Ex_ueg -0.3359042E-01 Ec_ueg -0.5233407E-02 Delta_ex -0.3962732E-01 Delta_ec 0.1135947E-01 Delta_et -0.1405964E+00 Pxc 0.6418461E+01 Qxc -0.3488483E+01 3,-1 152 3 -1 1.687546 0.495931 -1.744649 Rho 0.4033126E-01 |GRAD(Rho)| 0.3053977E-14 GRAD(Rho)x 0.1615203E-15 GRAD(Rho)y 0.2373900E-14 GRAD(Rho)z 0.1914494E-14 Laplacian 0.1681051E+00 (-1/4)Del**2(Rho)) -0.4202627E-01 Diamond 0.6458795E-01 Metallicity 0.1944324E+01 Ellipticity 0.1389778E-01 Gb(Abramov) 0.4163629E-01 Vb(Abramov) -0.4124632E-01 Hb(Abramov) 0.3899728E-03 Ex_ueg -0.1021506E-01 Ec_ueg -0.1887842E-02 Delta_ex -0.1316904E-01 Delta_ec 0.5114937E-02 Delta_et -0.5095859E-01 Pxc 0.5410970E+01 Qxc -0.2574624E+01 3,-1 153 3 -1 1.956887 0.780901 -3.005563 Rho 0.1408033E+00 |GRAD(Rho)| 0.9692700E-15 GRAD(Rho)x 0.6820580E-15 GRAD(Rho)y -0.5407865E-15 GRAD(Rho)z 0.4264167E-15 Laplacian 0.5575056E+00 (-1/4)Del**2(Rho)) -0.1393764E+00 Diamond 0.1040306E+01 Metallicity 0.4710335E+01 Ellipticity 0.5877842E-01 Gb(Abramov) 0.2023359E+00 Vb(Abramov) -0.2652953E+00 Hb(Abramov) -0.6295946E-01 Ex_ueg -0.5410059E-01 Ec_ueg -0.7857415E-02 Delta_ex -0.5887707E-01 Delta_ec 0.1423572E-01 Delta_et -0.1875049E+00 Pxc 0.6885292E+01 Qxc -0.4135868E+01 3,-1 154 3 +1 2.112377 1.063585 -1.349258 Rho 0.2655572E-01 |GRAD(Rho)| 0.2301548E-16 GRAD(Rho)x 0.2225684E-16 GRAD(Rho)y -0.5412027E-17 GRAD(Rho)z 0.2248429E-17 Laplacian 0.1062719E+00 (-1/4)Del**2(Rho)) -0.2656797E-01 Diamond 0.1569800E-01 Metallicity 0.1532704E+01 Ellipticity -0.4620002E+01 Gb(Abramov) 0.2449879E-01 Vb(Abramov) -0.2242960E-01 Hb(Abramov) 0.2069184E-02 Ex_ueg -0.5851437E-02 Ec_ueg -0.1167357E-02 Delta_ex -0.6776712E-02 Delta_ec 0.1909633E-02 Delta_et -0.1708623E-01 Pxc 0.5012552E+01 Qxc -0.3548699E+01 3,+1 155 3 -1 1.937980 -3.034979 0.862483 Rho 0.1286408E+00 |GRAD(Rho)| 0.2639510E-13 GRAD(Rho)x 0.1315223E-13 GRAD(Rho)y 0.7530157E-14 GRAD(Rho)z -0.2161058E-13 Laplacian 0.4979476E+00 (-1/4)Del**2(Rho)) -0.1244869E+00 Diamond 0.8504856E+00 Metallicity 0.4536565E+01 Ellipticity 0.2372099E-01 Gb(Abramov) 0.1771151E+00 Vb(Abramov) -0.2297433E+00 Hb(Abramov) -0.5262820E-01 Ex_ueg -0.4796118E-01 Ec_ueg -0.7090583E-02 Delta_ex -0.5165317E-01 Delta_ec 0.1336458E-01 Delta_et -0.1742667E+00 Pxc 0.6764068E+01 Qxc -0.3864931E+01 3,-1 156 3 -1 1.762112 2.783385 0.541071 Rho 0.1444599E+00 |GRAD(Rho)| 0.5318673E-15 GRAD(Rho)x -0.3945276E-15 GRAD(Rho)y 0.7826584E-16 GRAD(Rho)z 0.3480018E-15 Laplacian 0.6024775E+00 (-1/4)Del**2(Rho)) -0.1506194E+00 Diamond 0.1166829E+01 Metallicity 0.4549018E+01 Ellipticity 0.1214469E-01 Gb(Abramov) 0.2146080E+00 Vb(Abramov) -0.2785966E+00 Hb(Abramov) -0.6398859E-01 Ex_ueg -0.5598195E-01 Ec_ueg -0.8089814E-02 Delta_ex -0.6410474E-01 Delta_ec 0.1542658E-01 Delta_et -0.2042559E+00 Pxc 0.6920054E+01 Qxc -0.4155473E+01 3,-1 157 3 -1 1.958690 2.940429 -0.879481 Rho 0.1375206E+00 |GRAD(Rho)| 0.2970095E-09 GRAD(Rho)x 0.1580522E-09 GRAD(Rho)y -0.1207245E-09 GRAD(Rho)z 0.2205895E-09 Laplacian 0.5428175E+00 (-1/4)Del**2(Rho)) -0.1357044E+00 Diamond 0.9958800E+00 Metallicity 0.4651276E+01 Ellipticity 0.2799632E-01 Gb(Abramov) 0.1956693E+00 Vb(Abramov) -0.2556343E+00 Hb(Abramov) -0.5996494E-01 Ex_ueg -0.5242542E-01 Ec_ueg -0.7649501E-02 Delta_ex -0.5712330E-01 Delta_ec 0.1416607E-01 Delta_et -0.1863918E+00 Pxc 0.6853443E+01 Qxc -0.4032404E+01 3,-1 158 3 +1 2.867072 -0.167657 0.156671 Rho 0.4933748E-02 |GRAD(Rho)| 0.1520082E-14 GRAD(Rho)x 0.1164471E-15 GRAD(Rho)y -0.9625467E-15 GRAD(Rho)z 0.1170723E-14 Laplacian 0.2017360E-01 (-1/4)Del**2(Rho)) -0.5043400E-02 Diamond 0.4556463E-03 Metallicity 0.4884177E+00 Ellipticity -0.2835106E+01 Gb(Abramov) 0.3772814E-02 Vb(Abramov) -0.2502229E-02 Hb(Abramov) 0.1270586E-02 Ex_ueg -0.6203275E-03 Ec_ueg -0.1440628E-03 Delta_ex -0.9943456E-03 Delta_ec 0.6243773E-03 Delta_et -0.3381738E-02 Pxc 0.4305951E+01 Qxc -0.1592540E+01 3,+1 159 3 -1 2.743341 -0.603784 -1.819201 Rho 0.1267285E+00 |GRAD(Rho)| 0.1651732E-14 GRAD(Rho)x -0.2191884E-15 GRAD(Rho)y 0.1023697E-14 GRAD(Rho)z -0.1277583E-14 Laplacian 0.5273479E+00 (-1/4)Del**2(Rho)) -0.1318370E+00 Diamond 0.8621799E+00 Metallicity 0.4178043E+01 Ellipticity 0.1366494E-01 Gb(Abramov) 0.1796947E+00 Vb(Abramov) -0.2275525E+00 Hb(Abramov) -0.4785776E-01 Ex_ueg -0.4701292E-01 Ec_ueg -0.6970898E-02 Delta_ex -0.5422701E-01 Delta_ec 0.1370370E-01 Delta_et -0.1773579E+00 Pxc 0.6744170E+01 Qxc -0.3957108E+01 3,-1 160 3 -1 3.003626 -0.894065 1.999961 Rho 0.1714260E+00 |GRAD(Rho)| 0.2128667E-12 GRAD(Rho)x 0.1441033E-12 GRAD(Rho)y 0.8124805E-13 GRAD(Rho)z 0.1339597E-12 Laplacian 0.6635307E+00 (-1/4)Del**2(Rho)) -0.1658827E+00 Diamond 0.1563843E+01 Metallicity 0.5493892E+01 Ellipticity 0.6573212E-01 Gb(Abramov) 0.2624787E+00 Vb(Abramov) -0.3590747E+00 Hb(Abramov) -0.9659602E-01 Ex_ueg -0.7033218E-01 Ec_ueg -0.9828917E-02 Delta_ex -0.7353342E-01 Delta_ec 0.1605663E-01 Delta_et -0.2167967E+00 Pxc 0.7155639E+01 Qxc -0.4579630E+01 3,-1 161 3 -1 2.763390 0.522207 1.813791 Rho 0.1180362E+00 |GRAD(Rho)| 0.1010003E-15 GRAD(Rho)x -0.1605974E-17 GRAD(Rho)y -0.9896733E-16 GRAD(Rho)z 0.2009840E-16 Laplacian 0.4936750E+00 (-1/4)Del**2(Rho)) -0.1234188E+00 Diamond 0.7459393E+00 Metallicity 0.3964582E+01 Ellipticity 0.1270275E-01 Gb(Abramov) 0.1638298E+00 Vb(Abramov) -0.2042409E+00 Hb(Abramov) -0.4041105E-01 Ex_ueg -0.4276339E-01 Ec_ueg -0.6430020E-02 Delta_ex -0.4997320E-01 Delta_ec 0.1316602E-01 Delta_et -0.1685720E+00 Pxc 0.6650583E+01 Qxc -0.3795618E+01 3,-1 162 3 -1 2.961717 0.808335 -1.996333 Rho 0.1319258E+00 |GRAD(Rho)| 0.3338478E-15 GRAD(Rho)x 0.1238362E-15 GRAD(Rho)y 0.1357557E-15 GRAD(Rho)z 0.2787280E-15 Laplacian 0.5273754E+00 (-1/4)Del**2(Rho)) -0.1318439E+00 Diamond 0.9063410E+00 Metallicity 0.4467277E+01 Ellipticity 0.4621273E-01 Gb(Abramov) 0.1860597E+00 Vb(Abramov) -0.2402756E+00 Hb(Abramov) -0.5421588E-01 Ex_ueg -0.4960111E-01 Ec_ueg -0.7296750E-02 Delta_ex -0.5477661E-01 Delta_ec 0.1360329E-01 Delta_et -0.1772502E+00 Pxc 0.6797699E+01 Qxc -0.4026718E+01 3,-1 163 3 -1 3.122877 -3.271516 -0.092448 Rho 0.2426343E+00 |GRAD(Rho)| 0.1174463E-13 GRAD(Rho)x 0.9107840E-14 GRAD(Rho)y -0.1735157E-14 GRAD(Rho)z -0.7209213E-14 Laplacian 0.8928093E+00 (-1/4)Del**2(Rho)) -0.2232023E+00 Diamond 0.3185658E+01 Metallicity 0.7285199E+01 Ellipticity 0.1047930E-01 Gb(Abramov) 0.4198138E+00 Vb(Abramov) -0.6164252E+00 Hb(Abramov) -0.1966114E+00 Ex_ueg -0.1117690E+00 Ec_ueg -0.1462140E-01 Delta_ex -0.1081057E+00 Delta_ec 0.1953052E-01 Delta_et -0.2700526E+00 Pxc 0.7644203E+01 Qxc -0.5535220E+01 3,-1 164 3 -1 2.731373 1.793628 0.567058 Rho 0.1535542E+00 |GRAD(Rho)| 0.3670815E-15 GRAD(Rho)x -0.4466913E-16 GRAD(Rho)y -0.3402497E-15 GRAD(Rho)z 0.1303211E-15 Laplacian 0.6498257E+00 (-1/4)Del**2(Rho)) -0.1624564E+00 Diamond 0.1349581E+01 Metallicity 0.4669305E+01 Ellipticity 0.1245086E-01 Gb(Abramov) 0.2347307E+00 Vb(Abramov) -0.3070050E+00 Hb(Abramov) -0.7227429E-01 Ex_ueg -0.6072961E-01 Ec_ueg -0.8671418E-02 Delta_ex -0.7014178E-01 Delta_ec 0.1630792E-01 Delta_et -0.2175890E+00 Pxc 0.7003423E+01 Qxc -0.4301086E+01 3,-1 165 3 -1 2.954002 1.950321 -0.851467 Rho 0.1404969E+00 |GRAD(Rho)| 0.3932213E-15 GRAD(Rho)x 0.3687372E-15 GRAD(Rho)y 0.6406280E-16 GRAD(Rho)z -0.1206310E-15 Laplacian 0.5527264E+00 (-1/4)Del**2(Rho)) -0.1381816E+00 Diamond 0.1041751E+01 Metallicity 0.4733846E+01 Ellipticity 0.3044064E-01 Gb(Abramov) 0.2011428E+00 Vb(Abramov) -0.2641040E+00 Hb(Abramov) -0.6296120E-01 Ex_ueg -0.5394369E-01 Ec_ueg -0.7837981E-02 Delta_ex -0.5848325E-01 Delta_ec 0.1437464E-01 Delta_et -0.1898095E+00 Pxc 0.6882345E+01 Qxc -0.4068502E+01 3,-1 166 3 -1 2.922858 -2.037917 0.816649 Rho 0.8977491E-01 |GRAD(Rho)| 0.1210615E-15 GRAD(Rho)x 0.2489260E-16 GRAD(Rho)y -0.1390150E-16 GRAD(Rho)z 0.1176563E-15 Laplacian 0.3567033E+00 (-1/4)Del**2(Rho)) -0.8917582E-01 Diamond 0.3885091E+00 Metallicity 0.3477211E+01 Ellipticity 0.4598793E-02 Gb(Abramov) 0.1111311E+00 Vb(Abramov) -0.1330863E+00 Hb(Abramov) -0.2195524E-01 Ex_ueg -0.2968873E-01 Ec_ueg -0.4709933E-02 Delta_ex -0.3388689E-01 Delta_ec 0.1014872E-01 Delta_et -0.1232767E+00 Pxc 0.6303429E+01 Qxc -0.3339032E+01 3,-1 167 3 -1 3.163347 3.172513 0.045963 Rho 0.2482057E+00 |GRAD(Rho)| 0.1738685E-14 GRAD(Rho)x 0.1404475E-14 GRAD(Rho)y -0.1084202E-16 GRAD(Rho)z 0.1024869E-14 Laplacian 0.9027256E+00 (-1/4)Del**2(Rho)) -0.2256814E+00 Diamond 0.3316909E+01 Metallicity 0.7483021E+01 Ellipticity 0.1876744E-02 Gb(Abramov) 0.4319174E+00 Vb(Abramov) -0.6381534E+00 Hb(Abramov) -0.2062360E+00 Ex_ueg -0.1152040E+00 Ec_ueg -0.1500819E-01 Delta_ex -0.1099925E+00 Delta_ec 0.1967319E-01 Delta_et -0.2724582E+00 Pxc 0.7676071E+01 Qxc -0.5590984E+01 3,-1 168 3 -1 3.221071 0.007503 3.188622 Rho 0.2364205E+00 |GRAD(Rho)| 0.8969249E-14 GRAD(Rho)x 0.9301913E-15 GRAD(Rho)y 0.5704204E-14 GRAD(Rho)z 0.6858880E-14 Laplacian 0.8443790E+00 (-1/4)Del**2(Rho)) -0.2110948E+00 Diamond 0.2947088E+01 Metallicity 0.7377078E+01 Ellipticity 0.1366286E-02 Gb(Abramov) 0.4002736E+00 Vb(Abramov) -0.5894524E+00 Hb(Abramov) -0.1891788E+00 Ex_ueg -0.1079689E+00 Ec_ueg -0.1419203E-01 Delta_ex -0.1016965E+00 Delta_ec 0.1887454E-01 Delta_et -0.2619037E+00 Pxc 0.7607715E+01 Qxc -0.5388023E+01 3,-1 169 3 -1 3.191012 -0.089068 -3.200301 Rho 0.2370032E+00 |GRAD(Rho)| 0.5171621E-12 GRAD(Rho)x -0.3665812E-12 GRAD(Rho)y 0.9720554E-13 GRAD(Rho)z 0.3516048E-12 Laplacian 0.8468147E+00 (-1/4)Del**2(Rho)) -0.2117037E+00 Diamond 0.2964380E+01 Metallicity 0.7386101E+01 Ellipticity 0.9581686E-03 Gb(Abramov) 0.4017466E+00 Vb(Abramov) -0.5917895E+00 Hb(Abramov) -0.1900429E+00 Ex_ueg -0.1083239E+00 Ec_ueg -0.1423220E-01 Delta_ex -0.1020553E+00 Delta_ec 0.1891553E-01 Delta_et -0.2624998E+00 Pxc 0.7611180E+01 Qxc -0.5395320E+01 3,-1 170 3 +1 -2.187514 1.222190 1.242677 Rho 0.2915540E-01 |GRAD(Rho)| 0.3671402E-14 GRAD(Rho)x -0.1046756E-14 GRAD(Rho)y -0.3512565E-14 GRAD(Rho)z -0.2130428E-15 Laplacian 0.1178379E+00 (-1/4)Del**2(Rho)) -0.2945947E-01 Diamond 0.2007026E-01 Metallicity 0.1615077E+01 Ellipticity -0.6557297E+01 Gb(Abramov) 0.2756953E-01 Vb(Abramov) -0.2567960E-01 Hb(Abramov) 0.1889937E-02 Ex_ueg -0.6627409E-02 Ec_ueg -0.1300125E-02 Delta_ex -0.7728153E-02 Delta_ec 0.2161157E-02 Delta_et -0.1978000E-01 Pxc 0.5097518E+01 Qxc -0.3575934E+01 3,+1 171 3 -1 -3.316975 -3.156712 0.147148 Rho 0.2487167E+00 |GRAD(Rho)| 0.1306776E-13 GRAD(Rho)x 0.3304215E-14 GRAD(Rho)y -0.7486199E-14 GRAD(Rho)z 0.1018849E-13 Laplacian 0.9215374E+00 (-1/4)Del**2(Rho)) -0.2303843E+00 Diamond 0.3378258E+01 Metallicity 0.7355434E+01 Ellipticity 0.1831613E-02 Gb(Abramov) 0.4360191E+00 Vb(Abramov) -0.6416538E+00 Hb(Abramov) -0.2056347E+00 Ex_ueg -0.1155203E+00 Ec_ueg -0.1504375E-01 Delta_ex -0.1122632E+00 Delta_ec 0.1992418E-01 Delta_et -0.2752679E+00 Pxc 0.7678955E+01 Qxc -0.5634519E+01 3,-1 172 3 -1 -3.182165 -0.038453 3.248008 Rho 0.2473588E+00 |GRAD(Rho)| 0.4683012E-14 GRAD(Rho)x -0.4087442E-14 GRAD(Rho)y 0.2284685E-14 GRAD(Rho)z 0.6028164E-16 Laplacian 0.9095807E+00 (-1/4)Del**2(Rho)) -0.2273952E+00 Diamond 0.3318837E+01 Metallicity 0.7384437E+01 Ellipticity 0.1811450E-02 Gb(Abramov) 0.4314610E+00 Vb(Abramov) -0.6355268E+00 Hb(Abramov) -0.2040658E+00 Ex_ueg -0.1146801E+00 Ec_ueg -0.1494929E-01 Delta_ex -0.1106797E+00 Delta_ec 0.1975601E-01 Delta_et -0.2731823E+00 Pxc 0.7671277E+01 Qxc -0.5602332E+01 3,-1 173 3 -1 -2.991614 0.858333 2.019139 Rho 0.1357722E+00 |GRAD(Rho)| 0.3161415E-13 GRAD(Rho)x 0.1116064E-13 GRAD(Rho)y -0.2212937E-13 GRAD(Rho)z 0.1962615E-13 Laplacian 0.5350485E+00 (-1/4)Del**2(Rho)) -0.1337621E+00 Diamond 0.9645797E+00 Metallicity 0.4619250E+01 Ellipticity 0.3470599E-01 Gb(Abramov) 0.1921549E+00 Vb(Abramov) -0.2505476E+00 Hb(Abramov) -0.5839274E-01 Ex_ueg -0.5153863E-01 Ec_ueg -0.7539049E-02 Delta_ex -0.5610780E-01 Delta_ec 0.1396437E-01 Delta_et -0.1832882E+00 Pxc 0.6836225E+01 Qxc -0.4017925E+01 3,-1 174 3 -1 -0.610117 -2.787392 1.892245 Rho 0.1487846E+00 |GRAD(Rho)| 0.1842267E-15 GRAD(Rho)x 0.1822950E-15 GRAD(Rho)y 0.2369659E-16 GRAD(Rho)z -0.1210241E-16 Laplacian 0.6309123E+00 (-1/4)Del**2(Rho)) -0.1577281E+00 Diamond 0.1242478E+01 Metallicity 0.4562900E+01 Ellipticity 0.3673801E-01 Gb(Abramov) 0.2251016E+00 Vb(Abramov) -0.2924752E+00 Hb(Abramov) -0.6737356E-01 Ex_ueg -0.5822764E-01 Ec_ueg -0.8365759E-02 Delta_ex -0.6738075E-01 Delta_ec 0.1561513E-01 Delta_et -0.2066633E+00 Pxc 0.6960234E+01 Qxc -0.4315094E+01 3,-1 175 3 -1 0.816868 2.929971 -2.011457 Rho 0.1418583E+00 |GRAD(Rho)| 0.1371734E-15 GRAD(Rho)x 0.1139090E-15 GRAD(Rho)y 0.6215189E-16 GRAD(Rho)z 0.4447939E-16 Laplacian 0.5654907E+00 (-1/4)Del**2(Rho)) -0.1413727E+00 Diamond 0.1073783E+01 Metallicity 0.4701962E+01 Ellipticity 0.4079401E-01 Gb(Abramov) 0.2050366E+00 Vb(Abramov) -0.2687005E+00 Hb(Abramov) -0.6366392E-01 Ex_ueg -0.5464178E-01 Ec_ueg -0.7924384E-02 Delta_ex -0.5992673E-01 Delta_ec 0.1458700E-01 Delta_et -0.1927153E+00 Pxc 0.6895398E+01 Qxc -0.4108229E+01 3,-1 176 3 -1 0.556000 2.795179 1.796383 Rho 0.1298807E+00 |GRAD(Rho)| 0.8420980E-15 GRAD(Rho)x 0.4548160E-15 GRAD(Rho)y -0.5306831E-15 GRAD(Rho)z 0.4697306E-15 Laplacian 0.5398266E+00 (-1/4)Del**2(Rho)) -0.1349567E+00 Diamond 0.9107713E+00 Metallicity 0.4252063E+01 Ellipticity 0.6678305E-02 Gb(Abramov) 0.1856118E+00 Vb(Abramov) -0.2362670E+00 Hb(Abramov) -0.5065515E-01 Ex_ueg -0.4857853E-01 Ec_ueg -0.7168314E-02 Delta_ex -0.5586165E-01 Delta_ec 0.1398312E-01 Delta_et -0.1817615E+00 Pxc 0.6776842E+01 Qxc -0.3994936E+01 3,-1 177 3 -1 1.123664 -1.844323 -2.542333 Rho 0.3123183E+00 |GRAD(Rho)| 0.1010738E-14 GRAD(Rho)x 0.6725463E-15 GRAD(Rho)y 0.2628148E-15 GRAD(Rho)z -0.7072484E-15 Laplacian -0.1555535E+01 (-1/4)Del**2(Rho)) 0.3888838E+00 Diamond 0.5332041E+01 Metallicity -0.6368869E+01 Ellipticity 0.7321199E-02 Gb(Abramov) 0.1535358E+00 Vb(Abramov) -0.6959554E+00 Hb(Abramov) -0.5424196E+00 Ex_ueg -0.1565002E+00 Ec_ueg -0.1958175E-01 Delta_ex 0.1532375E+00 Delta_ec 0.5462134E-01 Delta_et -0.1282451E+01 Pxc 0.7992146E+01 Qxc 0.2805451E+01 3,-1 178 3 -1 2.701799 -1.872464 -0.601312 Rho 0.1422195E+00 |GRAD(Rho)| 0.5165342E-13 GRAD(Rho)x -0.1271165E-13 GRAD(Rho)y -0.4247184E-13 GRAD(Rho)z 0.2650720E-13 Laplacian 0.5849136E+00 (-1/4)Del**2(Rho)) -0.1462284E+00 Diamond 0.1116971E+01 Metallicity 0.4565135E+01 Ellipticity 0.1359518E-01 Gb(Abramov) 0.2087443E+00 Vb(Abramov) -0.2712602E+00 Hb(Abramov) -0.6251593E-01 Ex_ueg -0.5482737E-01 Ec_ueg -0.7947328E-02 Delta_ex -0.6205459E-01 Delta_ec 0.1513419E-01 Delta_et -0.2001384E+00 Pxc 0.6898844E+01 Qxc -0.4100292E+01 3,-1 179 3 -1 -3.210573 3.181221 -0.034236 Rho 0.2479344E+00 |GRAD(Rho)| 0.1884782E-11 GRAD(Rho)x 0.1330289E-11 GRAD(Rho)y -0.1277026E-11 GRAD(Rho)z 0.3897938E-12 Laplacian 0.9080232E+00 (-1/4)Del**2(Rho)) -0.2270058E+00 Diamond 0.3325583E+01 Metallicity 0.7425818E+01 Ellipticity 0.2801248E-02 Gb(Abramov) 0.4322878E+00 Vb(Abramov) -0.6375698E+00 Hb(Abramov) -0.2052820E+00 Ex_ueg -0.1150361E+00 Ec_ueg -0.1498932E-01 Delta_ex -0.1105736E+00 Delta_ec 0.1973692E-01 Delta_et -0.2730648E+00 Pxc 0.7674538E+01 Qxc -0.5602374E+01 3,-1 180 3 -1 -3.052411 -2.043133 -0.837200 Rho 0.1456368E+00 |GRAD(Rho)| 0.2195716E-15 GRAD(Rho)x 0.8025807E-16 GRAD(Rho)y -0.6095927E-16 GRAD(Rho)z -0.1950751E-15 Laplacian 0.5661442E+00 (-1/4)Del**2(Rho)) -0.1415361E+00 Diamond 0.1116903E+01 Metallicity 0.4906873E+01 Ellipticity 0.4632665E-01 Gb(Abramov) 0.2101073E+00 Vb(Abramov) -0.2786785E+00 Hb(Abramov) -0.6857123E-01 Ex_ueg -0.5659092E-01 Ec_ueg -0.8164797E-02 Delta_ex -0.6045907E-01 Delta_ec 0.1464681E-01 Delta_et -0.1945559E+00 Pxc 0.6931087E+01 Qxc -0.4127797E+01 3,-1 181 3 -1 -0.833483 -1.323372 -3.484203 Rho 0.3128175E+00 |GRAD(Rho)| 0.6416700E-15 GRAD(Rho)x 0.7329800E-16 GRAD(Rho)y 0.1154150E-15 GRAD(Rho)z -0.6269347E-15 Laplacian -0.1609953E+01 (-1/4)Del**2(Rho)) 0.4024883E+00 Diamond 0.5471533E+01 Metallicity -0.6169997E+01 Ellipticity 0.2037296E-02 Gb(Abramov) 0.1455664E+00 Vb(Abramov) -0.6936212E+00 Hb(Abramov) -0.5480547E+00 Ex_ueg -0.1568338E+00 Ec_ueg -0.1961825E-01 Delta_ex 0.1589136E+00 Delta_ec 0.5614714E-01 Delta_et -0.1320504E+01 Pxc 0.7994281E+01 Qxc 0.2830307E+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 80 136 103 174 116 132 117 129 109 130 112 133 118 104 134 175 125 107 128 176 102 106 127 148 178 141 166 155 163 145 164 156 165 157 167 84 67 85 68 86 179 83 74 82 180 79 171 90 73 76 57 87 58 94 63 92 173 95 172 135 161 151 160 150 168 152 159 149 162 153 169 122 119 64 121 177 126 115 143 181 99 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 17 21 21 25 28 28 36 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 52 54 27 53 54 52 53 2.405144 1.983303 1.889714 1.995261 1.929055 1.720419 1.703448 1.690205 1.705929 1.712827 2.368475 1.899924 1.924871 1.988861 1.945458 1.730976 2.423721 1.861871 1.946184 1.975074 2.014399 1.721830 2.375254 1.935236 1.794938 2.129742 1.986072 1.739585 2.419713 1.902492 1.928010 1.950271 1.958636 1.731009 2.387502 1.958154 1.951484 1.940143 1.904691 1.731281 2.345953 1.924443 1.995539 1.935907 1.920404 1.729731 2.339833 1.928614 1.970230 1.951530 1.921797 1.730503 2.365925 1.958982 1.903833 1.963680 1.928925 1.732115 2.459366 1.983203 2.058145 1.847115 1.910409 1.722563 2.439807 1.955744 1.978133 1.949785 1.923977 1.721714 3.043289 3.097693 3.208042 1.798976 1.004570 3.212213 1.801093 1.723409 1.002949 1.000025 2.406989 1.983856 1.890365 1.996183 1.929856 1.720433 1.703453 1.690251 1.705940 1.712837 2.370167 1.900411 1.925264 1.989523 1.946119 1.730983 2.425320 1.862406 1.946661 1.975885 2.015327 1.721842 2.376864 1.935629 1.795016 2.130325 1.986703 1.739600 2.421409 1.902926 1.928488 1.950886 1.959278 1.731014 2.389217 1.958582 1.951951 1.940771 1.905269 1.731286 2.348099 1.924960 1.995972 1.936562 1.921856 1.729742 2.341852 1.929095 1.970615 1.952208 1.923114 1.730515 2.367467 1.959368 1.904360 1.964334 1.929529 1.732119 2.461027 1.983830 2.058762 1.847657 1.911113 1.722580 2.441187 1.956466 1.979133 1.950538 1.924749 1.721727 3.047547 3.101377 3.215881 1.800434 1.004666 3.218760 1.802644 1.726241 1.003072 1.000161 30 24 24 26 26 21 23 22 22 21 30 25 25 26 25 23 27 27 24 25 26 26 27 25 26 25 24 23 27 26 26 24 25 22 30 27 27 28 27 21 30 27 27 24 27 21 27 27 27 27 28 23 27 27 25 24 25 21 31 24 25 23 24 20 27 26 25 26 25 22 35 35 35 26 18 35 24 26 21 22 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 Mo As W Mo W W W W W W Mo Mo 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 2.3591 2.4917 2.5057 2.3832 2.4097 2.4950 2.4940 2.5012 2.5081 2.4910 2.3447 2.3659 -1.1236 -1.0368 -1.1279 -1.1331 -0.9516 -0.9440 -0.9556 -0.9278 -0.8112 -0.8880 -0.9539 -0.9215 -0.9525 -0.9127 -0.9252 -0.8839 -0.8833 -0.9707 -0.9190 -0.9525 -0.8932 -0.9128 -0.9226 -0.7693 -0.7631 -0.9220 -0.9247 -0.9574 -0.6801 -0.6864 -0.7592 -0.6881 -0.7828 -0.7609 -0.7622 -0.7522 -0.7558 -0.7629 -0.6890 0.3296 0.3256 0.3148 1.9408 0.8194 2.0842 1.9445 2.1177 2.0817 2.0878 2.1006 2.1004 2.0850 1.9457 1.9598 1.9382 1.9466 1.9357 1.9334 1.9340 1.9366 1.9332 1.9373 1.8832 1.9459 1.9328 1.9375 1.9337 1.9391 1.9380 1.9626 1.9571 1.9439 1.9481 1.9466 1.9497 1.9494 1.9478 1.8819 1.8812 1.9477 1.9496 1.9468 1.9823 1.9809 1.9711 1.9814 1.9672 1.9707 1.9705 1.9711 1.9708 1.9701 1.9808 0.5239 0.5279 0.5289 6.0687 1.1371 6.0842 6.0504 6.1057 6.0857 6.0889 6.0879 6.0882 6.0883 6.0674 6.0602 5.1475 5.0517 5.1543 5.1619 4.9877 4.9794 4.9928 4.9625 4.8974 4.9158 4.9897 4.9556 4.9885 4.9446 4.9586 4.8874 4.8966 4.9943 4.9406 4.9737 4.9151 4.9341 4.9441 4.8560 4.8505 4.9442 4.9453 4.9785 4.6628 4.6708 4.7510 4.6720 4.7799 4.7531 4.7546 4.7440 4.7481 4.7559 4.6734 0.1464 0.1465 0.1562 3.6314 10.5518 3.2965 3.6218 3.3384 3.3084 3.3003 3.2813 3.2741 3.3065 3.6421 3.6141 0.0379 0.0384 0.0379 0.0378 0.0298 0.0280 0.0296 0.0279 0.0306 0.0264 0.0315 0.0284 0.0303 0.0290 0.0285 0.0339 0.0295 0.0325 0.0303 0.0323 0.0283 0.0293 0.0307 0.0315 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Tungsten (TZP, 4d frozen) 0 Jun10-2024 15:29:19 Nodes: 1 Procs: 5 *** (NO TITLE) *** -4 -15.90438151 -16.30411442 -15.95442658 -16.26902987 -16.41097467 -16.43868980 -16.45744761 -16.45892326 -16.45934516 -16.46197630 -16.46333204 -16.46476156 -16.46804367 -16.46608357 -16.46954579 -16.47026570 -16.46953056 -16.47079153 -16.47109366 -16.47180391 -16.47123313 -16.47182828 -16.47261810 -16.47168836 -16.47229871 -16.47269131 -16.47288931 -16.47296111 -16.47305996 -16.47316746 -16.47327230 -16.47332070 -16.47373068 -16.47426680 -16.47517716 -16.47647992 -16.47614137 -16.47782240 -16.47828960 -16.47888177 -16.47919172 -16.47936144 -16.47952787 -16.47957736 -16.47961824 -16.47964763 -16.47966322 -16.47967275 GEOMETRY CONVERGED