ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 12:03:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.05 3.98 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 Jun11-2024 12:03:24 Nodes: 1 Procs: 1 Jun11-2024 12:03:29 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 12:03:34 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.51 0.04 2.84 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 Jun11-2024 12:03:24 Nodes: 1 Procs: 1 Jun11-2024 12:03:29 Nodes: 1 Procs: 1 0 Jun11-2024 12:03:34 Nodes: 1 Procs: 1 Jun11-2024 12:03:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 12:03:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.59 0.06 2.84 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 Jun11-2024 12:03:24 Nodes: 1 Procs: 1 Jun11-2024 12:03:29 Nodes: 1 Procs: 1 0 Jun11-2024 12:03:34 Nodes: 1 Procs: 1 Jun11-2024 12:03:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 12:03:42 Nodes: 1 Procs: 1 Jun11-2024 12:03:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 12:03:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.77 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 Jun11-2024 12:03:24 Nodes: 1 Procs: 1 Jun11-2024 12:03:29 Nodes: 1 Procs: 1 0 Jun11-2024 12:03:34 Nodes: 1 Procs: 1 Jun11-2024 12:03:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 12:03:42 Nodes: 1 Procs: 1 Jun11-2024 12:03:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 12:03:50 Nodes: 1 Procs: 1 Jun11-2024 12:03:53 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 12:03:59 Hydrogen (TZP) c2-46 c2-46 c2-46 c2-46 c2-46 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 3.03 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 Jun11-2024 12:03:24 Nodes: 1 Procs: 1 Jun11-2024 12:03:29 Nodes: 1 Procs: 1 0 Jun11-2024 12:03:34 Nodes: 1 Procs: 1 Jun11-2024 12:03:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 12:03:42 Nodes: 1 Procs: 1 Jun11-2024 12:03:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 12:03:50 Nodes: 1 Procs: 1 Jun11-2024 12:03:53 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun11-2024 12:03:59 Nodes: 1 Procs: 1 Jun11-2024 12:04:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun11-2024 12:04:08 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1658.1611999999975 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2.513816 Rho 0.3192367E+03 3,-3 35 3 -3 2.073437 -0.094633 3.401120 Rho 0.3191409E+03 3,-3 36 3 -3 0.186465 -2.134152 -3.490539 Rho 0.3190954E+03 3,-3 37 3 -3 1.368588 3.547669 1.332198 Rho 0.3190752E+03 3,-3 38 3 -3 0.871849 -4.694717 -2.532403 Rho 0.3193996E+03 3,-3 39 3 -3 4.674353 -0.669213 -2.487936 Rho 0.3193934E+03 3,-3 40 3 -3 -0.880239 4.424682 2.832309 Rho 0.3194203E+03 3,-3 41 3 -3 4.659414 -0.739359 2.474160 Rho 0.3193722E+03 3,-3 42 3 -3 0.401885 -3.065913 1.839082 Rho 0.4361415E+07 3,-3 43 3 -3 -0.488632 3.157884 -1.675967 Rho 0.4361414E+07 3,-3 44 3 -3 -0.282932 -0.024269 -0.011972 Rho 0.4276096E+05 3,-3 45 3 -3 -2.179068 1.370380 1.076654 Rho 0.4302665E+00 3,-3 46 3 -3 -2.205204 1.347639 -1.089427 Rho 0.4300978E+00 3,-3 47 3 -3 -1.362954 -3.083591 -0.373591 Rho 0.4370223E+00 3,-3 48 3 +1 -1.853777 0.327730 -1.729197 Rho 0.5904976E-02 |GRAD(Rho)| 0.4677254E-16 GRAD(Rho)x 0.4018441E-16 GRAD(Rho)y -0.1958903E-16 GRAD(Rho)z 0.1375332E-16 Laplacian 0.2213084E-01 (-1/4)Del**2(Rho)) -0.5532709E-02 Diamond 0.5039729E-03 Metallicity 0.6006833E+00 Ellipticity -0.1960176E+01 Gb(Abramov) 0.4242374E-02 Vb(Abramov) -0.2952039E-02 Hb(Abramov) 0.1290335E-02 Ex_ueg -0.7882717E-03 Ec_ueg -0.1860631E-03 Delta_ex -0.1031389E-02 Delta_ec 0.5089125E-03 Delta_et -0.2979485E-02 Pxc 0.4236582E+01 Qxc -0.2026652E+01 3,+1 49 3 +1 -1.432091 -0.095229 -1.646562 Rho 0.6068780E-02 |GRAD(Rho)| 0.4934124E-15 GRAD(Rho)x 0.4567556E-15 GRAD(Rho)y -0.1848764E-15 GRAD(Rho)z 0.2551072E-16 Laplacian 0.2255043E-01 (-1/4)Del**2(Rho)) -0.5637608E-02 Diamond 0.5652486E-03 Metallicity 0.6170125E+00 Ellipticity -0.2418987E+01 Gb(Abramov) 0.4338151E-02 Vb(Abramov) -0.3038694E-02 Hb(Abramov) 0.1299457E-02 Ex_ueg -0.8175611E-03 Ec_ueg -0.1931928E-03 Delta_ex -0.1080482E-02 Delta_ec 0.5600549E-03 Delta_et -0.3282454E-02 Pxc 0.4231841E+01 Qxc -0.1929243E+01 3,+1 50 3 -1 -1.732328 0.051759 1.672986 Rho 0.5666588E-02 |GRAD(Rho)| 0.4146242E-15 GRAD(Rho)x 0.2603357E-15 GRAD(Rho)y -0.1572147E-16 GRAD(Rho)z -0.3223218E-15 Laplacian 0.2076970E-01 (-1/4)Del**2(Rho)) -0.5192426E-02 Diamond 0.6043098E-03 Metallicity 0.5975655E+00 Ellipticity 0.9055172E+00 Gb(Abramov) 0.3978753E-02 Vb(Abramov) -0.2765080E-02 Hb(Abramov) 0.1213673E-02 Ex_ueg -0.7461289E-03 Ec_ueg -0.1757106E-03 Delta_ex -0.1082629E-02 Delta_ec 0.6977680E-03 Delta_et -0.3917001E-02 Pxc 0.4246351E+01 Qxc -0.1551560E+01 3,-1 51 3 +1 -1.426501 -0.050379 1.664075 Rho 0.5555006E-02 |GRAD(Rho)| 0.9209751E-14 GRAD(Rho)x 0.5091937E-14 GRAD(Rho)y -0.1204794E-15 GRAD(Rho)z -0.7673147E-14 Laplacian 0.2056745E-01 (-1/4)Del**2(Rho)) -0.5141864E-02 Diamond 0.4600844E-03 Metallicity 0.5837678E+00 Ellipticity -0.2288666E+01 Gb(Abramov) 0.3928185E-02 Vb(Abramov) -0.2714506E-02 Hb(Abramov) 0.1213679E-02 Ex_ueg -0.7266039E-03 Ec_ueg -0.1708746E-03 Delta_ex -0.9691104E-03 Delta_ec 0.5144070E-03 Delta_et -0.2936454E-02 Pxc 0.4252264E+01 Qxc -0.1883937E+01 3,+1 52 3 -1 -1.945846 0.988882 2.396324 Rho 0.8947595E-02 |GRAD(Rho)| 0.1360580E-16 GRAD(Rho)x -0.2111435E-18 GRAD(Rho)y 0.1225441E-16 GRAD(Rho)z -0.5907845E-17 Laplacian 0.3532652E-01 (-1/4)Del**2(Rho)) -0.8831629E-02 Diamond 0.2240705E-02 Metallicity 0.7522397E+00 Ellipticity 0.1637282E+00 Gb(Abramov) 0.6995003E-02 Vb(Abramov) -0.5158377E-02 Hb(Abramov) 0.1836626E-02 Ex_ueg -0.1371914E-02 Ec_ueg -0.3205592E-03 Delta_ex -0.2161340E-02 Delta_ec 0.1445492E-02 Delta_et -0.9220057E-02 Pxc 0.4279752E+01 Qxc -0.1495228E+01 3,-1 53 3 +3 0.571294 3.285348 0.007062 Rho 0.1219969E-01 |GRAD(Rho)| 0.1004009E-13 GRAD(Rho)x -0.2364786E-14 GRAD(Rho)y -0.9755795E-14 GRAD(Rho)z -0.1887918E-15 Laplacian 0.5647641E-01 (-1/4)Del**2(Rho)) -0.1411910E-01 Diamond 0.1426584E-02 Metallicity 0.7888491E+00 Ellipticity -0.8259849E+00 Gb(Abramov) 0.1126904E-01 Vb(Abramov) -0.8418982E-02 Hb(Abramov) 0.2850061E-02 Ex_ueg -0.2074197E-02 Ec_ueg -0.4687951E-03 Delta_ex -0.2537088E-02 Delta_ec 0.2847539E-03 Delta_et -0.2485266E-02 Pxc 0.4424528E+01 Qxc -0.8909756E+01 3,+3 54 3 -1 -1.943752 0.924487 -2.357257 Rho 0.8280190E-02 |GRAD(Rho)| 0.5455546E-15 GRAD(Rho)x 0.5149965E-15 GRAD(Rho)y -0.1058105E-17 GRAD(Rho)z -0.1800204E-15 Laplacian 0.3282569E-01 (-1/4)Del**2(Rho)) -0.8206422E-02 Diamond 0.1838985E-02 Metallicity 0.7114315E+00 Ellipticity 0.2355021E+00 Gb(Abramov) 0.6444000E-02 Vb(Abramov) -0.4681577E-02 Hb(Abramov) 0.1762423E-02 Ex_ueg -0.1237197E-02 Ec_ueg -0.2906937E-03 Delta_ex -0.1961490E-02 Delta_ec 0.1312084E-02 Delta_et -0.8182403E-02 Pxc 0.4256015E+01 Qxc -0.1494943E+01 3,-1 55 3 -1 -2.092616 0.925628 -0.728272 Rho 0.4552918E-01 |GRAD(Rho)| 0.5146468E-13 GRAD(Rho)x 0.3306237E-13 GRAD(Rho)y 0.3919172E-13 GRAD(Rho)z 0.4416114E-14 Laplacian 0.1201418E+00 (-1/4)Del**2(Rho)) -0.3003544E-01 Diamond 0.8105254E-01 Metallicity 0.3329678E+01 Ellipticity 0.1272891E-02 Gb(Abramov) 0.3669169E-01 Vb(Abramov) -0.4334793E-01 Hb(Abramov) -0.6656243E-02 Ex_ueg -0.1200710E-01 Ec_ueg -0.2169276E-02 Delta_ex -0.1099901E-01 Delta_ec 0.5973900E-02 Delta_et -0.6195874E-01 Pxc 0.5535074E+01 Qxc -0.1841178E+01 3,-1 56 3 +1 -0.331314 2.790959 0.185793 Rho 0.2652257E-01 |GRAD(Rho)| 0.2519547E-14 GRAD(Rho)x 0.2498861E-14 GRAD(Rho)y -0.3118556E-15 GRAD(Rho)z 0.8097391E-16 Laplacian 0.1011901E+00 (-1/4)Del**2(Rho)) -0.2529753E-01 Diamond 0.1334971E-01 Metallicity 0.1606329E+01 Ellipticity -0.3093787E+01 Gb(Abramov) 0.2363771E-01 Vb(Abramov) -0.2197789E-01 Hb(Abramov) 0.1659816E-02 Ex_ueg -0.5841700E-02 Ec_ueg -0.1165675E-02 Delta_ex -0.6292733E-02 Delta_ec 0.1536607E-02 Delta_et -0.1379461E-01 Pxc 0.5011432E+01 Qxc -0.4095213E+01 3,+1 57 3 +3 -1.542331 2.091325 0.008312 Rho 0.6438625E-02 |GRAD(Rho)| 0.2770032E-14 GRAD(Rho)x 0.1230406E-14 GRAD(Rho)y -0.5828674E-15 GRAD(Rho)z -0.2412353E-14 Laplacian 0.2753773E-01 (-1/4)Del**2(Rho)) -0.6884432E-02 Diamond 0.3866569E-03 Metallicity 0.5576225E+00 Ellipticity -0.6516040E+00 Gb(Abramov) 0.5229440E-02 Vb(Abramov) -0.3574449E-02 Hb(Abramov) 0.1654992E-02 Ex_ueg -0.8846590E-03 Ec_ueg -0.2093385E-03 Delta_ex -0.1097086E-02 Delta_ec 0.2567849E-03 Delta_et -0.1742063E-02 Pxc 0.4225973E+01 Qxc -0.4272392E+01 3,+3 58 3 +1 -1.816451 0.274347 1.711284 Rho 0.5609893E-02 |GRAD(Rho)| 0.2878338E-14 GRAD(Rho)x -0.4956207E-15 GRAD(Rho)y 0.2643561E-14 GRAD(Rho)z -0.1025073E-14 Laplacian 0.2071079E-01 (-1/4)Del**2(Rho)) -0.5177698E-02 Diamond 0.4794730E-03 Metallicity 0.5893059E+00 Ellipticity -0.2496444E+01 Gb(Abramov) 0.3960340E-02 Vb(Abramov) -0.2742982E-02 Hb(Abramov) 0.1217358E-02 Ex_ueg -0.7361922E-03 Ec_ueg -0.1732527E-03 Delta_ex -0.9858598E-03 Delta_ec 0.5322157E-03 Delta_et -0.3039702E-02 Pxc 0.4249240E+01 Qxc -0.1852369E+01 3,+1 59 3 -1 -2.075643 0.938216 0.716323 Rho 0.4429101E-01 |GRAD(Rho)| 0.3626297E-14 GRAD(Rho)x 0.2920758E-14 GRAD(Rho)y -0.1734386E-14 GRAD(Rho)z -0.1269294E-14 Laplacian 0.1167693E+00 (-1/4)Del**2(Rho)) -0.2919233E-01 Diamond 0.7584129E-01 Metallicity 0.3271978E+01 Ellipticity 0.4877914E-02 Gb(Abramov) 0.3538099E-01 Vb(Abramov) -0.4156966E-01 Hb(Abramov) -0.6188665E-02 Ex_ueg -0.1157371E-01 Ec_ueg -0.2101821E-02 Delta_ex -0.1062296E-01 Delta_ec 0.5801796E-02 Delta_et -0.5968914E-01 Pxc 0.5506515E+01 Qxc -0.1830979E+01 3,-1 60 3 +1 0.057553 0.930564 -1.542375 Rho 0.9128202E-02 |GRAD(Rho)| 0.1425871E-16 GRAD(Rho)x 0.5174064E-18 GRAD(Rho)y -0.7799628E-17 GRAD(Rho)z 0.1192514E-16 Laplacian 0.3554566E-01 (-1/4)Del**2(Rho)) -0.8886415E-02 Diamond 0.9852706E-03 Metallicity 0.7729213E+00 Ellipticity -0.1418274E+01 Gb(Abramov) 0.7069027E-02 Vb(Abramov) -0.5251638E-02 Hb(Abramov) 0.1817388E-02 Ex_ueg -0.1408960E-02 Ec_ueg -0.3286748E-03 Delta_ex -0.1629263E-02 Delta_ec 0.4656249E-03 Delta_et -0.3259121E-02 Pxc 0.4286791E+01 Qxc -0.3499090E+01 3,+1 61 3 -1 -1.721224 -0.035792 -1.650838 Rho 0.6171020E-02 |GRAD(Rho)| 0.3870479E-13 GRAD(Rho)x -0.3695248E-13 GRAD(Rho)y 0.1065039E-13 GRAD(Rho)z -0.4375427E-14 Laplacian 0.2281235E-01 (-1/4)Del**2(Rho)) -0.5703087E-02 Diamond 0.7599952E-03 Metallicity 0.6271501E+00 Ellipticity 0.6877915E+00 Gb(Abramov) 0.4398173E-02 Vb(Abramov) -0.3093259E-02 Hb(Abramov) 0.1304914E-02 Ex_ueg -0.8359771E-03 Ec_ueg -0.1976495E-03 Delta_ex -0.1219800E-02 Delta_ec 0.7858962E-03 Delta_et -0.4519354E-02 Pxc 0.4229593E+01 Qxc -0.1552113E+01 3,-1 62 3 +1 -1.533826 1.093533 -2.475265 Rho 0.7524151E-02 |GRAD(Rho)| 0.9702442E-13 GRAD(Rho)x 0.7216712E-13 GRAD(Rho)y 0.6095240E-13 GRAD(Rho)z 0.2214610E-13 Laplacian 0.3296426E-01 (-1/4)Del**2(Rho)) -0.8241066E-02 Diamond 0.9670468E-03 Metallicity 0.6039472E+00 Ellipticity -0.1586291E+01 Gb(Abramov) 0.6323572E-02 Vb(Abramov) -0.4406078E-02 Hb(Abramov) 0.1917494E-02 Ex_ueg -0.1088918E-02 Ec_ueg -0.2571039E-03 Delta_ex -0.1580878E-02 Delta_ec 0.6865656E-03 Delta_et -0.4345719E-02 Pxc 0.4235322E+01 Qxc -0.2302589E+01 3,+1 63 3 +1 -1.816291 2.438637 0.008758 Rho 0.6782090E-02 |GRAD(Rho)| 0.1283211E-16 GRAD(Rho)x 0.9693742E-18 GRAD(Rho)y -0.1197699E-18 GRAD(Rho)z 0.1279488E-16 Laplacian 0.2901018E-01 (-1/4)Del**2(Rho)) -0.7252544E-02 Diamond 0.7088688E-03 Metallicity 0.5772120E+00 Ellipticity -0.1454384E+01 Gb(Abramov) 0.5532738E-02 Vb(Abramov) -0.3812933E-02 Hb(Abramov) 0.1719805E-02 Ex_ueg -0.9481341E-03 Ec_ueg -0.2243915E-03 Delta_ex -0.1339629E-02 Delta_ec 0.5703922E-03 Delta_et -0.3526021E-02 Pxc 0.4225357E+01 Qxc -0.2348611E+01 3,+1 64 3 -1 -2.175236 1.564671 1.190094 Rho 0.3075840E+00 |GRAD(Rho)| 0.5780659E-15 GRAD(Rho)x -0.5417791E-15 GRAD(Rho)y -0.7612920E-16 GRAD(Rho)z -0.1866545E-15 Laplacian -0.1534076E+01 (-1/4)Del**2(Rho)) 0.3835191E+00 Diamond 0.5239330E+01 Metallicity -0.6295630E+01 Ellipticity 0.1777060E-02 Gb(Abramov) 0.1467363E+00 Vb(Abramov) -0.6769917E+00 Hb(Abramov) -0.5302554E+00 Ex_ueg -0.1533452E+00 Ec_ueg -0.1923626E-01 Delta_ex 0.1499239E+00 Delta_ec 0.5439332E-01 Delta_et -0.1267256E+01 Pxc 0.7971672E+01 Qxc 0.2756293E+01 3,-1 65 3 +1 -1.151032 1.418408 -0.696093 Rho 0.1233023E-01 |GRAD(Rho)| 0.3540156E-14 GRAD(Rho)x -0.9382678E-15 GRAD(Rho)y -0.3165191E-14 GRAD(Rho)z 0.1278253E-14 Laplacian 0.4938251E-01 (-1/4)Del**2(Rho)) -0.1234563E-01 Diamond 0.2068356E-02 Metallicity 0.9183159E+00 Ellipticity -0.1522561E+01 Gb(Abramov) 0.1011995E-01 Vb(Abramov) -0.7894271E-02 Hb(Abramov) 0.2225678E-02 Ex_ueg -0.2103843E-02 Ec_ueg -0.4748351E-03 Delta_ex -0.2448877E-02 Delta_ec 0.6482081E-03 Delta_et -0.4887348E-02 Pxc 0.4430682E+01 Qxc -0.3777918E+01 3,+1 66 3 -1 -1.326318 -3.089047 0.202725 Rho 0.4281362E-01 |GRAD(Rho)| 0.1765114E-14 GRAD(Rho)x 0.1727229E-14 GRAD(Rho)y -0.1469874E-15 GRAD(Rho)z -0.3327200E-15 Laplacian 0.1195815E+00 (-1/4)Del**2(Rho)) -0.2989537E-01 Diamond 0.7456409E-01 Metallicity 0.3019389E+01 Ellipticity 0.1284237E-01 Gb(Abramov) 0.3497454E-01 Vb(Abramov) -0.4005371E-01 Hb(Abramov) -0.5079169E-02 Ex_ueg -0.1106185E-01 Ec_ueg -0.2021668E-02 Delta_ex -0.1081827E-01 Delta_ec 0.5977848E-02 Delta_et -0.6089440E-01 Pxc 0.5471644E+01 Qxc -0.1809727E+01 3,-1 67 3 +1 1.425078 0.631225 0.894284 Rho 0.6067270E-02 |GRAD(Rho)| 0.5071259E-17 GRAD(Rho)x 0.2699243E-17 GRAD(Rho)y -0.4938570E-18 GRAD(Rho)z 0.4264723E-17 Laplacian 0.2350143E-01 (-1/4)Del**2(Rho)) -0.5875357E-02 Diamond 0.4237093E-03 Metallicity 0.5917992E+00 Ellipticity -0.1401331E+01 Gb(Abramov) 0.4496410E-02 Vb(Abramov) -0.3117463E-02 Hb(Abramov) 0.1378947E-02 Ex_ueg -0.8172899E-03 Ec_ueg -0.1931270E-03 Delta_ex -0.1007483E-02 Delta_ec 0.3720938E-03 Delta_et -0.2286275E-02 Pxc 0.4231878E+01 Qxc -0.2707605E+01 3,+1 68 3 +3 -1.069639 0.671063 1.760037 Rho 0.4355060E-02 |GRAD(Rho)| 0.2805774E-14 GRAD(Rho)x -0.6535985E-15 GRAD(Rho)y 0.7767998E-15 GRAD(Rho)z 0.2615675E-14 Laplacian 0.1693984E-01 (-1/4)Del**2(Rho)) -0.4234960E-02 Diamond 0.1126891E-03 Metallicity 0.4724552E+00 Ellipticity -0.4958273E+00 Gb(Abramov) 0.3156778E-02 Vb(Abramov) -0.2078597E-02 Hb(Abramov) 0.1078182E-02 Ex_ueg -0.5252635E-03 Ec_ueg -0.1192648E-03 Delta_ex -0.5798195E-03 Delta_ec 0.1040323E-03 Delta_et -0.7178374E-03 Pxc 0.4404177E+01 Qxc -0.5573458E+01 3,+3 69 3 +1 -1.467576 1.168248 2.518178 Rho 0.7686429E-02 |GRAD(Rho)| 0.3083669E-14 GRAD(Rho)x 0.2864403E-14 GRAD(Rho)y 0.6967855E-15 GRAD(Rho)z 0.9048216E-15 Laplacian 0.3461312E-01 (-1/4)Del**2(Rho)) -0.8653279E-02 Diamond 0.9859432E-03 Metallicity 0.5960008E+00 Ellipticity -0.1474723E+01 Gb(Abramov) 0.6628413E-02 Vb(Abramov) -0.4603547E-02 Hb(Abramov) 0.2024866E-02 Ex_ueg -0.1120344E-02 Ec_ueg -0.2642917E-03 Delta_ex -0.1637136E-02 Delta_ec 0.6655517E-03 Delta_et -0.4269409E-02 Pxc 0.4239042E+01 Qxc -0.2459818E+01 3,+1 70 3 +3 -1.128174 0.655058 -1.758861 Rho 0.4668142E-02 |GRAD(Rho)| 0.3210229E-14 GRAD(Rho)x -0.1406202E-14 GRAD(Rho)y 0.1103961E-14 GRAD(Rho)z -0.2666352E-14 Laplacian 0.1814863E-01 (-1/4)Del**2(Rho)) -0.4537158E-02 Diamond 0.1327348E-03 Metallicity 0.4950807E+00 Ellipticity -0.4865226E+00 Gb(Abramov) 0.3399148E-02 Vb(Abramov) -0.2261139E-02 Hb(Abramov) 0.1138009E-02 Ex_ueg -0.5762051E-03 Ec_ueg -0.1326597E-03 Delta_ex -0.6328826E-03 Delta_ec 0.1115031E-03 Delta_et -0.7804557E-03 Pxc 0.4343484E+01 Qxc -0.5675921E+01 3,+3 71 3 +1 -1.141834 1.435308 0.690766 Rho 0.1219756E-01 |GRAD(Rho)| 0.2424101E-12 GRAD(Rho)x -0.1182486E-12 GRAD(Rho)y 0.1833312E-12 GRAD(Rho)z 0.1056864E-12 Laplacian 0.4907685E-01 (-1/4)Del**2(Rho)) -0.1226921E-01 Diamond 0.2160723E-02 Metallicity 0.9075234E+00 Ellipticity -0.1603524E+01 Gb(Abramov) 0.1003524E-01 Vb(Abramov) -0.7801270E-02 Hb(Abramov) 0.2233971E-02 Ex_ueg -0.2073714E-02 Ec_ueg -0.4686965E-03 Delta_ex -0.2465081E-02 Delta_ec 0.7125729E-03 Delta_et -0.5306921E-02 Pxc 0.4424427E+01 Qxc -0.3459410E+01 3,+1 72 3 +1 1.444233 -1.458395 2.861436 Rho 0.1142559E-01 |GRAD(Rho)| 0.1279280E-12 GRAD(Rho)x 0.1030721E-12 GRAD(Rho)y 0.4894158E-13 GRAD(Rho)z -0.5784841E-13 Laplacian 0.5185674E-01 (-1/4)Del**2(Rho)) -0.1296418E-01 Diamond 0.1663448E-02 Metallicity 0.7702035E+00 Ellipticity -0.1192300E+01 Gb(Abramov) 0.1030697E-01 Vb(Abramov) -0.7649748E-02 Hb(Abramov) 0.2657218E-02 Ex_ueg -0.1900596E-02 Ec_ueg -0.4331174E-03 Delta_ex -0.2430107E-02 Delta_ec 0.5192423E-03 Delta_et -0.3968151E-02 Pxc 0.4388176E+01 Qxc -0.4680102E+01 3,+1 73 3 +1 -0.471819 -3.150032 0.026903 Rho 0.1488180E-01 |GRAD(Rho)| 0.1729475E-16 GRAD(Rho)x 0.8443656E-17 GRAD(Rho)y -0.3565521E-18 GRAD(Rho)z -0.1508927E-16 Laplacian 0.6810772E-01 (-1/4)Del**2(Rho)) -0.1702693E-01 Diamond 0.3787198E-02 Metallicity 0.9109809E+00 Ellipticity -0.1473083E+01 Gb(Abramov) 0.1393649E-01 Vb(Abramov) -0.1084605E-01 Hb(Abramov) 0.3090442E-02 Ex_ueg -0.2703496E-02 Ec_ueg -0.5941854E-03 Delta_ex -0.3570891E-02 Delta_ec 0.9302336E-03 Delta_et -0.7317056E-02 Pxc 0.4549920E+01 Qxc -0.3838703E+01 3,+1 74 3 +1 0.276105 -1.280341 -2.501615 Rho 0.2765369E-01 |GRAD(Rho)| 0.4464560E-13 GRAD(Rho)x 0.2395349E-13 GRAD(Rho)y 0.2763048E-13 GRAD(Rho)z 0.2561282E-13 Laplacian 0.1125941E+00 (-1/4)Del**2(Rho)) -0.2814853E-01 Diamond 0.1817938E-01 Metallicity 0.1547697E+01 Ellipticity -0.5942908E+01 Gb(Abramov) 0.2602658E-01 Vb(Abramov) -0.2390464E-01 Hb(Abramov) 0.2121945E-02 Ex_ueg -0.6176216E-02 Ec_ueg -0.1223229E-02 Delta_ex -0.7314098E-02 Delta_ec 0.2123939E-02 Delta_et -0.1917941E-01 Pxc 0.5049107E+01 Qxc -0.3443649E+01 3,+1 75 3 +3 1.319700 -1.350937 2.646058 Rho 0.1119988E-01 |GRAD(Rho)| 0.7488133E-17 GRAD(Rho)x 0.5141838E-18 GRAD(Rho)y 0.7460697E-17 GRAD(Rho)z 0.3817736E-18 Laplacian 0.5004773E-01 (-1/4)Del**2(Rho)) -0.1251193E-01 Diamond 0.1043586E-02 Metallicity 0.7719411E+00 Ellipticity -0.6391015E+00 Gb(Abramov) 0.9951034E-02 Vb(Abramov) -0.7390136E-02 Hb(Abramov) 0.2560899E-02 Ex_ueg -0.1850700E-02 Ec_ueg -0.4227596E-03 Delta_ex -0.2168420E-02 Delta_ec 0.2079190E-03 Delta_et -0.1884289E-02 Pxc 0.4377665E+01 Qxc -0.1042915E+02 3,+3 76 3 -1 -0.521932 -3.078766 1.571541 Rho 0.2144853E+00 |GRAD(Rho)| 0.4006922E-15 GRAD(Rho)x 0.3310069E-15 GRAD(Rho)y 0.8358775E-16 GRAD(Rho)z 0.2097660E-15 Laplacian 0.8213428E+00 (-1/4)Del**2(Rho)) -0.2053357E+00 Diamond 0.2528691E+01 Metallicity 0.6447894E+01 Ellipticity 0.1617314E-01 Gb(Abramov) 0.3575543E+00 Vb(Abramov) -0.5097728E+00 Hb(Abramov) -0.1522186E+00 Ex_ueg -0.9482330E-01 Ec_ueg -0.1269321E-01 Delta_ex -0.9632823E-01 Delta_ec 0.1864653E-01 Delta_et -0.2565095E+00 Pxc 0.7470393E+01 Qxc -0.5166014E+01 3,-1 77 3 -1 -0.342083 -3.099753 -1.603692 Rho 0.1330316E+00 |GRAD(Rho)| 0.2297628E-15 GRAD(Rho)x 0.2250668E-15 GRAD(Rho)y -0.1674139E-16 GRAD(Rho)z -0.4307671E-16 Laplacian 0.4914206E+00 (-1/4)Del**2(Rho)) -0.1228552E+00 Diamond 0.8698547E+00 Metallicity 0.4861288E+01 Ellipticity 0.1130684E+00 Gb(Abramov) 0.1814425E+00 Vb(Abramov) -0.2400298E+00 Hb(Abramov) -0.5858733E-01 Ex_ueg -0.5015624E-01 Ec_ueg -0.7366311E-02 Delta_ex -0.5134185E-01 Delta_ec 0.1300081E-01 Delta_et -0.1703076E+00 Pxc 0.6808868E+01 Qxc -0.3949125E+01 3,-1 78 3 +3 1.745135 0.337775 -0.016301 Rho 0.3892321E-02 |GRAD(Rho)| 0.2738850E-17 GRAD(Rho)x 0.2345047E-17 GRAD(Rho)y 0.4714932E-18 GRAD(Rho)z 0.1334072E-17 Laplacian 0.1514647E-01 (-1/4)Del**2(Rho)) -0.3786618E-02 Diamond 0.9597955E-04 Metallicity 0.4381769E+00 Ellipticity -0.5087792E+00 Gb(Abramov) 0.2800947E-02 Vb(Abramov) -0.1815275E-02 Hb(Abramov) 0.9856713E-03 Ex_ueg -0.4521994E-03 Ec_ueg -0.9956079E-04 Delta_ex -0.5154921E-03 Delta_ec 0.1150145E-03 Delta_et -0.7285290E-03 Pxc 0.4541942E+01 Qxc -0.4481975E+01 3,+3 79 3 +1 0.077977 0.907097 1.565343 Rho 0.8258429E-02 |GRAD(Rho)| 0.1033004E-16 GRAD(Rho)x 0.1986691E-17 GRAD(Rho)y -0.5669496E-19 GRAD(Rho)z 0.1013704E-16 Laplacian 0.3199626E-01 (-1/4)Del**2(Rho)) -0.7999066E-02 Diamond 0.8026136E-03 Metallicity 0.7266797E+00 Ellipticity -0.1424454E+01 Gb(Abramov) 0.6301504E-02 Vb(Abramov) -0.4603941E-02 Hb(Abramov) 0.1697562E-02 Ex_ueg -0.1232864E-02 Ec_ueg -0.2897233E-03 Delta_ex -0.1443184E-02 Delta_ec 0.4437453E-03 Delta_et -0.3006836E-02 Pxc 0.4255314E+01 Qxc -0.3252281E+01 3,+1 80 3 -1 -0.129643 2.350926 -0.821904 Rho 0.5063645E-01 |GRAD(Rho)| 0.1217866E-12 GRAD(Rho)x -0.3317258E-13 GRAD(Rho)y 0.8211623E-13 GRAD(Rho)z -0.8359717E-13 Laplacian 0.1972927E+00 (-1/4)Del**2(Rho)) -0.4932317E-01 Diamond 0.9971560E-01 Metallicity 0.2420700E+01 Ellipticity 0.1588936E-01 Gb(Abramov) 0.5278155E-01 Vb(Abramov) -0.5623992E-01 Hb(Abramov) -0.3458379E-02 Ex_ueg -0.1383575E-01 Ec_ueg -0.2450085E-02 Delta_ex -0.1620536E-01 Delta_ec 0.5724224E-02 Delta_et -0.6051485E-01 Pxc 0.5647050E+01 Qxc -0.2831013E+01 3,-1 81 3 +1 0.245373 -1.185741 2.529672 Rho 0.2871835E-01 |GRAD(Rho)| 0.2162014E-13 GRAD(Rho)x -0.5319198E-14 GRAD(Rho)y 0.1072021E-13 GRAD(Rho)z 0.1800593E-13 Laplacian 0.1150593E+00 (-1/4)Del**2(Rho)) -0.2876484E-01 Diamond 0.1758955E-01 Metallicity 0.1612960E+01 Ellipticity -0.3403959E+01 Gb(Abramov) 0.2690932E-01 Vb(Abramov) -0.2505379E-01 Hb(Abramov) 0.1855522E-02 Ex_ueg -0.6495277E-02 Ec_ueg -0.1277690E-02 Delta_ex -0.7370791E-02 Delta_ec 0.1851605E-02 Delta_et -0.1691434E-01 Pxc 0.5083611E+01 Qxc -0.3980757E+01 3,+1 82 3 -1 0.041825 -1.154707 -3.506251 Rho 0.9880297E-01 |GRAD(Rho)| 0.7081249E-16 GRAD(Rho)x -0.3572870E-16 GRAD(Rho)y 0.6113545E-16 GRAD(Rho)z -0.5704767E-18 Laplacian 0.3730929E+00 (-1/4)Del**2(Rho)) -0.9327323E-01 Diamond 0.4605021E+00 Metallicity 0.3900134E+01 Ellipticity 0.2389014E-01 Gb(Abramov) 0.1228118E+00 Vb(Abramov) -0.1523504E+00 Hb(Abramov) -0.2953860E-01 Ex_ueg -0.3373482E-01 Ec_ueg -0.5252598E-02 Delta_ex -0.3631229E-01 Delta_ec 0.1052970E-01 Delta_et -0.1306045E+00 Pxc 0.6422502E+01 Qxc -0.3448560E+01 3,-1 83 3 +1 2.056815 -2.054701 -0.163861 Rho 0.5107519E-02 |GRAD(Rho)| 0.2679118E-16 GRAD(Rho)x 0.1365644E-16 GRAD(Rho)y 0.7673583E-17 GRAD(Rho)z -0.2173442E-16 Laplacian 0.2107098E-01 (-1/4)Del**2(Rho)) -0.5267744E-02 Diamond 0.5284005E-03 Metallicity 0.4953876E+00 Ellipticity -0.3906365E+01 Gb(Abramov) 0.3946759E-02 Vb(Abramov) -0.2625773E-02 Hb(Abramov) 0.1320985E-02 Ex_ueg -0.6496285E-03 Ec_ueg -0.1515427E-03 Delta_ex -0.1072492E-02 Delta_ec 0.7001968E-03 Delta_et -0.3812228E-02 Pxc 0.4286768E+01 Qxc -0.1531701E+01 3,+1 84 3 -1 0.056685 -1.142906 3.542023 Rho 0.1250890E+00 |GRAD(Rho)| 0.1048096E-15 GRAD(Rho)x 0.1104531E-16 GRAD(Rho)y -0.8748156E-16 GRAD(Rho)z -0.5665719E-16 Laplacian 0.4716174E+00 (-1/4)Del**2(Rho)) -0.1179044E+00 Diamond 0.7712086E+00 Metallicity 0.4571465E+01 Ellipticity 0.4014864E-01 Gb(Abramov) 0.1684355E+00 Vb(Abramov) -0.2189667E+00 Hb(Abramov) -0.5053116E-01 Ex_ueg -0.4620377E-01 Ec_ueg -0.6868489E-02 Delta_ex -0.4849813E-01 Delta_ec 0.1256815E-01 Delta_et -0.1628055E+00 Pxc 0.6726919E+01 Qxc -0.3858811E+01 3,-1 85 3 -1 1.006528 -0.139378 -3.479693 Rho 0.7310620E-01 |GRAD(Rho)| 0.2144267E-15 GRAD(Rho)x -0.2141655E-15 GRAD(Rho)y 0.1052587E-16 GRAD(Rho)z 0.1065356E-17 Laplacian 0.2940856E+00 (-1/4)Del**2(Rho)) -0.7352140E-01 Diamond 0.2484377E+00 Metallicity 0.2994997E+01 Ellipticity 0.8355795E-02 Gb(Abramov) 0.8571366E-01 Vb(Abramov) -0.9790593E-01 Hb(Abramov) -0.1219227E-01 Ex_ueg -0.2257654E-01 Ec_ueg -0.3727172E-02 Delta_ex -0.2663434E-01 Delta_ec 0.8670268E-02 Delta_et -0.1005876E+00 Pxc 0.6057283E+01 Qxc -0.3071916E+01 3,-1 86 3 +1 1.431298 0.691841 -0.917881 Rho 0.6157499E-02 |GRAD(Rho)| 0.4133310E-17 GRAD(Rho)x -0.3099810E-17 GRAD(Rho)y 0.1286363E-17 GRAD(Rho)z 0.2412613E-17 Laplacian 0.2365137E-01 (-1/4)Del**2(Rho)) -0.5912843E-02 Diamond 0.4180185E-03 Metallicity 0.6026946E+00 Ellipticity -0.1375955E+01 Gb(Abramov) 0.4535835E-02 Vb(Abramov) -0.3158827E-02 Hb(Abramov) 0.1377008E-02 Ex_ueg -0.8335356E-03 Ec_ueg -0.1970598E-03 Delta_ex -0.1005536E-02 Delta_ec 0.3531067E-03 Delta_et -0.2194943E-02 Pxc 0.4229861E+01 Qxc -0.2847683E+01 3,+1 87 3 +3 1.166546 1.024901 1.650843 Rho 0.3853790E-02 |GRAD(Rho)| 0.2798421E-15 GRAD(Rho)x -0.1433575E-15 GRAD(Rho)y 0.6547370E-16 GRAD(Rho)z -0.2312432E-15 Laplacian 0.1570852E-01 (-1/4)Del**2(Rho)) -0.3927129E-02 Diamond 0.1062246E-03 Metallicity 0.4155514E+00 Ellipticity -0.3691385E+00 Gb(Abramov) 0.2890074E-02 Vb(Abramov) -0.1853018E-02 Hb(Abramov) 0.1037056E-02 Ex_ueg -0.4462407E-03 Ec_ueg -0.9792519E-04 Delta_ex -0.5437836E-03 Delta_ec 0.1380926E-03 Delta_et -0.8405274E-03 Pxc 0.4556955E+01 Qxc -0.3937819E+01 3,+3 88 3 -1 0.071883 -0.378964 0.652539 Rho 0.1733400E+00 |GRAD(Rho)| 0.1938626E-15 GRAD(Rho)x 0.1856154E-15 GRAD(Rho)y 0.4857226E-16 GRAD(Rho)z -0.2775558E-16 Laplacian 0.4366746E+00 (-1/4)Del**2(Rho)) -0.1091686E+00 Diamond 0.1073530E+01 Metallicity 0.8503935E+01 Ellipticity 0.8507152E-02 Gb(Abramov) 0.2275063E+00 Vb(Abramov) -0.3458439E+00 Hb(Abramov) -0.1183376E+00 Ex_ueg -0.7138113E-01 Ec_ueg -0.9953994E-02 Delta_ex -0.4877877E-01 Delta_ec 0.1098427E-01 Delta_et -0.1497765E+00 Pxc 0.7171105E+01 Qxc -0.4440785E+01 3,-1 89 3 -1 0.171142 -0.427059 2.451254 Rho 0.4393633E-01 |GRAD(Rho)| 0.6193872E-16 GRAD(Rho)x -0.1302652E-16 GRAD(Rho)y 0.5851939E-18 GRAD(Rho)z 0.6055057E-16 Laplacian 0.1744069E+00 (-1/4)Del**2(Rho)) -0.4360171E-01 Diamond 0.7591335E-01 Metallicity 0.2161503E+01 Ellipticity 0.2468823E-01 Gb(Abramov) 0.4477535E-01 Vb(Abramov) -0.4594898E-01 Hb(Abramov) -0.1173635E-02 Ex_ueg -0.1145030E-01 Ec_ueg -0.2082545E-02 Delta_ex -0.1398792E-01 Delta_ec 0.5361682E-02 Delta_et -0.5467192E-01 Pxc 0.5498224E+01 Qxc -0.2608867E+01 3,-1 90 3 -1 -0.095514 0.012058 -4.494923 Rho 0.2184113E+00 |GRAD(Rho)| 0.4938416E-15 GRAD(Rho)x -0.4480804E-16 GRAD(Rho)y -0.7812354E-16 GRAD(Rho)z 0.4855599E-15 Laplacian 0.8089330E+00 (-1/4)Del**2(Rho)) -0.2022332E+00 Diamond 0.2554793E+01 Metallicity 0.6747752E+01 Ellipticity 0.1691781E-01 Gb(Abramov) 0.3622588E+00 Vb(Abramov) -0.5222843E+00 Hb(Abramov) -0.1600255E+00 Ex_ueg -0.9714456E-01 Ec_ueg -0.1295953E-01 Delta_ex -0.9537493E-01 Delta_ec 0.1837159E-01 Delta_et -0.2533930E+00 Pxc 0.7495995E+01 Qxc -0.5191436E+01 3,-1 91 3 -1 0.167359 -0.394413 -2.433432 Rho 0.5143029E-01 |GRAD(Rho)| 0.4647696E-16 GRAD(Rho)x 0.2821679E-17 GRAD(Rho)y -0.1258585E-16 GRAD(Rho)z 0.4465134E-16 Laplacian 0.2030167E+00 (-1/4)Del**2(Rho)) -0.5075418E-01 Diamond 0.1095042E+00 Metallicity 0.2414236E+01 Ellipticity 0.1855316E-01 Gb(Abramov) 0.5425822E-01 Vb(Abramov) -0.5776225E-01 Hb(Abramov) -0.3504032E-02 Ex_ueg -0.1412571E-01 Ec_ueg -0.2494087E-02 Delta_ex -0.1693657E-01 Delta_ec 0.6238040E-02 Delta_et -0.6632278E-01 Pxc 0.5663682E+01 Qxc -0.2715048E+01 3,-1 92 3 +1 0.520385 -1.746495 -0.042699 Rho 0.8143340E-02 |GRAD(Rho)| 0.5057735E-17 GRAD(Rho)x 0.4696225E-17 GRAD(Rho)y -0.1032867E-17 GRAD(Rho)z 0.1568228E-17 Laplacian 0.3238815E-01 (-1/4)Del**2(Rho)) -0.8097037E-02 Diamond 0.7967912E-03 Metallicity 0.7012905E+00 Ellipticity -0.1392099E+01 Gb(Abramov) 0.6344420E-02 Vb(Abramov) -0.4591804E-02 Hb(Abramov) 0.1752616E-02 Ex_ueg -0.1210009E-02 Ec_ueg -0.2845944E-03 Delta_ex -0.1455559E-02 Delta_ec 0.4489481E-03 Delta_et -0.3031335E-02 Pxc 0.4251695E+01 Qxc -0.3242154E+01 3,+1 93 3 -1 0.082999 -0.360284 -0.678496 Rho 0.1747354E+00 |GRAD(Rho)| 0.5231179E-14 GRAD(Rho)x -0.2818926E-14 GRAD(Rho)y 0.2244732E-14 GRAD(Rho)z 0.3792106E-14 Laplacian 0.4424780E+00 (-1/4)Del**2(Rho)) -0.1106195E+00 Diamond 0.1095578E+01 Metallicity 0.8505303E+01 Ellipticity 0.1328830E-01 Gb(Abramov) 0.2305550E+00 Vb(Abramov) -0.3504906E+00 Hb(Abramov) -0.1199355E+00 Ex_ueg -0.7214834E-01 Ec_ueg -0.1004532E-01 Delta_ex -0.4950362E-01 Delta_ec 0.1106753E-01 Delta_et -0.1509461E+00 Pxc 0.7182285E+01 Qxc -0.4472870E+01 3,-1 94 3 +1 0.599836 3.445752 0.002671 Rho 0.1225460E-01 |GRAD(Rho)| 0.1712646E-16 GRAD(Rho)x -0.7014186E-17 GRAD(Rho)y -0.6266564E-17 GRAD(Rho)z -0.1431248E-16 Laplacian 0.5756867E-01 (-1/4)Del**2(Rho)) -0.1439217E-01 Diamond 0.1879294E-02 Metallicity 0.7796964E+00 Ellipticity -0.1116509E+01 Gb(Abramov) 0.1146503E-01 Vb(Abramov) -0.8537896E-02 Hb(Abramov) 0.2927136E-02 Ex_ueg -0.2086655E-02 Ec_ueg -0.4713349E-03 Delta_ex -0.2706418E-02 Delta_ec 0.4989561E-03 Delta_et -0.3949221E-02 Pxc 0.4427116E+01 Qxc -0.5424161E+01 3,+1 95 3 -1 0.289693 -2.520640 2.715483 Rho 0.1380168E+00 |GRAD(Rho)| 0.1582642E-15 GRAD(Rho)x -0.3941414E-16 GRAD(Rho)y -0.1416781E-15 GRAD(Rho)z -0.5849271E-16 Laplacian 0.5363899E+00 (-1/4)Del**2(Rho)) -0.1340975E+00 Diamond 0.9910291E+00 Metallicity 0.4735355E+01 Ellipticity 0.4728609E-01 Gb(Abramov) 0.1952315E+00 Vb(Abramov) -0.2563655E+00 Hb(Abramov) -0.6113403E-01 Ex_ueg -0.5267781E-01 Ec_ueg -0.7680887E-02 Delta_ex -0.5652602E-01 Delta_ec 0.1403928E-01 Delta_et -0.1849342E+00 Pxc 0.6858297E+01 Qxc -0.4026278E+01 3,-1 96 3 +1 1.452832 -1.487828 -2.859973 Rho 0.1152918E-01 |GRAD(Rho)| 0.9027785E-17 GRAD(Rho)x 0.6802327E-17 GRAD(Rho)y 0.5271840E-17 GRAD(Rho)z -0.2727078E-17 Laplacian 0.5309300E-01 (-1/4)Del**2(Rho)) -0.1327325E-01 Diamond 0.1734207E-02 Metallicity 0.7636721E+00 Ellipticity -0.1190365E+01 Gb(Abramov) 0.1053823E-01 Vb(Abramov) -0.7803220E-02 Hb(Abramov) 0.2735015E-02 Ex_ueg -0.1923608E-02 Ec_ueg -0.4378784E-03 Delta_ex -0.2497150E-02 Delta_ec 0.5369583E-03 Delta_et -0.4106383E-02 Pxc 0.4393018E+01 Qxc -0.4650546E+01 3,+1 97 3 -1 0.396334 -2.562279 -2.737629 Rho 0.1538802E+00 |GRAD(Rho)| 0.1298772E-11 GRAD(Rho)x 0.3282122E-12 GRAD(Rho)y -0.6654753E-12 GRAD(Rho)z 0.1065940E-11 Laplacian 0.6043641E+00 (-1/4)Del**2(Rho)) -0.1510910E+00 Diamond 0.1251719E+01 Metallicity 0.5038318E+01 Ellipticity 0.8162873E-01 Gb(Abramov) 0.2276015E+00 Vb(Abramov) -0.3041119E+00 Hb(Abramov) -0.7651044E-01 Ex_ueg -0.6090159E-01 Ec_ueg -0.8692362E-02 Delta_ex -0.6520485E-01 Delta_ec 0.1504469E-01 Delta_et -0.2005162E+00 Pxc 0.7006334E+01 Qxc -0.4334078E+01 3,-1 98 3 -1 -0.032371 0.775350 -0.006722 Rho 0.1672811E+00 |GRAD(Rho)| 0.7848441E-13 GRAD(Rho)x -0.2307703E-13 GRAD(Rho)y -0.7500944E-13 GRAD(Rho)z -0.9152564E-15 Laplacian 0.4199346E+00 (-1/4)Del**2(Rho)) -0.1049836E+00 Diamond 0.9886708E+00 Metallicity 0.8333796E+01 Ellipticity 0.6441256E-02 Gb(Abramov) 0.2158078E+00 Vb(Abramov) -0.3266320E+00 Hb(Abramov) -0.1108242E+00 Ex_ueg -0.6807392E-01 Ec_ueg -0.9558779E-02 Delta_ex -0.4649130E-01 Delta_ec 0.1065139E-01 Delta_et -0.1445775E+00 Pxc 0.7121613E+01 Qxc -0.4364810E+01 3,-1 99 3 -1 -0.001495 0.850282 3.254547 Rho 0.1192356E+00 |GRAD(Rho)| 0.3260263E-14 GRAD(Rho)x 0.2921473E-14 GRAD(Rho)y -0.1422934E-14 GRAD(Rho)z 0.2637694E-15 Laplacian 0.4867032E+00 (-1/4)Del**2(Rho)) -0.1216758E+00 Diamond 0.7471750E+00 Metallicity 0.4089705E+01 Ellipticity 0.3304091E-02 Gb(Abramov) 0.1640535E+00 Vb(Abramov) -0.2064313E+00 Hb(Abramov) -0.4237775E-01 Ex_ueg -0.4334371E-01 Ec_ueg -0.6504339E-02 Delta_ex -0.4942395E-01 Delta_ec 0.1301649E-01 Delta_et -0.1670616E+00 Pxc 0.6663815E+01 Qxc -0.3797025E+01 3,-1 100 3 -1 -0.041173 0.856973 -3.214581 Rho 0.1395331E+00 |GRAD(Rho)| 0.4475599E-14 GRAD(Rho)x -0.3887859E-14 GRAD(Rho)y 0.2134604E-14 GRAD(Rho)z 0.5991708E-15 Laplacian 0.5726574E+00 (-1/4)Del**2(Rho)) -0.1431644E+00 Diamond 0.1051863E+01 Metallicity 0.4516968E+01 Ellipticity 0.1528490E-01 Gb(Abramov) 0.2032210E+00 Vb(Abramov) -0.2632777E+00 Hb(Abramov) -0.6005668E-01 Ex_ueg -0.5345086E-01 Ec_ueg -0.7776886E-02 Delta_ex -0.6028715E-01 Delta_ec 0.1455426E-01 Delta_et -0.1912320E+00 Pxc 0.6873042E+01 Qxc -0.4142234E+01 3,-1 101 3 +1 1.042558 2.498308 -0.530439 Rho 0.2617908E-01 |GRAD(Rho)| 0.1547361E-14 GRAD(Rho)x 0.6518054E-15 GRAD(Rho)y -0.6950858E-16 GRAD(Rho)z -0.1401658E-14 Laplacian 0.1017955E+00 (-1/4)Del**2(Rho)) -0.2544888E-01 Diamond 0.1270462E-01 Metallicity 0.1562458E+01 Ellipticity -0.2541322E+01 Gb(Abramov) 0.2359305E-01 Vb(Abramov) -0.2173723E-01 Hb(Abramov) 0.1855826E-02 Ex_ueg -0.5741043E-02 Ec_ueg -0.1148260E-02 Delta_ex -0.6258371E-02 Delta_ec 0.1457282E-02 Delta_et -0.1306261E-01 Pxc 0.4999776E+01 Qxc -0.4294551E+01 3,+1 102 3 -1 0.419957 -1.872497 1.571236 Rho 0.5155178E-01 |GRAD(Rho)| 0.3428819E-16 GRAD(Rho)x 0.1646261E-17 GRAD(Rho)y -0.3376527E-16 GRAD(Rho)z 0.5733778E-17 Laplacian 0.2024145E+00 (-1/4)Del**2(Rho)) -0.5060363E-01 Diamond 0.1065950E+00 Metallicity 0.2430959E+01 Ellipticity 0.1726170E-01 Gb(Abramov) 0.5423832E-01 Vb(Abramov) -0.5787300E-01 Hb(Abramov) -0.3634683E-02 Ex_ueg -0.1417022E-01 Ec_ueg -0.2500829E-02 Delta_ex -0.1677488E-01 Delta_ec 0.6002601E-02 Delta_et -0.6379368E-01 Pxc 0.5666211E+01 Qxc -0.2794603E+01 3,-1 103 3 -1 0.545193 -1.868171 -1.627347 Rho 0.4155190E-01 |GRAD(Rho)| 0.3955048E-16 GRAD(Rho)x 0.3711778E-17 GRAD(Rho)y 0.2608523E-16 GRAD(Rho)z 0.2949618E-16 Laplacian 0.1692831E+00 (-1/4)Del**2(Rho)) -0.4232077E-01 Diamond 0.6798597E-01 Metallicity 0.2029167E+01 Ellipticity 0.3417086E-01 Gb(Abramov) 0.4252650E-01 Vb(Abramov) -0.4273222E-01 Hb(Abramov) -0.2057256E-03 Ex_ueg -0.1062934E-01 Ec_ueg -0.1953512E-02 Delta_ex -0.1337346E-01 Delta_ec 0.5174929E-02 Delta_et -0.5197654E-01 Pxc 0.5441143E+01 Qxc -0.2584279E+01 3,-1 104 3 +1 1.512116 1.256944 -2.254930 Rho 0.4982173E-02 |GRAD(Rho)| 0.1392587E-16 GRAD(Rho)x 0.1246595E-16 GRAD(Rho)y -0.1180696E-17 GRAD(Rho)z 0.6093929E-17 Laplacian 0.2034016E-01 (-1/4)Del**2(Rho)) -0.5085039E-02 Diamond 0.4426806E-03 Metallicity 0.4923684E+00 Ellipticity -0.2211614E+01 Gb(Abramov) 0.3807311E-02 Vb(Abramov) -0.2529584E-02 Hb(Abramov) 0.1277728E-02 Ex_ueg -0.6284588E-03 Ec_ueg -0.1461457E-03 Delta_ex -0.9831832E-03 Delta_ec 0.5915532E-03 Delta_et -0.3228982E-02 Pxc 0.4300220E+01 Qxc -0.1662037E+01 3,+1 105 3 +3 1.166931 1.080335 -1.642302 Rho 0.4053029E-02 |GRAD(Rho)| 0.9638081E-17 GRAD(Rho)x 0.8130427E-17 GRAD(Rho)y 0.2497545E-17 GRAD(Rho)z -0.4533324E-17 Laplacian 0.1649960E-01 (-1/4)Del**2(Rho)) -0.4124900E-02 Diamond 0.1201841E-03 Metallicity 0.4303011E+00 Ellipticity -0.3209154E+00 Gb(Abramov) 0.3045758E-02 Vb(Abramov) -0.1966617E-02 Hb(Abramov) 0.1079142E-02 Ex_ueg -0.4772632E-03 Ec_ueg -0.1063912E-03 Delta_ex -0.5794110E-03 Delta_ec 0.1466291E-03 Delta_et -0.9010152E-03 Pxc 0.4485928E+01 Qxc -0.3951541E+01 3,+3 106 3 -1 -0.113501 2.344244 0.861159 Rho 0.4485493E-01 |GRAD(Rho)| 0.2036830E-15 GRAD(Rho)x -0.3318209E-16 GRAD(Rho)y 0.1601911E-15 GRAD(Rho)z 0.1213447E-15 Laplacian 0.1791002E+00 (-1/4)Del**2(Rho)) -0.4477506E-01 Diamond 0.7888376E-01 Metallicity 0.2178716E+01 Ellipticity 0.1736644E-01 Gb(Abramov) 0.4610873E-01 Vb(Abramov) -0.4744240E-01 Hb(Abramov) -0.1333670E-02 Ex_ueg -0.1177060E-01 Ec_ueg -0.2132512E-02 Delta_ex -0.1437370E-01 Delta_ec 0.5389957E-02 Delta_et -0.5524371E-01 Pxc 0.5519595E+01 Qxc -0.2666756E+01 3,-1 107 3 -1 0.550238 -3.929255 2.204130 Rho 0.2308120E+00 |GRAD(Rho)| 0.2705810E-14 GRAD(Rho)x -0.2145135E-14 GRAD(Rho)y -0.1648963E-14 GRAD(Rho)z 0.2694242E-16 Laplacian 0.8595638E+00 (-1/4)Del**2(Rho)) -0.2148910E+00 Diamond 0.2892373E+01 Metallicity 0.6962508E+01 Ellipticity 0.1097588E-01 Gb(Abramov) 0.3926240E+00 Vb(Abramov) -0.5703570E+00 Hb(Abramov) -0.1777330E+00 Ex_ueg -0.1045674E+00 Ec_ueg -0.1380629E-01 Delta_ex -0.1027560E+00 Delta_ec 0.1912590E-01 Delta_et -0.2641788E+00 Pxc 0.7573897E+01 Qxc -0.5372610E+01 3,-1 108 3 -1 0.762587 -3.943285 -2.246964 Rho 0.2254061E+00 |GRAD(Rho)| 0.2429625E-13 GRAD(Rho)x -0.3043396E-14 GRAD(Rho)y 0.2263234E-13 GRAD(Rho)z 0.8295936E-14 Laplacian 0.8204513E+00 (-1/4)Del**2(Rho)) -0.2051128E+00 Diamond 0.2697576E+01 Metallicity 0.7011911E+01 Ellipticity 0.1756097E-02 Gb(Abramov) 0.3764474E+00 Vb(Abramov) -0.5477819E+00 Hb(Abramov) -0.1713346E+00 Ex_ueg -0.1013147E+00 Ec_ueg -0.1343611E-01 Delta_ex -0.9756164E-01 Delta_ec 0.1853065E-01 Delta_et -0.2562901E+00 Pxc 0.7540478E+01 Qxc -0.5264879E+01 3,-1 109 3 -1 0.803769 -3.183162 -0.900370 Rho 0.1233531E+00 |GRAD(Rho)| 0.2629320E-15 GRAD(Rho)x 0.4127930E-16 GRAD(Rho)y 0.8300923E-16 GRAD(Rho)z 0.2460461E-15 Laplacian 0.5092547E+00 (-1/4)Del**2(Rho)) -0.1273137E+00 Diamond 0.8058212E+00 Metallicity 0.4136138E+01 Ellipticity 0.1111949E-01 Gb(Abramov) 0.1726403E+00 Vb(Abramov) -0.2179668E+00 Hb(Abramov) -0.4532659E-01 Ex_ueg -0.4535083E-01 Ec_ueg -0.6760249E-02 Delta_ex -0.5202477E-01 Delta_ec 0.1331434E-01 Delta_et -0.1715462E+00 Pxc 0.6708455E+01 Qxc -0.3907425E+01 3,-1 110 3 +3 1.544596 -1.578142 -0.023153 Rho 0.4109970E-02 |GRAD(Rho)| 0.3474789E-12 GRAD(Rho)x 0.1812297E-12 GRAD(Rho)y -0.1396993E-12 GRAD(Rho)z -0.2614986E-12 Laplacian 0.1670002E-01 (-1/4)Del**2(Rho)) -0.4175006E-02 Diamond 0.1213335E-03 Metallicity 0.4351381E+00 Ellipticity -0.2847776E+00 Gb(Abramov) 0.3086121E-02 Vb(Abramov) -0.1997237E-02 Hb(Abramov) 0.1088885E-02 Ex_ueg -0.4862242E-03 Ec_ueg -0.1088146E-03 Delta_ex -0.5853574E-03 Delta_ec 0.1427408E-03 Delta_et -0.8883229E-03 Pxc 0.4468374E+01 Qxc -0.4100840E+01 3,+3 111 3 -1 0.496103 3.335316 -1.501810 Rho 0.1567792E+00 |GRAD(Rho)| 0.3322162E-15 GRAD(Rho)x 0.1371516E-16 GRAD(Rho)y 0.2499154E-15 GRAD(Rho)z 0.2184532E-15 Laplacian 0.6170697E+00 (-1/4)Del**2(Rho)) -0.1542674E+00 Diamond 0.1320976E+01 Metallicity 0.5090494E+01 Ellipticity 0.4578004E-01 Gb(Abramov) 0.2337278E+00 Vb(Abramov) -0.3131883E+00 Hb(Abramov) -0.7946042E-01 Ex_ueg -0.6243620E-01 Ec_ueg -0.8878886E-02 Delta_ex -0.6701520E-01 Delta_ec 0.1552298E-01 Delta_et -0.2079756E+00 Pxc 0.7031986E+01 Qxc -0.4317160E+01 3,-1 112 3 -1 0.508397 3.333795 1.517587 Rho 0.1441255E+00 |GRAD(Rho)| 0.1385406E-14 GRAD(Rho)x -0.1372546E-14 GRAD(Rho)y 0.1861948E-15 GRAD(Rho)z -0.2828412E-16 Laplacian 0.5625114E+00 (-1/4)Del**2(Rho)) -0.1406278E+00 Diamond 0.1076975E+01 Metallicity 0.4853442E+01 Ellipticity 0.5640893E-01 Gb(Abramov) 0.2075067E+00 Vb(Abramov) -0.2743856E+00 Hb(Abramov) -0.6687890E-01 Ex_ueg -0.5580924E-01 Ec_ueg -0.8068527E-02 Delta_ex -0.5971936E-01 Delta_ec 0.1423469E-01 Delta_et -0.1880266E+00 Pxc 0.6916905E+01 Qxc -0.4195339E+01 3,-1 113 3 +1 1.153041 -0.406890 2.432920 Rho 0.2174356E-01 |GRAD(Rho)| 0.1796600E-14 GRAD(Rho)x -0.8536963E-15 GRAD(Rho)y 0.2459180E-15 GRAD(Rho)z 0.1561570E-14 Laplacian 0.8487505E-01 (-1/4)Del**2(Rho)) -0.2121876E-01 Diamond 0.1029535E-01 Metallicity 0.1375259E+01 Ellipticity -0.6668618E+01 Gb(Abramov) 0.1900939E-01 Vb(Abramov) -0.1680001E-01 Hb(Abramov) 0.2209373E-02 Ex_ueg -0.4482215E-02 Ec_ueg -0.9261982E-03 Delta_ex -0.5234834E-02 Delta_ec 0.1705094E-02 Delta_et -0.1445522E-01 Pxc 0.4839369E+01 Qxc -0.3070114E+01 3,+1 114 3 +1 1.426813 -0.471567 -2.248850 Rho 0.2320413E-01 |GRAD(Rho)| 0.2293506E-14 GRAD(Rho)x 0.2258626E-14 GRAD(Rho)y 0.3462225E-16 GRAD(Rho)z -0.3969604E-15 Laplacian 0.9062635E-01 (-1/4)Del**2(Rho)) -0.2265659E-01 Diamond 0.1183702E-01 Metallicity 0.1435382E+01 Ellipticity -0.7604538E+01 Gb(Abramov) 0.2052453E-01 Vb(Abramov) -0.1839248E-01 Hb(Abramov) 0.2132053E-02 Ex_ueg -0.4888085E-02 Ec_ueg -0.9987269E-03 Delta_ex -0.5662345E-02 Delta_ec 0.1781966E-02 Delta_et -0.1537496E-01 Pxc 0.4894316E+01 Qxc -0.3177583E+01 3,+1 115 3 +1 1.526465 1.333417 2.193957 Rho 0.4854720E-02 |GRAD(Rho)| 0.2941130E-17 GRAD(Rho)x -0.2917856E-17 GRAD(Rho)y -0.3240092E-18 GRAD(Rho)z -0.1771325E-18 Laplacian 0.1954505E-01 (-1/4)Del**2(Rho)) -0.4886262E-02 Diamond 0.4350014E-03 Metallicity 0.4907383E+00 Ellipticity -0.2719652E+01 Gb(Abramov) 0.3657154E-02 Vb(Abramov) -0.2428046E-02 Hb(Abramov) 0.1229108E-02 Ex_ueg -0.6071145E-03 Ec_ueg -0.1406662E-03 Delta_ex -0.9632868E-03 Delta_ec 0.6101496E-03 Delta_et -0.3286556E-02 Pxc 0.4315995E+01 Qxc -0.1578771E+01 3,+1 116 3 +1 1.008589 2.514416 0.543054 Rho 0.2581945E-01 |GRAD(Rho)| 0.3882293E-16 GRAD(Rho)x 0.2505462E-16 GRAD(Rho)y 0.2944127E-16 GRAD(Rho)z 0.3563375E-17 Laplacian 0.1012429E+00 (-1/4)Del**2(Rho)) -0.2531072E-01 Diamond 0.1350429E-01 Metallicity 0.1535183E+01 Ellipticity -0.3305712E+01 Gb(Abramov) 0.2334992E-01 Vb(Abramov) -0.2138911E-01 Hb(Abramov) 0.1960808E-02 Ex_ueg -0.5636130E-02 Ec_ueg -0.1130060E-02 Delta_ex -0.6316089E-02 Delta_ec 0.1655160E-02 Delta_et -0.1473894E-01 Pxc 0.4987461E+01 Qxc -0.3815999E+01 3,+1 117 3 +1 1.559789 -0.663267 0.000385 Rho 0.6718795E-02 |GRAD(Rho)| 0.5815641E-17 GRAD(Rho)x 0.1925344E-17 GRAD(Rho)y -0.1329807E-17 GRAD(Rho)z 0.5324129E-17 Laplacian 0.2602239E-01 (-1/4)Del**2(Rho)) -0.6505598E-02 Diamond 0.5360508E-03 Metallicity 0.6335072E+00 Ellipticity -0.1435485E+01 Gb(Abramov) 0.5023956E-02 Vb(Abramov) -0.3542314E-02 Hb(Abramov) 0.1481642E-02 Ex_ueg -0.9363543E-03 Ec_ueg -0.2216132E-03 Delta_ex -0.1141582E-02 Delta_ec 0.4090181E-03 Delta_et -0.2585330E-02 Pxc 0.4225173E+01 Qxc -0.2791030E+01 3,+1 118 3 -1 1.032784 -0.110104 3.486624 Rho 0.7446496E-01 |GRAD(Rho)| 0.2396820E-15 GRAD(Rho)x -0.2395884E-15 GRAD(Rho)y 0.5997218E-17 GRAD(Rho)z -0.2985156E-17 Laplacian 0.2995546E+00 (-1/4)Del**2(Rho)) -0.7488865E-01 Diamond 0.2581759E+00 Metallicity 0.3031962E+01 Ellipticity 0.7988987E-02 Gb(Abramov) 0.8776903E-01 Vb(Abramov) -0.1006494E+00 Hb(Abramov) -0.1288038E-01 Ex_ueg -0.2313775E-01 Ec_ueg -0.3806270E-02 Delta_ex -0.2722652E-01 Delta_ec 0.8771437E-02 Delta_et -0.1021743E+00 Pxc 0.6078851E+01 Qxc -0.3103998E+01 3,-1 119 3 +3 1.328205 -1.369104 -2.644475 Rho 0.1128367E-01 |GRAD(Rho)| 0.2566297E-16 GRAD(Rho)x -0.1817702E-16 GRAD(Rho)y 0.5317629E-17 GRAD(Rho)z 0.1731781E-16 Laplacian 0.5079919E-01 (-1/4)Del**2(Rho)) -0.1269980E-01 Diamond 0.1064074E-02 Metallicity 0.7700284E+00 Ellipticity -0.6272299E+00 Gb(Abramov) 0.1009640E-01 Vb(Abramov) -0.7493001E-02 Hb(Abramov) 0.2603399E-02 Ex_ueg -0.1869184E-02 Ec_ueg -0.4266023E-03 Delta_ex -0.2203812E-02 Delta_ec 0.2075283E-03 Delta_et -0.1891012E-02 Pxc 0.4381561E+01 Qxc -0.1061933E+02 3,+3 120 3 -1 1.602909 -2.723979 -1.987055 Rho 0.1284438E+00 |GRAD(Rho)| 0.7235764E-14 GRAD(Rho)x -0.5993985E-14 GRAD(Rho)y -0.4046364E-14 GRAD(Rho)z 0.2352922E-15 Laplacian 0.5149046E+00 (-1/4)Del**2(Rho)) -0.1287261E+00 Diamond 0.8576424E+00 Metallicity 0.4375979E+01 Ellipticity 0.4684087E-01 Gb(Abramov) 0.1797012E+00 Vb(Abramov) -0.2306764E+00 Hb(Abramov) -0.5097511E-01 Ex_ueg -0.4786332E-01 Ec_ueg -0.7078247E-02 Delta_ex -0.5314522E-01 Delta_ec 0.1338314E-01 Delta_et -0.1736711E+00 Pxc 0.6762030E+01 Qxc -0.3971059E+01 3,-1 121 3 -1 1.470419 -2.724009 1.961049 Rho 0.8538756E-01 |GRAD(Rho)| 0.4624864E-13 GRAD(Rho)x 0.1285057E-13 GRAD(Rho)y 0.4239890E-13 GRAD(Rho)z -0.1327150E-13 Laplacian 0.3409095E+00 (-1/4)Del**2(Rho)) -0.8522736E-01 Diamond 0.3476738E+00 Metallicity 0.3346816E+01 Ellipticity 0.2208595E-02 Gb(Abramov) 0.1043583E+00 Vb(Abramov) -0.1234892E+00 Hb(Abramov) -0.1913093E-01 Ex_ueg -0.2777013E-01 Ec_ueg -0.4448743E-02 Delta_ex -0.3197917E-01 Delta_ec 0.9735171E-02 Delta_et -0.1169316E+00 Pxc 0.6242242E+01 Qxc -0.3284911E+01 3,-1 122 3 +1 1.613766 -1.359771 -1.718109 Rho 0.2076066E-01 |GRAD(Rho)| 0.9796987E-17 GRAD(Rho)x -0.7458217E-17 GRAD(Rho)y 0.2143958E-17 GRAD(Rho)z -0.5979916E-17 Laplacian 0.7796030E-01 (-1/4)Del**2(Rho)) -0.1949007E-01 Diamond 0.7716737E-02 Metallicity 0.1386144E+01 Ellipticity -0.2992274E+01 Gb(Abramov) 0.1749606E-01 Vb(Abramov) -0.1550204E-01 Hb(Abramov) 0.1994017E-02 Ex_ueg -0.4214117E-02 Ec_ueg -0.8777350E-03 Delta_ex -0.4590329E-02 Delta_ec 0.1278226E-02 Delta_et -0.1079072E-01 Pxc 0.4801127E+01 Qxc -0.3591171E+01 3,+1 123 3 +1 1.545475 -1.434786 1.705212 Rho 0.2165903E-01 |GRAD(Rho)| 0.1708149E-16 GRAD(Rho)x -0.4036612E-17 GRAD(Rho)y -0.1533831E-16 GRAD(Rho)z -0.6341863E-17 Laplacian 0.8255600E-01 (-1/4)Del**2(Rho)) -0.2063900E-01 Diamond 0.9274094E-02 Metallicity 0.1404740E+01 Ellipticity -0.4181980E+01 Gb(Abramov) 0.1859141E-01 Vb(Abramov) -0.1654381E-01 Hb(Abramov) 0.2047594E-02 Ex_ueg -0.4458995E-02 Ec_ueg -0.9220189E-03 Delta_ex -0.4996415E-02 Delta_ec 0.1497297E-02 Delta_et -0.1272497E-01 Pxc 0.4836121E+01 Qxc -0.3336955E+01 3,+1 124 3 -1 1.697453 -0.718927 1.633875 Rho 0.2783270E-01 |GRAD(Rho)| 0.5330013E-16 GRAD(Rho)x 0.5270250E-16 GRAD(Rho)y -0.3029250E-17 GRAD(Rho)z 0.7360293E-17 Laplacian 0.1105681E+00 (-1/4)Del**2(Rho)) -0.2764202E-01 Diamond 0.2495018E-01 Metallicity 0.1593097E+01 Ellipticity 0.7325356E-01 Gb(Abramov) 0.2576742E-01 Vb(Abramov) -0.2389282E-01 Hb(Abramov) 0.1874603E-02 Ex_ueg -0.6229581E-02 Ec_ueg -0.1232367E-02 Delta_ex -0.7847866E-02 Delta_ec 0.3251790E-02 Delta_et -0.2925239E-01 Pxc 0.5054972E+01 Qxc -0.2413399E+01 3,-1 125 3 -1 1.888234 3.050029 -0.712068 Rho 0.1089104E+00 |GRAD(Rho)| 0.6412864E-13 GRAD(Rho)x -0.3652384E-13 GRAD(Rho)y 0.5201837E-13 GRAD(Rho)z 0.8519451E-14 Laplacian 0.4287424E+00 (-1/4)Del**2(Rho)) -0.1071856E+00 Diamond 0.5864987E+00 Metallicity 0.3992077E+01 Ellipticity 0.3406950E-01 Gb(Abramov) 0.1427726E+00 Vb(Abramov) -0.1783596E+00 Hb(Abramov) -0.3558700E-01 Ex_ueg -0.3841293E-01 Ec_ueg -0.5867902E-02 Delta_ex -0.4255662E-01 Delta_ec 0.1160631E-01 Delta_et -0.1463966E+00 Pxc 0.6546280E+01 Qxc -0.3666679E+01 3,-1 126 3 -1 2.717832 1.884585 0.674816 Rho 0.1704434E+00 |GRAD(Rho)| 0.1174327E-11 GRAD(Rho)x -0.9105343E-12 GRAD(Rho)y 0.3287550E-12 GRAD(Rho)z -0.6647492E-12 Laplacian 0.7062486E+00 (-1/4)Del**2(Rho)) -0.1765622E+00 Diamond 0.1630381E+01 Metallicity 0.5112370E+01 Ellipticity 0.4111160E-01 Gb(Abramov) 0.2681500E+00 Vb(Abramov) -0.3597378E+00 Hb(Abramov) -0.9158781E-01 Ex_ueg -0.6979513E-01 Ec_ueg -0.9764782E-02 Delta_ex -0.7796416E-01 Delta_ec 0.1677564E-01 Delta_et -0.2254053E+00 Pxc 0.7147638E+01 Qxc -0.4647464E+01 3,-1 127 3 -1 1.893107 3.065790 0.692225 Rho 0.1139078E+00 |GRAD(Rho)| 0.2996595E-15 GRAD(Rho)x -0.2348111E-15 GRAD(Rho)y 0.1099110E-15 GRAD(Rho)z 0.1502636E-15 Laplacian 0.4451579E+00 (-1/4)Del**2(Rho)) -0.1112895E+00 Diamond 0.6454712E+00 Metallicity 0.4143382E+01 Ellipticity 0.4277721E-01 Gb(Abramov) 0.1510454E+00 Vb(Abramov) -0.1908014E+00 Hb(Abramov) -0.3975597E-01 Ex_ueg -0.4078086E-01 Ec_ueg -0.6174979E-02 Delta_ex -0.4469702E-01 Delta_ec 0.1199726E-01 Delta_et -0.1526800E+00 Pxc 0.6604211E+01 Qxc -0.3725603E+01 3,-1 128 3 -1 1.722306 -0.639263 -1.647989 Rho 0.2788370E-01 |GRAD(Rho)| 0.2513848E-14 GRAD(Rho)x -0.1674452E-14 GRAD(Rho)y -0.1867356E-14 GRAD(Rho)z -0.1691859E-15 Laplacian 0.1099929E+00 (-1/4)Del**2(Rho)) -0.2749822E-01 Diamond 0.2469707E-01 Metallicity 0.1606322E+01 Ellipticity 0.1343438E+00 Gb(Abramov) 0.2569398E-01 Vb(Abramov) -0.2388973E-01 Hb(Abramov) 0.1804242E-02 Ex_ueg -0.6244804E-02 Ec_ueg -0.1234972E-02 Delta_ex -0.7793104E-02 Delta_ec 0.3203804E-02 Delta_et -0.2883815E-01 Pxc 0.5056638E+01 Qxc -0.2432453E+01 3,-1 129 3 -1 2.495671 -0.365697 -2.716036 Rho 0.1737622E+00 |GRAD(Rho)| 0.2871687E-13 GRAD(Rho)x 0.3825499E-14 GRAD(Rho)y -0.2583092E-13 GRAD(Rho)z 0.1194937E-13 Laplacian 0.6707461E+00 (-1/4)Del**2(Rho)) -0.1676865E+00 Diamond 0.1605203E+01 Metallicity 0.5558795E+01 Ellipticity 0.5774215E-01 Gb(Abramov) 0.2671468E+00 Vb(Abramov) -0.3666072E+00 Hb(Abramov) -0.9946033E-01 Ex_ueg -0.7161306E-01 Ec_ueg -0.9981615E-02 Delta_ex -0.7457327E-01 Delta_ec 0.1615121E-01 Delta_et -0.2183317E+00 Pxc 0.7174496E+01 Qxc -0.4617193E+01 3,-1 130 3 -1 2.494065 -0.373820 2.700634 Rho 0.1749743E+00 |GRAD(Rho)| 0.1117429E-12 GRAD(Rho)x -0.4257364E-14 GRAD(Rho)y 0.1053425E-12 GRAD(Rho)z 0.3703090E-13 Laplacian 0.6665985E+00 (-1/4)Del**2(Rho)) -0.1666496E+00 Diamond 0.1613661E+01 Metallicity 0.5658559E+01 Ellipticity 0.4929029E-01 Gb(Abramov) 0.2682659E+00 Vb(Abramov) -0.3698821E+00 Hb(Abramov) -0.1016162E+00 Ex_ueg -0.7227986E-01 Ec_ueg -0.1006096E-01 Delta_ex -0.7428239E-01 Delta_ec 0.1609467E-01 Delta_et -0.2179406E+00 Pxc 0.7184191E+01 Qxc -0.4615341E+01 3,-1 131 3 +1 2.983576 0.595924 -0.047721 Rho 0.1248087E-01 |GRAD(Rho)| 0.2277002E-16 GRAD(Rho)x 0.5098528E-18 GRAD(Rho)y -0.2044234E-16 GRAD(Rho)z -0.1001621E-16 Laplacian 0.6112626E-01 (-1/4)Del**2(Rho)) -0.1528157E-01 Diamond 0.2556458E-02 Metallicity 0.7570541E+00 Ellipticity -0.1286827E+01 Gb(Abramov) 0.1211587E-01 Vb(Abramov) -0.8950179E-02 Hb(Abramov) 0.3165693E-02 Ex_ueg -0.2138184E-02 Ec_ueg -0.4818130E-03 Delta_ex -0.3028154E-02 Delta_ec 0.7794533E-03 Delta_et -0.5911432E-02 Pxc 0.4437787E+01 Qxc -0.3884971E+01 3,+1 132 3 -1 2.722969 -1.552456 -1.989213 Rho 0.1342909E+00 |GRAD(Rho)| 0.2939556E-15 GRAD(Rho)x -0.1239379E-15 GRAD(Rho)y -0.2604254E-15 GRAD(Rho)z -0.5681473E-16 Laplacian 0.5226736E+00 (-1/4)Del**2(Rho)) -0.1306684E+00 Diamond 0.9248482E+00 Metallicity 0.4642945E+01 Ellipticity 0.3827319E-01 Gb(Abramov) 0.1882266E+00 Vb(Abramov) -0.2457849E+00 Hb(Abramov) -0.5755823E-01 Ex_ueg -0.5079026E-01 Ec_ueg -0.7445621E-02 Delta_ex -0.5460600E-01 Delta_ec 0.1357268E-01 Delta_et -0.1776356E+00 Pxc 0.6821494E+01 Qxc -0.4023229E+01 3,-1 133 3 -1 2.691853 -1.620980 2.003508 Rho 0.1723133E+00 |GRAD(Rho)| 0.1943940E-15 GRAD(Rho)x -0.2595309E-16 GRAD(Rho)y 0.1919309E-15 GRAD(Rho)z 0.1667300E-16 Laplacian 0.6621544E+00 (-1/4)Del**2(Rho)) -0.1655386E+00 Diamond 0.1573809E+01 Metallicity 0.5552882E+01 Ellipticity 0.5730136E-01 Gb(Abramov) 0.2635618E+00 Vb(Abramov) -0.3615850E+00 Hb(Abramov) -0.9802319E-01 Ex_ueg -0.7081795E-01 Ec_ueg -0.9886872E-02 Delta_ex -0.7350499E-01 Delta_ec 0.1605357E-01 Delta_et -0.2170264E+00 Pxc 0.7162827E+01 Qxc -0.4578733E+01 3,-1 134 3 -1 2.723429 1.900633 -0.722292 Rho 0.1490244E+00 |GRAD(Rho)| 0.8909442E-14 GRAD(Rho)x -0.1605636E-14 GRAD(Rho)y 0.6422990E-14 GRAD(Rho)z 0.5961987E-14 Laplacian 0.6158861E+00 (-1/4)Del**2(Rho)) -0.1539715E+00 Diamond 0.1221892E+01 Metallicity 0.4686787E+01 Ellipticity 0.2491435E-01 Gb(Abramov) 0.2229196E+00 Vb(Abramov) -0.2918678E+00 Hb(Abramov) -0.6894813E-01 Ex_ueg -0.5835280E-01 Ec_ueg -0.8381093E-02 Delta_ex -0.6586903E-01 Delta_ec 0.1535650E-01 Delta_et -0.2035645E+00 Pxc 0.6962433E+01 Qxc -0.4289324E+01 3,-1 135 3 -1 3.092126 -0.777313 0.901979 Rho 0.1244279E+00 |GRAD(Rho)| 0.8117899E-12 GRAD(Rho)x 0.7012107E-13 GRAD(Rho)y -0.6369379E-13 GRAD(Rho)z -0.8062437E-12 Laplacian 0.5205709E+00 (-1/4)Del**2(Rho)) -0.1301427E+00 Diamond 0.8356306E+00 Metallicity 0.4105156E+01 Ellipticity 0.1506272E-01 Gb(Abramov) 0.1758045E+00 Vb(Abramov) -0.2214663E+00 Hb(Abramov) -0.4566179E-01 Ex_ueg -0.4587846E-01 Ec_ueg -0.6827242E-02 Delta_ex -0.5333364E-01 Delta_ec 0.1365675E-01 Delta_et -0.1763438E+00 Pxc 0.6719911E+01 Qxc -0.3905294E+01 3,-1 136 3 -1 3.104683 -0.722871 -0.913363 Rho 0.1323632E+00 |GRAD(Rho)| 0.3549122E-14 GRAD(Rho)x -0.1177341E-14 GRAD(Rho)y 0.2345366E-14 GRAD(Rho)z -0.2389433E-14 Laplacian 0.5604630E+00 (-1/4)Del**2(Rho)) -0.1401158E+00 Diamond 0.9619556E+00 Metallicity 0.4226802E+01 Ellipticity 0.8574837E-02 Gb(Abramov) 0.1921174E+00 Vb(Abramov) -0.2441191E+00 Hb(Abramov) -0.5200167E-01 Ex_ueg -0.4982052E-01 Ec_ueg -0.7324257E-02 Delta_ex -0.5820016E-01 Delta_ec 0.1433830E-01 Delta_et -0.1867163E+00 Pxc 0.6802126E+01 Qxc -0.4059070E+01 3,-1 137 3 -1 3.244189 3.127818 0.000244 Rho 0.2258052E+00 |GRAD(Rho)| 0.4532571E-15 GRAD(Rho)x 0.4180141E-15 GRAD(Rho)y 0.1540109E-15 GRAD(Rho)z 0.8358739E-16 Laplacian 0.8172636E+00 (-1/4)Del**2(Rho)) -0.2043159E+00 Diamond 0.2697851E+01 Metallicity 0.7060044E+01 Ellipticity 0.3650098E-02 Gb(Abramov) 0.3766238E+00 Vb(Abramov) -0.5489318E+00 Hb(Abramov) -0.1723079E+00 Ex_ueg -0.1015540E+00 Ec_ueg -0.1346339E-01 Delta_ex -0.9725621E-01 Delta_ec 0.1850114E-01 Delta_et -0.2561164E+00 Pxc 0.7542973E+01 Qxc -0.5256768E+01 3,-1 138 3 -1 2.968400 0.424186 -1.623331 Rho 0.1159112E+00 |GRAD(Rho)| 0.7701450E-16 GRAD(Rho)x 0.4925242E-16 GRAD(Rho)y 0.4187731E-16 GRAD(Rho)z -0.4185359E-16 Laplacian 0.4755990E+00 (-1/4)Del**2(Rho)) -0.1188998E+00 Diamond 0.7044519E+00 Metallicity 0.3992524E+01 Ellipticity 0.1461071E-01 Gb(Abramov) 0.1583849E+00 Vb(Abramov) -0.1978700E+00 Hb(Abramov) -0.3948511E-01 Ex_ueg -0.4173996E-01 Ec_ueg -0.6298588E-02 Delta_ex -0.4795473E-01 Delta_ec 0.1277173E-01 Delta_et -0.1630539E+00 Pxc 0.6626876E+01 Qxc -0.3754755E+01 3,-1 139 3 -1 3.887146 -0.719106 2.221072 Rho 0.2232730E+00 |GRAD(Rho)| 0.4073369E-15 GRAD(Rho)x 0.3995827E-15 GRAD(Rho)y 0.2554143E-16 GRAD(Rho)z 0.7486416E-16 Laplacian 0.7943613E+00 (-1/4)Del**2(Rho)) -0.1985903E+00 Diamond 0.2593697E+01 Metallicity 0.7128344E+01 Ellipticity 0.5948038E-02 Gb(Abramov) 0.3683302E+00 Vb(Abramov) -0.5380701E+00 Hb(Abramov) -0.1697399E+00 Ex_ueg -0.1000384E+00 Ec_ueg -0.1329049E-01 Delta_ex -0.9429492E-01 Delta_ec 0.1811186E-01 Delta_et -0.2508583E+00 Pxc 0.7527063E+01 Qxc -0.5206253E+01 3,-1 140 3 -1 3.908348 -0.626866 -2.225670 Rho 0.2256839E+00 |GRAD(Rho)| 0.1853337E-15 GRAD(Rho)x -0.1504873E-15 GRAD(Rho)y -0.4664102E-16 GRAD(Rho)z 0.9760530E-16 Laplacian 0.8004887E+00 (-1/4)Del**2(Rho)) -0.2001222E+00 Diamond 0.2651245E+01 Metallicity 0.7201543E+01 Ellipticity 0.1008249E-01 Gb(Abramov) 0.3736128E+00 Vb(Abramov) -0.5471035E+00 Hb(Abramov) -0.1734907E+00 Ex_ueg -0.1014812E+00 Ec_ueg -0.1345510E-01 Delta_ex -0.9530722E-01 Delta_ec 0.1823226E-01 Delta_et -0.2528252E+00 Pxc 0.7542215E+01 Qxc -0.5227396E+01 3,-1 141 3 -1 1.348267 2.065845 -0.001569 Rho 0.3967766E-01 |GRAD(Rho)| 0.1551093E-11 GRAD(Rho)x 0.1116094E-11 GRAD(Rho)y 0.1077130E-11 GRAD(Rho)z 0.3796144E-14 Laplacian 0.1586465E+00 (-1/4)Del**2(Rho)) -0.3966162E-01 Diamond 0.5994026E-01 Metallicity 0.2004900E+01 Ellipticity 0.1764433E-01 Gb(Abramov) 0.3969401E-01 Vb(Abramov) -0.3972641E-01 Hb(Abramov) -0.3239163E-04 Ex_ueg -0.9994931E-02 Ec_ueg -0.1852789E-02 Delta_ex -0.1239717E-01 Delta_ec 0.4861702E-02 Delta_et -0.4822548E-01 Pxc 0.5394533E+01 Qxc -0.2549965E+01 3,-1 142 3 -1 -2.199519 1.543658 -1.198549 Rho 0.3080177E+00 |GRAD(Rho)| 0.4829509E-15 GRAD(Rho)x 0.2806908E-15 GRAD(Rho)y -0.2492394E-15 GRAD(Rho)z 0.3038650E-15 Laplacian -0.1541250E+01 (-1/4)Del**2(Rho)) 0.3853124E+00 Diamond 0.5266289E+01 Metallicity -0.6281060E+01 Ellipticity 0.1013195E-02 Gb(Abramov) 0.1464868E+00 Vb(Abramov) -0.6782860E+00 Hb(Abramov) -0.5317992E+00 Ex_ueg -0.1536335E+00 Ec_ueg -0.1926786E-01 Delta_ex 0.1507336E+00 Delta_ec 0.5460319E-01 Delta_et -0.1273037E+01 Pxc 0.7973565E+01 Qxc 0.2760527E+01 3,-1 143 3 -1 -1.343821 2.638521 1.644989 Rho 0.1362226E+00 |GRAD(Rho)| 0.1800060E-13 GRAD(Rho)x -0.6610299E-14 GRAD(Rho)y -0.1229094E-13 GRAD(Rho)z 0.1136918E-13 Laplacian 0.5187785E+00 (-1/4)Del**2(Rho)) -0.1296946E+00 Diamond 0.9386384E+00 Metallicity 0.4790491E+01 Ellipticity 0.1024665E+00 Gb(Abramov) 0.1900132E+00 Vb(Abramov) -0.2503318E+00 Hb(Abramov) -0.6031862E-01 Ex_ueg -0.5176674E-01 Ec_ueg -0.7567486E-02 Delta_ex -0.5444150E-01 Delta_ec 0.1352207E-01 Delta_et -0.1775610E+00 Pxc 0.6840678E+01 Qxc -0.4026121E+01 3,-1 144 3 -1 -1.376333 2.639778 -1.606941 Rho 0.1451361E+00 |GRAD(Rho)| 0.3060589E-13 GRAD(Rho)x -0.9651839E-14 GRAD(Rho)y -0.2046361E-13 GRAD(Rho)z -0.2061075E-13 Laplacian 0.5619383E+00 (-1/4)Del**2(Rho)) -0.1404846E+00 Diamond 0.1107579E+01 Metallicity 0.4915301E+01 Ellipticity 0.9067793E-01 Gb(Abramov) 0.2087437E+00 Vb(Abramov) -0.2770028E+00 Hb(Abramov) -0.6825913E-01 Ex_ueg -0.5633161E-01 Ec_ueg -0.8132882E-02 Delta_ex -0.5999642E-01 Delta_ec 0.1461626E-01 Delta_et -0.1941949E+00 Pxc 0.6926402E+01 Qxc -0.4104772E+01 3,-1 145 3 -1 -1.041406 -0.203239 -3.378615 Rho 0.2203268E+00 |GRAD(Rho)| 0.1101966E-12 GRAD(Rho)x -0.5700751E-13 GRAD(Rho)y -0.3937254E-13 GRAD(Rho)z 0.8569266E-13 Laplacian 0.8426296E+00 (-1/4)Del**2(Rho)) -0.2106574E+00 Diamond 0.2666342E+01 Metallicity 0.6572874E+01 Ellipticity 0.1717728E-01 Gb(Abramov) 0.3712090E+00 Vb(Abramov) -0.5317606E+00 Hb(Abramov) -0.1605516E+00 Ex_ueg -0.9828218E-01 Ec_ueg -0.1308977E-01 Delta_ex -0.9943527E-01 Delta_ec 0.1884471E-01 Delta_et -0.2590812E+00 Pxc 0.7508319E+01 Qxc -0.5276562E+01 3,-1 146 3 -1 -1.099996 0.000418 -0.008906 Rho 0.1918645E+00 |GRAD(Rho)| 0.4061115E-13 GRAD(Rho)x 0.2860212E-13 GRAD(Rho)y -0.1293475E-13 GRAD(Rho)z -0.2576579E-13 Laplacian 0.5024591E+00 (-1/4)Del**2(Rho)) -0.1256148E+00 Diamond 0.1340265E+01 Metallicity 0.8753271E+01 Ellipticity 0.7346695E-02 Gb(Abramov) 0.2669999E+00 Vb(Abramov) -0.4083849E+00 Hb(Abramov) -0.1413851E+00 Ex_ueg -0.8172935E-01 Ec_ueg -0.1117544E-01 Delta_ex -0.5717868E-01 Delta_ec 0.1160164E-01 Delta_et -0.1577512E+00 Pxc 0.7313298E+01 Qxc -0.4928500E+01 3,-1 147 3 -1 -1.015042 -0.157972 3.430528 Rho 0.2189391E+00 |GRAD(Rho)| 0.9619079E-13 GRAD(Rho)x -0.3933887E-13 GRAD(Rho)y -0.1274580E-13 GRAD(Rho)z -0.8684852E-13 Laplacian 0.8381457E+00 (-1/4)Del**2(Rho)) -0.2095364E+00 Diamond 0.2629327E+01 Metallicity 0.6538820E+01 Ellipticity 0.1828580E-01 Gb(Abramov) 0.3680444E+00 Vb(Abramov) -0.5265524E+00 Hb(Abramov) -0.1585080E+00 Ex_ueg -0.9745773E-01 Ec_ueg -0.1299540E-01 Delta_ex -0.9872786E-01 Delta_ec 0.1874889E-01 Delta_et -0.2575621E+00 Pxc 0.7499402E+01 Qxc -0.5265798E+01 3,-1 148 3 -1 -0.669950 3.574902 0.822778 Rho 0.1138122E+00 |GRAD(Rho)| 0.5892540E-14 GRAD(Rho)x -0.2179814E-14 GRAD(Rho)y 0.4655740E-14 GRAD(Rho)z 0.2880020E-14 Laplacian 0.4382711E+00 (-1/4)Del**2(Rho)) -0.1095678E+00 Diamond 0.6316039E+00 Metallicity 0.4202605E+01 Ellipticity 0.3974600E-01 Gb(Abramov) 0.1497902E+00 Vb(Abramov) -0.1900126E+00 Hb(Abramov) -0.4022243E-01 Ex_ueg -0.4073525E-01 Ec_ueg -0.6169089E-02 Delta_ex -0.4395015E-01 Delta_ec 0.1173067E-01 Delta_et -0.1491381E+00 Pxc 0.6603122E+01 Qxc -0.3746601E+01 3,-1 149 3 -1 -0.691555 3.597522 -0.776693 Rho 0.1522995E+00 |GRAD(Rho)| 0.6050704E-14 GRAD(Rho)x -0.2278329E-14 GRAD(Rho)y 0.4859814E-14 GRAD(Rho)z -0.2793284E-14 Laplacian 0.5885618E+00 (-1/4)Del**2(Rho)) -0.1471404E+00 Diamond 0.1220672E+01 Metallicity 0.5085323E+01 Ellipticity 0.5051616E-01 Gb(Abramov) 0.2228031E+00 Vb(Abramov) -0.2984657E+00 Hb(Abramov) -0.7566263E-01 Ex_ueg -0.6006890E-01 Ec_ueg -0.8590877E-02 Delta_ex -0.6350119E-01 Delta_ec 0.1498053E-01 Delta_et -0.2000837E+00 Pxc 0.6992173E+01 Qxc -0.4238915E+01 3,-1 150 3 -1 -0.681255 3.822034 2.329898 Rho 0.2274977E+00 |GRAD(Rho)| 0.2966449E-12 GRAD(Rho)x 0.6939927E-13 GRAD(Rho)y -0.2213236E-12 GRAD(Rho)z -0.1849265E-12 Laplacian 0.8360612E+00 (-1/4)Del**2(Rho)) -0.2090153E+00 Diamond 0.2771574E+01 Metallicity 0.6987740E+01 Ellipticity 0.4407702E-02 Gb(Abramov) 0.3827677E+00 Vb(Abramov) -0.5565200E+00 Hb(Abramov) -0.1737523E+00 Ex_ueg -0.1025702E+00 Ec_ueg -0.1357915E-01 Delta_ex -0.9961025E-01 Delta_ec 0.1875096E-01 Delta_et -0.2591218E+00 Pxc 0.7553505E+01 Qxc -0.5312275E+01 3,-1 151 3 -1 -0.174346 2.379024 2.375527 Rho 0.1401829E+00 |GRAD(Rho)| 0.8434754E-16 GRAD(Rho)x -0.3201785E-16 GRAD(Rho)y 0.1395910E-17 GRAD(Rho)z 0.7802190E-16 Laplacian 0.5773380E+00 (-1/4)Del**2(Rho)) -0.1443345E+00 Diamond 0.1061713E+01 Metallicity 0.4515177E+01 Ellipticity 0.2158555E-01 Gb(Abramov) 0.2048390E+00 Vb(Abramov) -0.2653435E+00 Hb(Abramov) -0.6050448E-01 Ex_ueg -0.5378302E-01 Ec_ueg -0.7818072E-02 Delta_ex -0.6079789E-01 Delta_ec 0.1456536E-01 Delta_et -0.1913152E+00 Pxc 0.6879320E+01 Qxc -0.4174144E+01 3,-1 152 3 -1 -0.718522 3.843920 -2.279977 Rho 0.2380074E+00 |GRAD(Rho)| 0.2655282E-13 GRAD(Rho)x -0.2355017E-13 GRAD(Rho)y -0.1220248E-13 GRAD(Rho)z 0.1241520E-14 Laplacian 0.8898052E+00 (-1/4)Del**2(Rho)) -0.2224513E+00 Diamond 0.3097506E+01 Metallicity 0.7078952E+01 Ellipticity 0.2393688E-02 Gb(Abramov) 0.4107546E+00 Vb(Abramov) -0.5990578E+00 Hb(Abramov) -0.1883033E+00 Ex_ueg -0.1089362E+00 Ec_ueg -0.1430148E-01 Delta_ex -0.1071756E+00 Delta_ec 0.1953154E-01 Delta_et -0.2697084E+00 Pxc 0.7617130E+01 Qxc -0.5487309E+01 3,-1 153 3 -1 -0.209415 2.379748 -2.328931 Rho 0.1243349E+00 |GRAD(Rho)| 0.9224086E-16 GRAD(Rho)x -0.2637999E-16 GRAD(Rho)y -0.5879086E-16 GRAD(Rho)z 0.6600081E-16 Laplacian 0.5114739E+00 (-1/4)Del**2(Rho)) -0.1278685E+00 Diamond 0.8284558E+00 Metallicity 0.4172966E+01 Ellipticity 0.1108152E-01 Gb(Abramov) 0.1741774E+00 Vb(Abramov) -0.2204864E+00 Hb(Abramov) -0.4630897E-01 Ex_ueg -0.4583274E-01 Ec_ueg -0.6821441E-02 Delta_ex -0.5249668E-01 Delta_ec 0.1360699E-01 Delta_et -0.1760078E+00 Pxc 0.6718923E+01 Qxc -0.3858065E+01 3,-1 154 3 -1 2.948365 0.349438 1.583930 Rho 0.8678868E-01 |GRAD(Rho)| 0.1075740E-15 GRAD(Rho)x -0.6714515E-16 GRAD(Rho)y 0.7065610E-16 GRAD(Rho)z -0.4551277E-16 Laplacian 0.3577489E+00 (-1/4)Del**2(Rho)) -0.8943721E-01 Diamond 0.3742256E+00 Metallicity 0.3276977E+01 Ellipticity 0.7926457E-02 Gb(Abramov) 0.1084721E+00 Vb(Abramov) -0.1275070E+00 Hb(Abramov) -0.1903487E-01 Ex_ueg -0.2837935E-01 Ec_ueg -0.4531968E-02 Delta_ex -0.3372784E-01 Delta_ec 0.1025920E-01 Delta_et -0.1237322E+00 Pxc 0.6262037E+01 Qxc -0.3287570E+01 3,-1 155 3 -1 -0.056628 0.012328 4.547127 Rho 0.2197370E+00 |GRAD(Rho)| 0.7761775E-15 GRAD(Rho)x -0.2533984E-16 GRAD(Rho)y -0.1274073E-15 GRAD(Rho)z -0.7652299E-15 Laplacian 0.8076454E+00 (-1/4)Del**2(Rho)) -0.2019113E+00 Diamond 0.2572964E+01 Metallicity 0.6827021E+01 Ellipticity 0.1675204E-01 Gb(Abramov) 0.3643497E+00 Vb(Abramov) -0.5267881E+00 Hb(Abramov) -0.1624384E+00 Ex_ueg -0.9793158E-01 Ec_ueg -0.1304965E-01 Delta_ex -0.9539373E-01 Delta_ec 0.1834932E-01 Delta_et -0.2533260E+00 Pxc 0.7504536E+01 Qxc -0.5198761E+01 3,-1 156 3 -1 0.704277 -3.177918 0.861191 Rho 0.1421650E+00 |GRAD(Rho)| 0.3315309E-12 GRAD(Rho)x 0.9759365E-13 GRAD(Rho)y -0.3648942E-13 GRAD(Rho)z -0.3147329E-12 Laplacian 0.5807066E+00 (-1/4)Del**2(Rho)) -0.1451766E+00 Diamond 0.1109383E+01 Metallicity 0.4595270E+01 Ellipticity 0.1362196E-01 Gb(Abramov) 0.2079721E+00 Vb(Abramov) -0.2707675E+00 Hb(Abramov) -0.6279542E-01 Ex_ueg -0.5479935E-01 Ec_ueg -0.7943864E-02 Delta_ex -0.6161274E-01 Delta_ec 0.1504501E-01 Delta_et -0.1989864E+00 Pxc 0.6898324E+01 Qxc -0.4095227E+01 3,-1 157 3 -1 -1.333417 -3.094050 -0.598125 Rho 0.3114155E+00 |GRAD(Rho)| 0.1521675E-13 GRAD(Rho)x 0.1514623E-14 GRAD(Rho)y -0.1510532E-13 GRAD(Rho)z 0.1041518E-14 Laplacian -0.1540486E+01 (-1/4)Del**2(Rho)) 0.3851214E+00 Diamond 0.5295721E+01 Metallicity -0.6400137E+01 Ellipticity 0.6960314E-02 Gb(Abramov) 0.1540574E+00 Vb(Abramov) -0.6932361E+00 Hb(Abramov) -0.5391788E+00 Ex_ueg -0.1558974E+00 Ec_ueg -0.1951577E-01 Delta_ex 0.1514556E+00 Delta_ec 0.5431907E-01 Delta_et -0.1273038E+01 Pxc 0.7988274E+01 Qxc 0.2788259E+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 68 103 109 77 120 97 108 90 106 143 151 148 112 150 124 135 154 133 130 139 91 100 145 85 82 137 141 134 126 125 127 155 89 147 99 84 118 102 76 156 95 121 107 128 138 136 129 132 140 80 153 144 152 111 149 93 50 61 146 59 55 98 88 66 52 54 142 64 157 1 1 1 1 1 1 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 14 14 14 14 15 16 17 19 21 21 23 26 13 24 26 33 39 41 5 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 8 15 20 27 31 40 9 16 19 25 32 38 16 17 24 32 35 37 13 20 22 29 33 42 15 18 21 30 31 34 36 19 28 36 45 46 36 36 47 23 28 46 45 47 2.427287 1.968413 1.957561 1.960014 1.890154 1.740435 1.752827 2.404852 1.943861 1.916853 2.013679 1.916578 1.736198 2.603848 1.963610 2.109313 1.844757 1.840537 1.744800 2.343192 1.917827 1.748845 2.194183 2.072623 1.739907 2.448933 1.893257 1.840085 2.030690 2.012774 1.750471 2.408173 1.751549 1.981496 1.975824 2.185537 2.358874 1.787136 1.936904 1.957809 2.149118 1.758198 2.604323 1.993170 1.938450 1.843656 1.943934 1.740635 2.373208 1.988405 1.941201 1.745738 1.907491 1.920153 1.726606 3.285455 3.235301 1.686480 1.737220 1.724843 1.746065 1.730143 1.724136 2.976787 3.030910 1.006600 1.007822 1.004949 2.428867 1.969193 1.958802 1.960727 1.890868 1.740455 1.752865 2.406302 1.945551 1.917505 2.014475 1.917320 1.736212 2.605575 1.964296 2.109928 1.845166 1.841058 1.744827 2.344866 1.918287 1.748940 2.194951 2.073288 1.739925 2.450530 1.893812 1.840636 2.031449 2.013559 1.750506 2.409879 1.751622 1.982024 1.976585 2.186362 2.360421 1.787194 1.937313 1.958411 2.149688 1.758216 2.606139 1.993881 1.939096 1.844219 1.944548 1.740651 2.374947 1.988886 1.942723 1.745743 1.908024 1.920640 1.726668 3.320239 3.269998 1.686571 1.742019 1.730432 1.746075 1.730194 1.726821 2.982753 3.041689 1.006678 1.007912 1.005031 27 26 26 25 25 24 23 27 25 25 25 25 24 29 25 25 22 22 23 27 25 22 27 30 27 27 25 23 26 25 24 27 23 26 26 27 27 26 24 25 27 24 29 24 25 22 24 23 30 24 24 22 26 25 23 37 36 21 25 25 24 23 25 35 36 18 21 17 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 Mo O Mo Mo Mo Mo Mo O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 2.2669 -0.7716 2.2948 2.2590 2.2215 2.3265 2.2060 -0.7496 -0.7697 2.3423 2.2683 2.4077 -1.0866 -0.9171 -1.1126 -1.0904 -0.8662 -0.9503 -0.7298 -0.9137 -0.7918 -0.9231 -0.7525 -0.9469 -0.9244 -0.7771 -0.8852 -0.7291 -0.8919 -0.8123 -0.9467 -0.9709 -0.9174 -0.9337 -0.9119 2.2354 -0.8424 -0.9019 -0.9116 -0.9158 -0.7469 -0.7579 -0.7378 -0.7703 0.2793 0.2784 0.2710 1.9552 1.9662 1.9594 1.9634 1.9817 1.9404 1.9874 1.9710 1.9667 2.1309 1.9446 2.1102 1.9379 1.9563 1.9311 1.9370 1.9566 1.9345 1.9728 1.9391 1.8742 1.9382 1.8773 1.9337 1.9373 1.8763 1.9468 1.9732 1.9536 1.9608 1.9433 1.9417 1.9438 1.9413 1.9506 0.8786 1.9562 1.9511 1.9490 1.9448 1.9692 1.9700 1.9720 1.9683 0.5607 0.5602 0.5672 6.1100 4.7757 6.0876 6.0945 6.1028 6.0782 6.1084 4.7469 4.7730 6.1211 6.1029 6.1138 5.1145 4.9253 5.1473 5.1193 4.8767 4.9896 4.7261 4.9478 4.8876 4.9607 4.8468 4.9858 4.9621 4.8721 4.9112 4.7248 4.9117 4.8173 4.9746 5.0008 4.9459 4.9627 4.9325 1.3278 4.8538 4.9241 4.9360 4.9439 4.7462 4.7563 4.7338 4.7711 0.1600 0.1614 0.1618 3.6679 0.0296 3.6581 3.6831 3.6941 3.6548 3.6982 0.0317 0.0300 3.3768 3.6842 3.3391 0.0342 0.0355 0.0341 0.0341 0.0329 0.0262 0.0309 0.0267 0.0300 0.0243 0.0284 0.0274 0.0250 0.0287 0.0272 0.0312 0.0266 0.0342 0.0288 0.0284 0.0278 0.0297 0.0289 10.5583 0.0324 0.0267 0.0266 0.0271 0.0315 0.0316 0.0320 0.0310 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0289 0.0000 14.0291 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 Mo O Mo Mo Mo Mo Mo O O W Mo W O O O O O O O O O O O O O O O O O O O O O O O As O O O O O O O O H H H 3.169581 -1.049335 3.168062 3.157335 3.139517 3.169773 3.139383 -1.020908 -1.047255 2.476942 3.167434 2.504791 -1.196209 -0.845745 -1.174648 -1.151613 -0.834068 -1.109534 -1.010702 -1.198965 -0.643512 -1.208635 -0.745803 -1.082513 -1.206929 -0.766767 -1.166074 -1.008141 -1.156029 -0.851097 -1.057545 -1.086298 -1.190620 -1.062206 -1.101189 2.291786 -0.891418 -1.170374 -1.157661 -1.177612 -1.025754 -1.030659 -1.010088 -1.046208 0.033829 0.034987 0.028697 2.345587 -0.835817 2.350882 2.363352 2.349026 2.371905 2.346058 -0.798189 -0.834836 1.934488 2.368294 1.958206 -0.880003 -0.694941 -0.843320 -0.825976 -0.748313 -0.839739 -0.811493 -0.932809 -0.788947 -0.925804 -0.851842 -0.816086 -0.926523 -0.881612 -0.922768 -0.798780 -0.956886 -0.730682 -0.869439 -0.882343 -0.951082 -0.867132 -0.896600 1.689399 -0.789259 -0.962929 -0.932598 -0.951469 -0.794453 -0.806711 -0.771611 -0.825287 0.298760 0.291912 0.278410 2.491862 -0.809691 2.436829 2.443888 2.423249 2.461264 2.430073 -0.754659 -0.810982 2.028573 2.455034 2.037521 -0.928753 -0.696772 -0.888487 -0.867022 -0.796052 -0.925173 -0.834415 -1.003752 -0.839022 -1.025066 -0.943171 -0.913603 -1.007140 -0.924473 -0.988556 -0.814822 -0.981042 -0.705860 -0.916974 -0.958792 -0.993014 -0.910790 -0.912372 1.665482 -0.763874 -0.975804 -0.991446 -1.001261 -0.792489 -0.771984 -0.742537 -0.796875 0.421751 0.352503 0.338698 -17.78968470 0.07386814 -0.62196887 17.80070739 66.82921365 19.01210692 -2.90262318 -27.92386974 8.64394115 -38.90534390 -283.2534 357.4121 -99.1607 -318.3498 -44.6354 -387.9873 Jun11-2024 12:03:24 Nodes: 1 Procs: 1 Jun11-2024 12:03:29 Nodes: 1 Procs: 1 0 Jun11-2024 12:03:34 Nodes: 1 Procs: 1 Jun11-2024 12:03:37 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun11-2024 12:03:42 Nodes: 1 Procs: 1 Jun11-2024 12:03:46 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun11-2024 12:03:50 Nodes: 1 Procs: 1 Jun11-2024 12:03:53 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun11-2024 12:03:59 Nodes: 1 Procs: 1 Jun11-2024 12:04:02 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun11-2024 12:04:08 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -14.10832616 -14.23580166 -14.25101019 -14.25402747 -14.25525070 -14.25617299 -14.25680581 -14.25705672 -14.25745186 -14.25758161 -14.25769272 -14.25778199 -14.25783236 -14.25788076 -14.25803064 -14.25805691 -14.25810511 -14.25813753 -14.25817762 -14.25822957 -14.25825575 -14.25827244 GEOMETRY CONVERGED