ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr07-2024 23:03:06 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.36 0.02 0.40 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 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr07-2024 23:03:07 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.66 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 0 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr07-2024 23:03:08 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.75 0.03 0.82 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 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 0 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr07-2024 23:03:08 Nodes: 1 Procs: 1 Apr07-2024 23:03:08 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr07-2024 23:03:09 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.05 1.42 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 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 0 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr07-2024 23:03:08 Nodes: 1 Procs: 1 Apr07-2024 23:03:08 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr07-2024 23:03:09 Nodes: 1 Procs: 1 Apr07-2024 23:03:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr07-2024 23:03:12 Hydrogen (TZP) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.03 0.52 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 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 0 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr07-2024 23:03:08 Nodes: 1 Procs: 1 Apr07-2024 23:03:08 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr07-2024 23:03:09 Nodes: 1 Procs: 1 Apr07-2024 23:03:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr07-2024 23:03:12 Nodes: 1 Procs: 1 Apr07-2024 23:03:12 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr07-2024 23:03:13 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 1965.8133609999977 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-2.551892 Rho 0.3194107E+03 3,-3 35 3 -3 4.656788 -0.660894 -2.540661 Rho 0.3194027E+03 3,-3 36 3 -3 -0.909851 4.417579 2.799422 Rho 0.3192937E+03 3,-3 37 3 -3 4.612584 -0.740548 2.501979 Rho 0.3192611E+03 3,-3 38 3 -3 -0.469550 3.118529 1.725176 Rho 0.4361415E+07 3,-3 39 3 -3 2.975633 -0.651228 1.893213 Rho 0.4361415E+07 3,-3 40 3 -3 -0.156405 -0.122408 -3.522110 Rho 0.4361415E+07 3,-3 41 3 -3 -0.110309 -0.096637 3.587533 Rho 0.4361415E+07 3,-3 42 3 -3 0.412893 -3.063946 1.843965 Rho 0.4361415E+07 3,-3 43 3 -3 -0.483347 3.117399 -1.700774 Rho 0.4361415E+07 3,-3 44 3 -3 -0.206086 0.019880 -0.005496 Rho 0.2439614E+04 3,-3 45 3 -3 -2.115592 1.314498 1.092872 Rho 0.4282373E+00 3,-3 46 3 -3 -2.128765 1.310639 -1.061318 Rho 0.4281278E+00 3,-3 47 3 -3 -1.365102 -3.046184 -0.361106 Rho 0.4293230E+00 3,-3 48 3 +1 -0.442597 -3.158426 -0.000884 Rho 0.1508227E-01 |GRAD(Rho)| 0.2799061E-16 GRAD(Rho)x 0.2593954E-16 GRAD(Rho)y -0.1413698E-17 GRAD(Rho)z 0.1042189E-16 Laplacian 0.7104333E-01 (-1/4)Del**2(Rho)) -0.1776083E-01 Diamond 0.4005566E-02 Metallicity 0.8930338E+00 Ellipticity -0.1441156E+01 Gb(Abramov) 0.1448406E-01 Vb(Abramov) -0.1120729E-01 Hb(Abramov) 0.3276774E-02 Ex_ueg -0.2752163E-02 Ec_ueg -0.6036638E-03 Delta_ex -0.3734221E-02 Delta_ec 0.9634037E-03 Delta_et -0.7607010E-02 Pxc 0.4559100E+01 Qxc -0.3876071E+01 3,+1 49 3 -1 -1.676879 -0.000039 -1.617935 Rho 0.6470118E-02 |GRAD(Rho)| 0.6507447E-17 GRAD(Rho)x -0.7275881E-19 GRAD(Rho)y -0.7704426E-18 GRAD(Rho)z -0.6461268E-17 Laplacian 0.2472024E-01 (-1/4)Del**2(Rho)) -0.6180060E-02 Diamond 0.8789981E-03 Metallicity 0.6262497E+00 Ellipticity 0.6492535E+00 Gb(Abramov) 0.4765083E-02 Vb(Abramov) -0.3350107E-02 Hb(Abramov) 0.1414976E-02 Ex_ueg -0.8904332E-03 Ec_ueg -0.2107164E-03 Delta_ex -0.1334832E-02 Delta_ec 0.8531387E-03 Delta_et -0.4976042E-02 Pxc 0.4225742E+01 Qxc -0.1564614E+01 3,-1 50 3 +1 -1.385595 -0.075252 -1.622649 Rho 0.6342777E-02 |GRAD(Rho)| 0.1022549E-14 GRAD(Rho)x -0.1355112E-15 GRAD(Rho)y 0.1002254E-14 GRAD(Rho)z 0.1507631E-15 Laplacian 0.2520393E-01 (-1/4)Del**2(Rho)) -0.6300982E-02 Diamond 0.6766153E-03 Metallicity 0.5942154E+00 Ellipticity -0.2165382E+01 Gb(Abramov) 0.4824678E-02 Vb(Abramov) -0.3348374E-02 Hb(Abramov) 0.1476304E-02 Ex_ueg -0.8671434E-03 Ec_ueg -0.2051479E-03 Delta_ex -0.1223232E-02 Delta_ec 0.6332939E-03 Delta_et -0.3755999E-02 Pxc 0.4226919E+01 Qxc -0.1931540E+01 3,+1 51 3 +1 -1.332716 -0.051094 1.654454 Rho 0.5995807E-02 |GRAD(Rho)| 0.2470597E-12 GRAD(Rho)x -0.9356287E-13 GRAD(Rho)y -0.2286242E-12 GRAD(Rho)z -0.3931610E-14 Laplacian 0.2367426E-01 (-1/4)Del**2(Rho)) -0.5918564E-02 Diamond 0.5711649E-03 Metallicity 0.5759917E+00 Ellipticity -0.1944740E+01 Gb(Abramov) 0.4513883E-02 Vb(Abramov) -0.3109203E-02 Hb(Abramov) 0.1404681E-02 Ex_ueg -0.8044800E-03 Ec_ueg -0.1900150E-03 Delta_ex -0.1122177E-02 Delta_ec 0.5715035E-03 Delta_et -0.3346025E-02 Pxc 0.4233772E+01 Qxc -0.1963553E+01 3,+1 52 3 -1 -1.697190 0.091423 1.656313 Rho 0.6217931E-02 |GRAD(Rho)| 0.1154151E-12 GRAD(Rho)x -0.9619362E-13 GRAD(Rho)y -0.6360012E-13 GRAD(Rho)z -0.4739947E-14 Laplacian 0.2335006E-01 (-1/4)Del**2(Rho)) -0.5837514E-02 Diamond 0.7559019E-03 Metallicity 0.6204904E+00 Ellipticity 0.2060574E+01 Gb(Abramov) 0.4495363E-02 Vb(Abramov) -0.3153212E-02 Hb(Abramov) 0.1342151E-02 Ex_ueg -0.8444610E-03 Ec_ueg -0.1996961E-03 Delta_ex -0.1229567E-02 Delta_ec 0.7672630E-03 Delta_et -0.4435611E-02 Pxc 0.4228731E+01 Qxc -0.1602536E+01 3,-1 53 3 -1 0.134929 -0.367724 -2.352786 Rho 0.4980287E-01 |GRAD(Rho)| 0.3443901E-15 GRAD(Rho)x 0.7549160E-16 GRAD(Rho)y -0.8536917E-16 GRAD(Rho)z 0.3249888E-15 Laplacian 0.1925605E+00 (-1/4)Del**2(Rho)) -0.4814012E-01 Diamond 0.9758483E-01 Metallicity 0.2412515E+01 Ellipticity 0.1482031E-01 Gb(Abramov) 0.5144987E-01 Vb(Abramov) -0.5475962E-01 Hb(Abramov) -0.3309751E-02 Ex_ueg -0.1353290E-01 Ec_ueg -0.2403980E-02 Delta_ex -0.1585576E-01 Delta_ec 0.5775882E-02 Delta_et -0.6085345E-01 Pxc 0.5629373E+01 Qxc -0.2745166E+01 3,-1 54 3 -1 -1.082022 -0.201455 -3.332268 Rho 0.2312355E+00 |GRAD(Rho)| 0.1161932E-14 GRAD(Rho)x -0.1159446E-14 GRAD(Rho)y -0.7066288E-16 GRAD(Rho)z 0.2789110E-16 Laplacian 0.8951708E+00 (-1/4)Del**2(Rho)) -0.2237927E+00 Diamond 0.2992671E+01 Metallicity 0.6706016E+01 Ellipticity 0.1621040E-01 Gb(Abramov) 0.3993214E+00 Vb(Abramov) -0.5748501E+00 Hb(Abramov) -0.1755287E+00 Ex_ueg -0.1048233E+00 Ec_ueg -0.1383535E-01 Delta_ex -0.1069173E+00 Delta_ec 0.1964618E-01 Delta_et -0.2702812E+00 Pxc 0.7576480E+01 Qxc -0.5442140E+01 3,-1 55 3 +1 -1.788342 0.278534 -1.665790 Rho 0.6335143E-02 |GRAD(Rho)| 0.3220126E-17 GRAD(Rho)x -0.1796282E-17 GRAD(Rho)y 0.2541780E-17 GRAD(Rho)z -0.8257909E-18 Laplacian 0.2396500E-01 (-1/4)Del**2(Rho)) -0.5991249E-02 Diamond 0.6249461E-03 Metallicity 0.6236819E+00 Ellipticity -0.2229775E+01 Gb(Abramov) 0.4616938E-02 Vb(Abramov) -0.3242628E-02 Hb(Abramov) 0.1374311E-02 Ex_ueg -0.8657522E-03 Ec_ueg -0.2048143E-03 Delta_ex -0.1151042E-02 Delta_ec 0.5811657E-03 Delta_et -0.3455907E-02 Pxc 0.4227010E+01 Qxc -0.1980574E+01 3,+1 56 3 +3 1.786578 0.333831 -0.048621 Rho 0.4015366E-02 |GRAD(Rho)| 0.2029064E-17 GRAD(Rho)x 0.1990254E-17 GRAD(Rho)y 0.2838200E-18 GRAD(Rho)z -0.2746561E-18 Laplacian 0.1623064E-01 (-1/4)Del**2(Rho)) -0.4057660E-02 Diamond 0.1047506E-03 Metallicity 0.4306782E+00 Ellipticity -0.3756186E+00 Gb(Abramov) 0.2996364E-02 Vb(Abramov) -0.1935068E-02 Hb(Abramov) 0.1061296E-02 Ex_ueg -0.4713592E-03 Ec_ueg -0.1047892E-03 Delta_ex -0.5537040E-03 Delta_ec 0.1176146E-03 Delta_et -0.7599481E-03 Pxc 0.4498164E+01 Qxc -0.4707785E+01 3,+3 57 3 +1 1.617177 -0.640321 -0.029888 Rho 0.6862631E-02 |GRAD(Rho)| 0.8877142E-17 GRAD(Rho)x 0.8630360E-17 GRAD(Rho)y -0.1219651E-18 GRAD(Rho)z 0.2075010E-17 Laplacian 0.2780678E-01 (-1/4)Del**2(Rho)) -0.6951694E-02 Diamond 0.6160631E-03 Metallicity 0.6141582E+00 Ellipticity -0.1442810E+01 Gb(Abramov) 0.5346036E-02 Vb(Abramov) -0.3740378E-02 Hb(Abramov) 0.1605658E-02 Ex_ueg -0.9631766E-03 Ec_ueg -0.2279295E-03 Delta_ex -0.1242307E-02 Delta_ec 0.4659280E-03 Delta_et -0.2939548E-02 Pxc 0.4225765E+01 Qxc -0.2666306E+01 3,+1 58 3 +1 1.411647 -1.452861 2.829825 Rho 0.1211057E-01 |GRAD(Rho)| 0.4123023E-16 GRAD(Rho)x 0.3258082E-16 GRAD(Rho)y 0.2415233E-16 GRAD(Rho)z -0.7422067E-17 Laplacian 0.5580310E-01 (-1/4)Del**2(Rho)) -0.1395077E-01 Diamond 0.1985122E-02 Metallicity 0.7886709E+00 Ellipticity -0.1225464E+01 Gb(Abramov) 0.1113428E-01 Vb(Abramov) -0.8317781E-02 Hb(Abramov) 0.2816496E-02 Ex_ueg -0.2054019E-02 Ec_ueg -0.4646757E-03 Delta_ex -0.2669907E-02 Delta_ec 0.5820115E-03 Delta_et -0.4482739E-02 Pxc 0.4420328E+01 Qxc -0.4587378E+01 3,+1 59 3 -1 -1.038048 -0.148405 3.390153 Rho 0.2293045E+00 |GRAD(Rho)| 0.3693271E-13 GRAD(Rho)x -0.2110757E-13 GRAD(Rho)y 0.3020987E-13 GRAD(Rho)z -0.2420536E-14 Laplacian 0.8884987E+00 (-1/4)Del**2(Rho)) -0.2221247E+00 Diamond 0.2937288E+01 Metallicity 0.6662603E+01 Ellipticity 0.1757462E-01 Gb(Abramov) 0.3947379E+00 Vb(Abramov) -0.5673511E+00 Hb(Abramov) -0.1726132E+00 Ex_ueg -0.1036578E+00 Ec_ueg -0.1370290E-01 Delta_ex -0.1058702E+00 Delta_ec 0.1951493E-01 Delta_et -0.2682518E+00 Pxc 0.7564660E+01 Qxc -0.5425090E+01 3,-1 60 3 -1 0.021865 -1.159504 -3.459880 Rho 0.1254130E+00 |GRAD(Rho)| 0.6381087E-15 GRAD(Rho)x 0.4961580E-16 GRAD(Rho)y -0.6360337E-15 GRAD(Rho)z 0.1349832E-16 Laplacian 0.4873034E+00 (-1/4)Del**2(Rho)) -0.1218258E+00 Diamond 0.8102420E+00 Metallicity 0.4443429E+01 Ellipticity 0.2330169E-01 Gb(Abramov) 0.1714380E+00 Vb(Abramov) -0.2210501E+00 Hb(Abramov) -0.4961213E-01 Ex_ueg -0.4636340E-01 Ec_ueg -0.6888713E-02 Delta_ex -0.5028011E-01 Delta_ec 0.1322441E-01 Delta_et -0.1718132E+00 Pxc 0.6730343E+01 Qxc -0.3802069E+01 3,-1 61 3 +3 -1.067142 0.670262 -1.715569 Rho 0.4923281E-02 |GRAD(Rho)| 0.3968035E-17 GRAD(Rho)x 0.2297707E-17 GRAD(Rho)y 0.2937990E-17 GRAD(Rho)z -0.1354275E-17 Laplacian 0.1991429E-01 (-1/4)Del**2(Rho)) -0.4978572E-02 Diamond 0.1616722E-03 Metallicity 0.4930294E+00 Ellipticity -0.5639350E+00 Gb(Abramov) 0.3728145E-02 Vb(Abramov) -0.2477718E-02 Hb(Abramov) 0.1250427E-02 Ex_ueg -0.6185734E-03 Ec_ueg -0.1436128E-03 Delta_ex -0.7092680E-03 Delta_ec 0.1309116E-03 Delta_et -0.9086053E-03 Pxc 0.4307231E+01 Qxc -0.5417916E+01 3,+3 62 3 +1 -1.745134 0.214531 1.674478 Rho 0.6206507E-02 |GRAD(Rho)| 0.3041519E-12 GRAD(Rho)x -0.2580269E-12 GRAD(Rho)y -0.1605622E-12 GRAD(Rho)z -0.1225985E-13 Laplacian 0.2320986E-01 (-1/4)Del**2(Rho)) -0.5802465E-02 Diamond 0.6538041E-03 Metallicity 0.6223280E+00 Ellipticity -0.3820112E+01 Gb(Abramov) 0.4470150E-02 Vb(Abramov) -0.3137834E-02 Hb(Abramov) 0.1332316E-02 Ex_ueg -0.8423929E-03 Ec_ueg -0.1991976E-03 Delta_ex -0.1155129E-02 Delta_ec 0.6437236E-03 Delta_et -0.3764060E-02 Pxc 0.4228932E+01 Qxc -0.1794449E+01 3,+1 63 3 +1 -1.500427 1.109247 -2.439724 Rho 0.8159746E-02 |GRAD(Rho)| 0.2845872E-16 GRAD(Rho)x -0.2522308E-16 GRAD(Rho)y -0.1285233E-16 GRAD(Rho)z -0.2917676E-17 Laplacian 0.3628696E-01 (-1/4)Del**2(Rho)) -0.9071741E-02 Diamond 0.1121957E-02 Metallicity 0.6280443E+00 Ellipticity -0.1518672E+01 Gb(Abramov) 0.6997403E-02 Vb(Abramov) -0.4923065E-02 Hb(Abramov) 0.2074338E-02 Ex_ueg -0.1213260E-02 Ec_ueg -0.2853252E-03 Delta_ex -0.1741213E-02 Delta_ec 0.6986874E-03 Delta_et -0.4556116E-02 Pxc 0.4252201E+01 Qxc -0.2492121E+01 3,+1 64 3 +1 -1.103729 1.429839 -0.684838 Rho 0.1297578E-01 |GRAD(Rho)| 0.1915577E-16 GRAD(Rho)x -0.1254583E-16 GRAD(Rho)y -0.3656501E-17 GRAD(Rho)z -0.1400628E-16 Laplacian 0.5537989E-01 (-1/4)Del**2(Rho)) -0.1384497E-01 Diamond 0.2666338E-02 Metallicity 0.8915591E+00 Ellipticity -0.1556402E+01 Gb(Abramov) 0.1128725E-01 Vb(Abramov) -0.8729528E-02 Hb(Abramov) 0.2557722E-02 Ex_ueg -0.2251972E-02 Ec_ueg -0.5047997E-03 Delta_ex -0.2830080E-02 Delta_ec 0.8099270E-03 Delta_et -0.6122934E-02 Pxc 0.4461120E+01 Qxc -0.3494241E+01 3,+1 65 3 +1 -1.103517 1.426360 0.699372 Rho 0.1295483E-01 |GRAD(Rho)| 0.1892440E-16 GRAD(Rho)x 0.1543900E-16 GRAD(Rho)y 0.4001296E-18 GRAD(Rho)z -0.1093665E-16 Laplacian 0.5557580E-01 (-1/4)Del**2(Rho)) -0.1389395E-01 Diamond 0.2695991E-02 Metallicity 0.8860271E+00 Ellipticity -0.1562077E+01 Gb(Abramov) 0.1131437E-01 Vb(Abramov) -0.8734789E-02 Hb(Abramov) 0.2579581E-02 Ex_ueg -0.2247126E-02 Ec_ueg -0.5038248E-03 Delta_ex -0.2845717E-02 Delta_ec 0.8249688E-03 Delta_et -0.6226159E-02 Pxc 0.4460133E+01 Qxc -0.3449484E+01 3,+1 66 3 +3 -1.477253 2.018834 0.009707 Rho 0.6889321E-02 |GRAD(Rho)| 0.1462562E-14 GRAD(Rho)x 0.5881299E-15 GRAD(Rho)y 0.7117423E-15 GRAD(Rho)z -0.1134290E-14 Laplacian 0.2988159E-01 (-1/4)Del**2(Rho)) -0.7470398E-02 Diamond 0.4271765E-03 Metallicity 0.5752237E+00 Ellipticity -0.6541231E+00 Gb(Abramov) 0.5696457E-02 Vb(Abramov) -0.3922516E-02 Hb(Abramov) 0.1773941E-02 Ex_ueg -0.9681744E-03 Ec_ueg -0.2291026E-03 Delta_ex -0.1191895E-02 Delta_ec 0.2429710E-03 Delta_et -0.1720680E-02 Pxc 0.4225942E+01 Qxc -0.4905503E+01 3,+3 67 3 +3 -1.008811 0.681042 1.727341 Rho 0.4685539E-02 |GRAD(Rho)| 0.5502924E-15 GRAD(Rho)x -0.1124754E-16 GRAD(Rho)y -0.2575371E-15 GRAD(Rho)z 0.4861789E-15 Laplacian 0.1891843E-01 (-1/4)Del**2(Rho)) -0.4729607E-02 Diamond 0.1427322E-03 Metallicity 0.4778894E+00 Ellipticity -0.5447338E+00 Gb(Abramov) 0.3529776E-02 Vb(Abramov) -0.2329945E-02 Hb(Abramov) 0.1199831E-02 Ex_ueg -0.5790701E-03 Ec_ueg -0.1334055E-03 Delta_ex -0.6640965E-03 Delta_ec 0.1228561E-03 Delta_et -0.8467644E-03 Pxc 0.4340678E+01 Qxc -0.5405482E+01 3,+3 68 3 +1 -1.456564 1.161661 2.483329 Rho 0.8367714E-02 |GRAD(Rho)| 0.5436526E-15 GRAD(Rho)x 0.4987857E-15 GRAD(Rho)y 0.7383558E-16 GRAD(Rho)z 0.2032715E-15 Laplacian 0.3788575E-01 (-1/4)Del**2(Rho)) -0.9471439E-02 Diamond 0.1174975E-02 Metallicity 0.6273096E+00 Ellipticity -0.1466975E+01 Gb(Abramov) 0.7304546E-02 Vb(Abramov) -0.5137654E-02 Hb(Abramov) 0.2166892E-02 Ex_ueg -0.1254664E-02 Ec_ueg -0.2945990E-03 Delta_ex -0.1811471E-02 Delta_ec 0.6985186E-03 Delta_et -0.4605327E-02 Pxc 0.4258888E+01 Qxc -0.2593303E+01 3,+1 69 3 +3 -0.933247 -1.767291 -0.062563 Rho 0.3842640E-02 |GRAD(Rho)| 0.2211710E-16 GRAD(Rho)x 0.1384857E-16 GRAD(Rho)y -0.1721679E-16 GRAD(Rho)z 0.9825582E-18 Laplacian 0.1531403E-01 (-1/4)Del**2(Rho)) -0.3828507E-02 Diamond 0.1519379E-03 Metallicity 0.4242025E+00 Ellipticity -0.8845570E+00 Gb(Abramov) 0.2823015E-02 Vb(Abramov) -0.1817523E-02 Hb(Abramov) 0.1005492E-02 Ex_ueg -0.4445201E-03 Ec_ueg -0.9745203E-04 Delta_ex -0.5940912E-03 Delta_ec 0.2495204E-03 Delta_et -0.1347853E-02 Pxc 0.4561425E+01 Qxc -0.2380932E+01 3,+3 70 3 -1 -0.133568 -0.010926 -4.464477 Rho 0.2308074E+00 |GRAD(Rho)| 0.1740884E-14 GRAD(Rho)x -0.3442342E-16 GRAD(Rho)y -0.1926898E-15 GRAD(Rho)z 0.1729845E-14 Laplacian 0.8584353E+00 (-1/4)Del**2(Rho)) -0.2146088E+00 Diamond 0.2891171E+01 Metallicity 0.6971430E+01 Ellipticity 0.1880463E-01 Gb(Abramov) 0.3924276E+00 Vb(Abramov) -0.5702464E+00 Hb(Abramov) -0.1778188E+00 Ex_ueg -0.1045646E+00 Ec_ueg -0.1380597E-01 Delta_ex -0.1026355E+00 Delta_ec 0.1912757E-01 Delta_et -0.2643142E+00 Pxc 0.7573869E+01 Qxc -0.5365840E+01 3,-1 71 3 -1 -1.957021 0.899352 0.729143 Rho 0.4361927E-01 |GRAD(Rho)| 0.1127282E-13 GRAD(Rho)x -0.1305185E-14 GRAD(Rho)y -0.5290967E-14 GRAD(Rho)z -0.9868064E-14 Laplacian 0.1168899E+00 (-1/4)Del**2(Rho)) -0.2922248E-01 Diamond 0.7454292E-01 Metallicity 0.3186399E+01 Ellipticity 0.3915624E-02 Gb(Abramov) 0.3500073E-01 Vb(Abramov) -0.4077898E-01 Hb(Abramov) -0.5778251E-02 Ex_ueg -0.1134026E-01 Ec_ueg -0.2065331E-02 Delta_ex -0.1060744E-01 Delta_ec 0.5824259E-02 Delta_et -0.5965390E-01 Pxc 0.5490769E+01 Qxc -0.1821252E+01 3,-1 72 3 -1 -0.087761 0.023972 4.528111 Rho 0.2321298E+00 |GRAD(Rho)| 0.7892798E-15 GRAD(Rho)x -0.3009339E-16 GRAD(Rho)y -0.1394013E-15 GRAD(Rho)z -0.7762888E-15 Laplacian 0.8521373E+00 (-1/4)Del**2(Rho)) -0.2130343E+00 Diamond 0.2897318E+01 Metallicity 0.7090143E+01 Ellipticity 0.1748816E-01 Gb(Abramov) 0.3937635E+00 Vb(Abramov) -0.5744927E+00 Hb(Abramov) -0.1807292E+00 Ex_ueg -0.1053641E+00 Ec_ueg -0.1389676E-01 Delta_ex -0.1020761E+00 Delta_ec 0.1903073E-01 Delta_et -0.2633587E+00 Pxc 0.7581920E+01 Qxc -0.5363752E+01 3,-1 73 3 +1 0.263916 -1.307830 2.348876 Rho 0.2537484E-01 |GRAD(Rho)| 0.8485014E-15 GRAD(Rho)x -0.1823298E-15 GRAD(Rho)y -0.1928573E-15 GRAD(Rho)z 0.8059259E-15 Laplacian 0.1023302E+00 (-1/4)Del**2(Rho)) -0.2558256E-01 Diamond 0.1503330E-01 Metallicity 0.1475530E+01 Ellipticity -0.7157193E+01 Gb(Abramov) 0.2334634E-01 Vb(Abramov) -0.2111013E-01 Hb(Abramov) 0.2236212E-02 Ex_ueg -0.5507099E-02 Ec_ueg -0.1107605E-02 Delta_ex -0.6535890E-02 Delta_ec 0.1997392E-02 Delta_et -0.1763782E-01 Pxc 0.4972076E+01 Qxc -0.3272212E+01 3,+1 74 3 -1 0.036007 -1.126642 3.503608 Rho 0.1328514E+00 |GRAD(Rho)| 0.2335787E-12 GRAD(Rho)x -0.1911736E-12 GRAD(Rho)y 0.1305671E-12 GRAD(Rho)z -0.3104669E-13 Laplacian 0.5176698E+00 (-1/4)Del**2(Rho)) -0.1294174E+00 Diamond 0.9182812E+00 Metallicity 0.4604373E+01 Ellipticity 0.2683514E-01 Gb(Abramov) 0.1855926E+00 Vb(Abramov) -0.2417679E+00 Hb(Abramov) -0.5617521E-01 Ex_ueg -0.5006564E-01 Ec_ueg -0.7354967E-02 Delta_ex -0.5410704E-01 Delta_ec 0.1377193E-01 Delta_et -0.1805069E+00 Pxc 0.6807052E+01 Qxc -0.3928792E+01 3,-1 75 3 +1 0.558478 -1.772936 -0.036967 Rho 0.7423505E-02 |GRAD(Rho)| 0.2143486E-16 GRAD(Rho)x 0.4661858E-17 GRAD(Rho)y -0.1936910E-16 GRAD(Rho)z 0.7909382E-17 Laplacian 0.3066179E-01 (-1/4)Del**2(Rho)) -0.7665446E-02 Diamond 0.7121127E-03 Metallicity 0.6348884E+00 Ellipticity -0.1389217E+01 Gb(Abramov) 0.5921415E-02 Vb(Abramov) -0.4177383E-02 Hb(Abramov) 0.1744032E-02 Ex_ueg -0.1069540E-02 Ec_ueg -0.2526520E-03 Delta_ex -0.1372085E-02 Delta_ec 0.4710990E-03 Delta_et -0.3066334E-02 Pxc 0.4233254E+01 Qxc -0.2912520E+01 3,+1 76 3 -1 -0.019360 0.636980 0.001899 Rho 0.1844667E+00 |GRAD(Rho)| 0.1306412E-15 GRAD(Rho)x 0.6092907E-16 GRAD(Rho)y 0.9089329E-16 GRAD(Rho)z 0.7136660E-16 Laplacian 0.5465875E+00 (-1/4)Del**2(Rho)) -0.1366469E+00 Diamond 0.1576751E+01 Metallicity 0.7536163E+01 Ellipticity 0.2248586E-02 Gb(Abramov) 0.2627301E+00 Vb(Abramov) -0.3888133E+00 Hb(Abramov) -0.1260832E+00 Ex_ueg -0.7755488E-01 Ec_ueg -0.1068531E-01 Delta_ex -0.6298769E-01 Delta_ec 0.1526727E-01 Delta_et -0.2148846E+00 Pxc 0.7258087E+01 Qxc -0.4125668E+01 3,-1 77 3 -1 0.164299 -0.369876 2.377408 Rho 0.4064055E-01 |GRAD(Rho)| 0.5364326E-14 GRAD(Rho)x -0.2145135E-14 GRAD(Rho)y -0.5042168E-15 GRAD(Rho)z -0.4890823E-14 Laplacian 0.1539733E+00 (-1/4)Del**2(Rho)) -0.3849332E-01 Diamond 0.5859662E-01 Metallicity 0.2149977E+01 Ellipticity 0.1254320E-01 Gb(Abramov) 0.3945551E-01 Vb(Abramov) -0.4041769E-01 Hb(Abramov) -0.9621845E-03 Ex_ueg -0.1031964E-01 Ec_ueg -0.1904457E-02 Delta_ex -0.1201775E-01 Delta_ec 0.4565091E-02 Delta_et -0.4555996E-01 Pxc 0.5418679E+01 Qxc -0.2632532E+01 3,-1 78 3 +1 0.356460 -1.587111 -2.162545 Rho 0.2405992E-01 |GRAD(Rho)| 0.1144868E-15 GRAD(Rho)x -0.8102395E-16 GRAD(Rho)y -0.7684992E-16 GRAD(Rho)z 0.2522751E-16 Laplacian 0.9509514E-01 (-1/4)Del**2(Rho)) -0.2377378E-01 Diamond 0.1139739E-01 Metallicity 0.1453043E+01 Ellipticity -0.2892917E+01 Gb(Abramov) 0.2160658E-01 Vb(Abramov) -0.1943938E-01 Hb(Abramov) 0.2167204E-02 Ex_ueg -0.5129922E-02 Ec_ueg -0.1041500E-02 Delta_ex -0.5808421E-02 Delta_ec 0.1531887E-02 Delta_et -0.1341684E-01 Pxc 0.4925512E+01 Qxc -0.3791676E+01 3,+1 79 3 -1 0.053499 -0.244822 -0.522568 Rho 0.1951928E+00 |GRAD(Rho)| 0.1461136E-11 GRAD(Rho)x -0.8612233E-12 GRAD(Rho)y 0.3718043E-12 GRAD(Rho)z 0.1120256E-11 Laplacian 0.6432474E+00 (-1/4)Del**2(Rho)) -0.1608118E+00 Diamond 0.1972734E+01 Metallicity 0.7036254E+01 Ellipticity 0.2048438E-01 Gb(Abramov) 0.2957934E+00 Vb(Abramov) -0.4307750E+00 Hb(Abramov) -0.1349816E+00 Ex_ueg -0.8362514E-01 Ec_ueg -0.1139696E-01 Delta_ex -0.7507257E-01 Delta_ec 0.1755049E-01 Delta_et -0.2484764E+00 Pxc 0.7337492E+01 Qxc -0.4277521E+01 3,-1 80 3 -1 0.059554 -0.257421 0.504751 Rho 0.1922316E+00 |GRAD(Rho)| 0.1833228E-13 GRAD(Rho)x -0.8162977E-14 GRAD(Rho)y 0.7434645E-14 GRAD(Rho)z -0.1463435E-13 Laplacian 0.6124837E+00 (-1/4)Del**2(Rho)) -0.1531209E+00 Diamond 0.1855316E+01 Metallicity 0.7203771E+01 Ellipticity 0.1074669E-01 Gb(Abramov) 0.2859220E+00 Vb(Abramov) -0.4187230E+00 Hb(Abramov) -0.1328010E+00 Ex_ueg -0.8193788E-01 Ec_ueg -0.1119984E-01 Delta_ex -0.7129191E-01 Delta_ec 0.1691758E-01 Delta_et -0.2394356E+00 Pxc 0.7315985E+01 Qxc -0.4214072E+01 3,-1 81 3 -1 0.522143 -1.840880 -1.558177 Rho 0.3132062E-01 |GRAD(Rho)| 0.2074759E-16 GRAD(Rho)x 0.5089424E-17 GRAD(Rho)y 0.1744729E-16 GRAD(Rho)z -0.1000761E-16 Laplacian 0.1253870E+00 (-1/4)Del**2(Rho)) -0.3134674E-01 Diamond 0.3415710E-01 Metallicity 0.1710322E+01 Ellipticity 0.5212782E-01 Gb(Abramov) 0.2983333E-01 Vb(Abramov) -0.2831993E-01 Hb(Abramov) 0.1513409E-02 Ex_ueg -0.7291645E-02 Ec_ueg -0.1411925E-02 Delta_ex -0.9233573E-02 Delta_ec 0.3819800E-02 Delta_et -0.3550350E-01 Pxc 0.5164327E+01 Qxc -0.2417293E+01 3,-1 82 3 +1 1.450340 -1.477220 -2.845685 Rho 0.1186651E-01 |GRAD(Rho)| 0.1763510E-16 GRAD(Rho)x -0.1569125E-16 GRAD(Rho)y 0.5052737E-17 GRAD(Rho)z -0.6265106E-17 Laplacian 0.5549938E-01 (-1/4)Del**2(Rho)) -0.1387484E-01 Diamond 0.1957909E-02 Metallicity 0.7665310E+00 Ellipticity -0.1223606E+01 Gb(Abramov) 0.1102248E-01 Vb(Abramov) -0.8170115E-02 Hb(Abramov) 0.2852365E-02 Ex_ueg -0.1999012E-02 Ec_ueg -0.4534099E-03 Delta_ex -0.2651923E-02 Delta_ec 0.5988285E-03 Delta_et -0.4571903E-02 Pxc 0.4408841E+01 Qxc -0.4428519E+01 3,+1 83 3 +1 1.383769 -1.535741 1.634683 Rho 0.2133532E-01 |GRAD(Rho)| 0.3396732E-16 GRAD(Rho)x 0.1562861E-16 GRAD(Rho)y -0.2166341E-16 GRAD(Rho)z 0.2098148E-16 Laplacian 0.8176248E-01 (-1/4)Del**2(Rho)) -0.2044062E-01 Diamond 0.9243716E-02 Metallicity 0.1383219E+01 Ellipticity -0.4740907E+01 Gb(Abramov) 0.1833939E-01 Vb(Abramov) -0.1623816E-01 Hb(Abramov) 0.2101231E-02 Ex_ueg -0.4370359E-02 Ec_ueg -0.9060346E-03 Delta_ex -0.4962040E-02 Delta_ec 0.1542001E-02 Delta_et -0.1303612E-01 Pxc 0.4823612E+01 Qxc -0.3217923E+01 3,+1 84 3 -1 -0.827810 0.017685 0.000767 Rho 0.2162485E+00 |GRAD(Rho)| 0.2766325E-14 GRAD(Rho)x 0.1820798E-14 GRAD(Rho)y -0.6116967E-15 GRAD(Rho)z 0.1990748E-14 Laplacian 0.8560728E+00 (-1/4)Del**2(Rho)) -0.2140182E+00 Diamond 0.2836289E+01 Metallicity 0.6271303E+01 Ellipticity 0.1006875E-01 Gb(Abramov) 0.3663743E+00 Vb(Abramov) -0.5187304E+00 Hb(Abramov) -0.1523561E+00 Ex_ueg -0.9586409E-01 Ec_ueg -0.1281272E-01 Delta_ex -0.1016817E+00 Delta_ec 0.2129662E-01 Delta_et -0.3005078E+00 Pxc 0.7481949E+01 Qxc -0.4774549E+01 3,-1 85 3 +1 1.141313 -0.370980 2.342267 Rho 0.2209915E-01 |GRAD(Rho)| 0.2918639E-16 GRAD(Rho)x -0.1293054E-16 GRAD(Rho)y -0.5548644E-17 GRAD(Rho)z -0.2557067E-16 Laplacian 0.8633037E-01 (-1/4)Del**2(Rho)) -0.2158259E-01 Diamond 0.1040735E-01 Metallicity 0.1389128E+01 Ellipticity -0.5251911E+01 Gb(Abramov) 0.1938523E-01 Vb(Abramov) -0.1718786E-01 Hb(Abramov) 0.2197367E-02 Ex_ueg -0.4580215E-02 Ec_ueg -0.9438001E-03 Delta_ex -0.5308463E-02 Delta_ec 0.1665777E-02 Delta_et -0.1420019E-01 Pxc 0.4852950E+01 Qxc -0.3186779E+01 3,+1 86 3 -1 2.471835 -0.341613 -2.699479 Rho 0.1723959E+00 |GRAD(Rho)| 0.7582709E-13 GRAD(Rho)x 0.3665620E-13 GRAD(Rho)y 0.2542100E-13 GRAD(Rho)z 0.6131757E-13 Laplacian 0.6707332E+00 (-1/4)Del**2(Rho)) -0.1676833E+00 Diamond 0.1589116E+01 Metallicity 0.5486244E+01 Ellipticity 0.5623370E-01 Gb(Abramov) 0.2651141E+00 Vb(Abramov) -0.3625449E+00 Hb(Abramov) -0.9743082E-01 Ex_ueg -0.7086326E-01 Ec_ueg -0.9892274E-02 Delta_ex -0.7441662E-01 Delta_ec 0.1617086E-01 Delta_et -0.2183719E+00 Pxc 0.7163495E+01 Qxc -0.4601896E+01 3,-1 87 3 +3 1.179856 1.093344 1.671683 Rho 0.3970229E-02 |GRAD(Rho)| 0.3478874E-12 GRAD(Rho)x 0.2382304E-12 GRAD(Rho)y -0.2474593E-12 GRAD(Rho)z -0.5509767E-13 Laplacian 0.1656078E-01 (-1/4)Del**2(Rho)) -0.4140195E-02 Diamond 0.1225788E-03 Metallicity 0.4142143E+00 Ellipticity -0.2157803E+00 Gb(Abramov) 0.3045951E-02 Vb(Abramov) -0.1951707E-02 Hb(Abramov) 0.1094244E-02 Ex_ueg -0.4643076E-03 Ec_ueg -0.1028703E-03 Delta_ex -0.5851846E-03 Delta_ec 0.1590711E-03 Delta_et -0.9552624E-03 Pxc 0.4513523E+01 Qxc -0.3678762E+01 3,+3 88 3 +1 1.501842 1.365509 -2.172745 Rho 0.4760248E-02 |GRAD(Rho)| 0.8364277E-15 GRAD(Rho)x 0.4938785E-15 GRAD(Rho)y -0.6749514E-15 GRAD(Rho)z 0.1165832E-16 Laplacian 0.1938092E-01 (-1/4)Del**2(Rho)) -0.4845230E-02 Diamond 0.4450985E-03 Metallicity 0.4789476E+00 Ellipticity -0.3709449E+01 Gb(Abramov) 0.3616922E-02 Vb(Abramov) -0.2388614E-02 Hb(Abramov) 0.1228308E-02 Ex_ueg -0.5914133E-03 Ec_ueg -0.1366099E-03 Delta_ex -0.9763732E-03 Delta_ec 0.6492678E-03 Delta_et -0.3458553E-02 Pxc 0.4329213E+01 Qxc -0.1503807E+01 3,+1 89 3 +3 1.194794 1.113798 -1.651846 Rho 0.3969604E-02 |GRAD(Rho)| 0.1403620E-17 GRAD(Rho)x -0.7665953E-18 GRAD(Rho)y 0.1015114E-17 GRAD(Rho)z -0.5933177E-18 Laplacian 0.1643934E-01 (-1/4)Del**2(Rho)) -0.4109836E-02 Diamond 0.1229315E-03 Metallicity 0.4171644E+00 Ellipticity -0.2973381E+00 Gb(Abramov) 0.3025637E-02 Vb(Abramov) -0.1941438E-02 Hb(Abramov) 0.1084199E-02 Ex_ueg -0.4642101E-03 Ec_ueg -0.1028437E-03 Delta_ex -0.5824843E-03 Delta_ec 0.1607856E-03 Delta_et -0.9616299E-03 Pxc 0.4513742E+01 Qxc -0.3622740E+01 3,+3 90 3 +1 1.481589 1.459662 2.094319 Rho 0.4722425E-02 |GRAD(Rho)| 0.4840987E-13 GRAD(Rho)x 0.1439883E-13 GRAD(Rho)y -0.3554536E-13 GRAD(Rho)z 0.2954178E-13 Laplacian 0.1926884E-01 (-1/4)Del**2(Rho)) -0.4817210E-02 Diamond 0.4555521E-03 Metallicity 0.4753711E+00 Ellipticity -0.5816947E+01 Gb(Abramov) 0.3593134E-02 Vb(Abramov) -0.2369058E-02 Hb(Abramov) 0.1224076E-02 Ex_ueg -0.5851563E-03 Ec_ueg -0.1349873E-03 Delta_ex -0.9870597E-03 Delta_ec 0.6772585E-03 Delta_et -0.3586826E-02 Pxc 0.4334900E+01 Qxc -0.1457434E+01 3,+1 91 3 -1 1.355822 2.028698 0.006830 Rho 0.3716244E-01 |GRAD(Rho)| 0.5237833E-16 GRAD(Rho)x 0.4870672E-16 GRAD(Rho)y 0.1920732E-16 GRAD(Rho)z 0.1491217E-17 Laplacian 0.1494091E+00 (-1/4)Del**2(Rho)) -0.3735228E-01 Diamond 0.5181467E-01 Metallicity 0.1908724E+01 Ellipticity 0.1512303E-01 Gb(Abramov) 0.3678405E-01 Vb(Abramov) -0.3621582E-01 Hb(Abramov) 0.5682284E-03 Ex_ueg -0.9159196E-02 Ec_ueg -0.1718637E-02 Delta_ex -0.1150015E-01 Delta_ec 0.4600116E-02 Delta_et -0.4482454E-01 Pxc 0.5329336E+01 Qxc -0.2499969E+01 3,-1 92 3 +1 1.474959 0.697443 -0.901305 Rho 0.6395352E-02 |GRAD(Rho)| 0.5832350E-11 GRAD(Rho)x -0.4888828E-11 GRAD(Rho)y -0.1944532E-11 GRAD(Rho)z 0.2516835E-11 Laplacian 0.2546755E-01 (-1/4)Del**2(Rho)) -0.6366886E-02 Diamond 0.4985138E-03 Metallicity 0.5962112E+00 Ellipticity -0.1403968E+01 Gb(Abramov) 0.4877259E-02 Vb(Abramov) -0.3387632E-02 Hb(Abramov) 0.1489627E-02 Ex_ueg -0.8767403E-03 Ec_ueg -0.2074460E-03 Delta_ex -0.1109254E-02 Delta_ec 0.4096623E-03 Delta_et -0.2548055E-02 Pxc 0.4226354E+01 Qxc -0.2707727E+01 3,+1 93 3 +1 1.456073 0.668670 0.870785 Rho 0.6873619E-02 |GRAD(Rho)| 0.9828043E-11 GRAD(Rho)x -0.8291326E-11 GRAD(Rho)y -0.3176504E-11 GRAD(Rho)z -0.4213569E-11 Laplacian 0.2799847E-01 (-1/4)Del**2(Rho)) -0.6999617E-02 Diamond 0.5955783E-03 Metallicity 0.6115818E+00 Ellipticity -0.1393061E+01 Gb(Abramov) 0.5379885E-02 Vb(Abramov) -0.3760152E-02 Hb(Abramov) 0.1619733E-02 Ex_ueg -0.9652333E-03 Ec_ueg -0.2284124E-03 Delta_ex -0.1235508E-02 Delta_ec 0.4408555E-03 Delta_et -0.2803012E-02 Pxc 0.4225836E+01 Qxc -0.2802524E+01 3,+1 94 3 +1 3.011276 0.590889 -0.043551 Rho 0.1257931E-01 |GRAD(Rho)| 0.2187794E-16 GRAD(Rho)x -0.2313932E-17 GRAD(Rho)y 0.1810582E-16 GRAD(Rho)z -0.1206107E-16 Laplacian 0.6238200E-01 (-1/4)Del**2(Rho)) -0.1559550E-01 Diamond 0.2628654E-02 Metallicity 0.7515915E+00 Ellipticity -0.1270589E+01 Gb(Abramov) 0.1235057E-01 Vb(Abramov) -0.9105649E-02 Hb(Abramov) 0.3244926E-02 Ex_ueg -0.2160698E-02 Ec_ueg -0.4863776E-03 Delta_ex -0.3094474E-02 Delta_ec 0.7912939E-03 Delta_et -0.6015835E-02 Pxc 0.4442430E+01 Qxc -0.3910651E+01 3,+1 95 3 -1 1.890593 3.044882 -0.703571 Rho 0.1166658E+00 |GRAD(Rho)| 0.3397560E-12 GRAD(Rho)x 0.2349317E-12 GRAD(Rho)y -0.1259733E-12 GRAD(Rho)z 0.2106466E-12 Laplacian 0.4603086E+00 (-1/4)Del**2(Rho)) -0.1150772E+00 Diamond 0.6836898E+00 Metallicity 0.4170005E+01 Ellipticity 0.3919258E-01 Gb(Abramov) 0.1566968E+00 Vb(Abramov) -0.1983165E+00 Hb(Abramov) -0.4161967E-01 Ex_ueg -0.4210268E-01 Ec_ueg -0.6345224E-02 Delta_ex -0.4643651E-01 Delta_ec 0.1225657E-01 Delta_et -0.1565216E+00 Pxc 0.6635334E+01 Qxc -0.3788702E+01 3,-1 96 3 +1 0.622369 3.450229 0.000510 Rho 0.1260597E-01 |GRAD(Rho)| 0.9687978E-17 GRAD(Rho)x -0.1076542E-17 GRAD(Rho)y 0.2023445E-17 GRAD(Rho)z 0.9412951E-17 Laplacian 0.5963460E-01 (-1/4)Del**2(Rho)) -0.1490865E-01 Diamond 0.2133084E-02 Metallicity 0.7889970E+00 Ellipticity -0.1170939E+01 Gb(Abramov) 0.1189958E-01 Vb(Abramov) -0.8890509E-02 Hb(Abramov) 0.3009070E-02 Ex_ueg -0.2166806E-02 Ec_ueg -0.4876145E-03 Delta_ex -0.2855098E-02 Delta_ec 0.5694128E-03 Delta_et -0.4474296E-02 Pxc 0.4443687E+01 Qxc -0.5014108E+01 3,+1 97 3 -1 3.108406 -0.761584 0.871296 Rho 0.1367688E+00 |GRAD(Rho)| 0.8797833E-14 GRAD(Rho)x 0.5439103E-14 GRAD(Rho)y 0.4383226E-14 GRAD(Rho)z -0.5348396E-14 Laplacian 0.5762643E+00 (-1/4)Del**2(Rho)) -0.1440661E+00 Diamond 0.1047844E+01 Metallicity 0.4341470E+01 Ellipticity 0.1441584E-01 Gb(Abramov) 0.2002871E+00 Vb(Abramov) -0.2565082E+00 Hb(Abramov) -0.5622106E-01 Ex_ueg -0.5204368E-01 Ec_ueg -0.7601987E-02 Delta_ex -0.6053480E-01 Delta_ec 0.1500938E-01 Delta_et -0.1972206E+00 Pxc 0.6846062E+01 Qxc -0.4033132E+01 3,-1 98 3 -1 3.132693 -0.719941 -0.919799 Rho 0.1308756E+00 |GRAD(Rho)| 0.5352016E-15 GRAD(Rho)x -0.1157691E-15 GRAD(Rho)y 0.4754735E-16 GRAD(Rho)z -0.5203628E-15 Laplacian 0.5540613E+00 (-1/4)Del**2(Rho)) -0.1385153E+00 Diamond 0.9410140E+00 Metallicity 0.4195851E+01 Ellipticity 0.9337775E-02 Gb(Abramov) 0.1892085E+00 Vb(Abramov) -0.2399017E+00 Hb(Abramov) -0.5069317E-01 Ex_ueg -0.4907536E-01 Ec_ueg -0.7230765E-02 Delta_ex -0.5741213E-01 Delta_ec 0.1427464E-01 Delta_et -0.1856787E+00 Pxc 0.6787022E+01 Qxc -0.4021967E+01 3,-1 99 3 -1 2.944143 0.371441 1.566680 Rho 0.1105091E+00 |GRAD(Rho)| 0.1158875E-15 GRAD(Rho)x 0.4064403E-16 GRAD(Rho)y 0.9627715E-16 GRAD(Rho)z -0.5008675E-16 Laplacian 0.4603524E+00 (-1/4)Del**2(Rho)) -0.1150881E+00 Diamond 0.6520944E+00 Metallicity 0.3809368E+01 Ellipticity 0.1728957E-01 Gb(Abramov) 0.1497942E+00 Vb(Abramov) -0.1845003E+00 Hb(Abramov) -0.3470612E-01 Ex_ueg -0.3916660E-01 Ec_ueg -0.5965939E-02 Delta_ex -0.4601959E-01 Delta_ec 0.1272018E-01 Delta_et -0.1613159E+00 Pxc 0.6565034E+01 Qxc -0.3617841E+01 3,-1 100 3 +1 1.458708 -0.445253 -2.114631 Rho 0.2100797E-01 |GRAD(Rho)| 0.4061310E-15 GRAD(Rho)x -0.2817617E-15 GRAD(Rho)y 0.3449927E-16 GRAD(Rho)z 0.2904522E-15 Laplacian 0.7996378E-01 (-1/4)Del**2(Rho)) -0.1999094E-01 Diamond 0.8407433E-02 Metallicity 0.1378352E+01 Ellipticity -0.3552924E+01 Gb(Abramov) 0.1791972E-01 Vb(Abramov) -0.1584850E-01 Hb(Abramov) 0.2071222E-02 Ex_ueg -0.4281185E-02 Ec_ueg -0.8899023E-03 Delta_ex -0.4772746E-02 Delta_ec 0.1399698E-02 Delta_et -0.1181942E-01 Pxc 0.4810848E+01 Qxc -0.3409841E+01 3,+1 101 3 -1 2.984359 0.431238 -1.614968 Rho 0.1174706E+00 |GRAD(Rho)| 0.7950533E-16 GRAD(Rho)x -0.2045246E-16 GRAD(Rho)y 0.2091155E-16 GRAD(Rho)z -0.7392904E-16 Laplacian 0.4837021E+00 (-1/4)Del**2(Rho)) -0.1209255E+00 Diamond 0.7281400E+00 Metallicity 0.4014059E+01 Ellipticity 0.1449114E-01 Gb(Abramov) 0.1615174E+00 Vb(Abramov) -0.2021092E+00 Hb(Abramov) -0.4059185E-01 Ex_ueg -0.4249037E-01 Ec_ueg -0.6395005E-02 Delta_ex -0.4892808E-01 Delta_ec 0.1295097E-01 Delta_et -0.1657373E+00 Pxc 0.6644306E+01 Qxc -0.3777949E+01 3,-1 102 3 -1 2.445464 -0.352823 2.678056 Rho 0.1789028E+00 |GRAD(Rho)| 0.3898193E-13 GRAD(Rho)x 0.1563799E-14 GRAD(Rho)y -0.3661249E-13 GRAD(Rho)z -0.1329175E-13 Laplacian 0.6992532E+00 (-1/4)Del**2(Rho)) -0.1748133E+00 Diamond 0.1746853E+01 Metallicity 0.5597669E+01 Ellipticity 0.3983869E-01 Gb(Abramov) 0.2796334E+00 Vb(Abramov) -0.3844534E+00 Hb(Abramov) -0.1048201E+00 Ex_ueg -0.7445169E-01 Ec_ueg -0.1031872E-01 Delta_ex -0.7842396E-01 Delta_ec 0.1690287E-01 Delta_et -0.2297741E+00 Pxc 0.7215204E+01 Qxc -0.4639684E+01 3,-1 103 3 -1 3.860279 -0.699802 2.222774 Rho 0.2368676E+00 |GRAD(Rho)| 0.5938408E-08 GRAD(Rho)x 0.5557477E-08 GRAD(Rho)y -0.3052920E-09 GRAD(Rho)z 0.2070249E-08 Laplacian 0.8517384E+00 (-1/4)Del**2(Rho)) -0.2129346E+00 Diamond 0.2976263E+01 Metallicity 0.7336403E+01 Ellipticity 0.4771929E-02 Gb(Abramov) 0.4023187E+00 Vb(Abramov) -0.5917029E+00 Hb(Abramov) -0.1893841E+00 Ex_ueg -0.1082412E+00 Ec_ueg -0.1422285E-01 Delta_ex -0.1026156E+00 Delta_ec 0.1899679E-01 Delta_et -0.2634839E+00 Pxc 0.7610375E+01 Qxc -0.5401730E+01 3,-1 104 3 -1 -1.322912 -3.062068 0.182956 Rho 0.5010392E-01 |GRAD(Rho)| 0.6773587E-14 GRAD(Rho)x 0.4902266E-15 GRAD(Rho)y -0.5693885E-14 GRAD(Rho)z -0.3636046E-14 Laplacian 0.1298065E+00 (-1/4)Del**2(Rho)) -0.3245163E-01 Diamond 0.1045042E+00 Metallicity 0.3614955E+01 Ellipticity 0.8254047E-02 Gb(Abramov) 0.4118628E-01 Vb(Abramov) -0.4992094E-01 Hb(Abramov) -0.8734654E-02 Ex_ueg -0.1364208E-01 Ec_ueg -0.2420619E-02 Delta_ex -0.1234572E-01 Delta_ec 0.6823303E-02 Delta_et -0.7283566E-01 Pxc 0.5635782E+01 Qxc -0.1809347E+01 3,-1 105 3 -1 -1.335096 -3.067752 -0.585981 Rho 0.3038931E+00 |GRAD(Rho)| 0.2322430E-14 GRAD(Rho)x 0.5042796E-15 GRAD(Rho)y -0.1784529E-14 GRAD(Rho)z -0.1398156E-14 Laplacian -0.1478881E+01 (-1/4)Del**2(Rho)) 0.3697204E+00 Diamond 0.5031850E+01 Metallicity -0.6400508E+01 Ellipticity 0.5966684E-02 Gb(Abramov) 0.1479194E+00 Vb(Abramov) -0.6655592E+00 Hb(Abramov) -0.5176398E+00 Ex_ueg -0.1508966E+00 Ec_ueg -0.1896777E-01 Delta_ex 0.1436321E+00 Delta_ec 0.5281360E-01 Delta_et -0.1223062E+01 Pxc 0.7955419E+01 Qxc 0.2719604E+01 3,-1 106 3 +1 -1.202215 -1.740522 -0.069786 Rho 0.3861576E-02 |GRAD(Rho)| 0.3431329E-15 GRAD(Rho)x 0.1340561E-15 GRAD(Rho)y 0.3152419E-15 GRAD(Rho)z 0.1979008E-16 Laplacian 0.1498252E-01 (-1/4)Del**2(Rho)) -0.3745630E-02 Diamond 0.1805206E-03 Metallicity 0.4371555E+00 Ellipticity -0.1223754E+01 Gb(Abramov) 0.2769990E-02 Vb(Abramov) -0.1794351E-02 Hb(Abramov) 0.9756396E-03 Ex_ueg -0.4474431E-03 Ec_ueg -0.9825561E-04 Delta_ex -0.6223475E-03 Delta_ec 0.3163766E-03 Delta_et -0.1653708E-02 Pxc 0.4553868E+01 Qxc -0.1967110E+01 3,+1 107 3 +3 1.579274 -1.621978 -0.044196 Rho 0.3754147E-02 |GRAD(Rho)| 0.5120837E-16 GRAD(Rho)x 0.8765147E-17 GRAD(Rho)y 0.2463961E-16 GRAD(Rho)z -0.4402680E-16 Laplacian 0.1544014E-01 (-1/4)Del**2(Rho)) -0.3860036E-02 Diamond 0.1038656E-03 Metallicity 0.4047131E+00 Ellipticity -0.2874243E+00 Gb(Abramov) 0.2833725E-02 Vb(Abramov) -0.1807414E-02 Hb(Abramov) 0.1026311E-02 Ex_ueg -0.4309234E-03 Ec_ueg -0.9369906E-04 Delta_ex -0.5351751E-03 Delta_ec 0.1432542E-03 Delta_et -0.8553302E-03 Pxc 0.4599015E+01 Qxc -0.3735842E+01 3,+3 108 3 +1 0.102900 0.938058 1.573497 Rho 0.8719453E-02 |GRAD(Rho)| 0.3043774E-16 GRAD(Rho)x -0.2724930E-16 GRAD(Rho)y 0.4978182E-17 GRAD(Rho)z -0.1261545E-16 Laplacian 0.3631877E-01 (-1/4)Del**2(Rho)) -0.9079692E-02 Diamond 0.1014285E-02 Metallicity 0.7008592E+00 Ellipticity -0.1404069E+01 Gb(Abramov) 0.7113725E-02 Vb(Abramov) -0.5147759E-02 Hb(Abramov) 0.1965966E-02 Ex_ueg -0.1325472E-02 Ec_ueg -0.3103279E-03 Delta_ex -0.1675564E-02 Delta_ec 0.5299418E-03 Delta_et -0.3619722E-02 Pxc 0.4271199E+01 Qxc -0.3161788E+01 3,+1 109 3 +1 2.080236 -2.079768 -0.084047 Rho 0.4605045E-02 |GRAD(Rho)| 0.1271062E-12 GRAD(Rho)x 0.8293161E-13 GRAD(Rho)y 0.5202634E-13 GRAD(Rho)z -0.8106542E-13 Laplacian 0.1911041E-01 (-1/4)Del**2(Rho)) -0.4777603E-02 Diamond 0.4262700E-03 Metallicity 0.4596206E+00 Ellipticity -0.3373052E+01 Gb(Abramov) 0.3551049E-02 Vb(Abramov) -0.2324496E-02 Hb(Abramov) 0.1226554E-02 Ex_ueg -0.5658442E-03 Ec_ueg -0.1299560E-03 Delta_ex -0.9635372E-03 Delta_ec 0.6522243E-03 Delta_et -0.3435029E-02 Pxc 0.4354120E+01 Qxc -0.1477310E+01 3,+1 110 3 +1 1.006460 2.461509 0.550966 Rho 0.2465098E-01 |GRAD(Rho)| 0.1855014E-15 GRAD(Rho)x 0.1765992E-15 GRAD(Rho)y -0.5083142E-16 GRAD(Rho)z 0.2529114E-16 Laplacian 0.9675289E-01 (-1/4)Del**2(Rho)) -0.2418822E-01 Diamond 0.1202028E-01 Metallicity 0.1487098E+01 Ellipticity -0.3040162E+01 Gb(Abramov) 0.2212053E-01 Vb(Abramov) -0.2005283E-01 Hb(Abramov) 0.2067697E-02 Ex_ueg -0.5298636E-02 Ec_ueg -0.1071158E-02 Delta_ex -0.5951651E-02 Delta_ec 0.1564496E-02 Delta_et -0.1378133E-01 Pxc 0.4946643E+01 Qxc -0.3804198E+01 3,+1 111 3 -1 1.679167 -0.648190 1.555178 Rho 0.2968423E-01 |GRAD(Rho)| 0.3529347E-16 GRAD(Rho)x -0.6564399E-17 GRAD(Rho)y -0.3308330E-16 GRAD(Rho)z -0.1039391E-16 Laplacian 0.1098439E+00 (-1/4)Del**2(Rho)) -0.2746097E-01 Diamond 0.2588351E-01 Metallicity 0.1785310E+01 Ellipticity 0.6177208E-01 Gb(Abramov) 0.2647837E-01 Vb(Abramov) -0.2549577E-01 Hb(Abramov) 0.9826003E-03 Ex_ueg -0.6788171E-02 Ec_ueg -0.1327331E-02 Delta_ex -0.7817776E-02 Delta_ec 0.3048791E-02 Delta_et -0.2793277E-01 Pxc 0.5114151E+01 Qxc -0.2564222E+01 3,-1 112 3 +3 1.235061 -1.301760 2.527296 Rho 0.1147806E-01 |GRAD(Rho)| 0.5017560E-15 GRAD(Rho)x -0.3732358E-15 GRAD(Rho)y 0.3127038E-15 GRAD(Rho)z -0.1211216E-15 Laplacian 0.5126664E-01 (-1/4)Del**2(Rho)) -0.1281666E-01 Diamond 0.9975637E-03 Metallicity 0.7850414E+00 Ellipticity -0.4514027E+00 Gb(Abramov) 0.1022137E-01 Vb(Abramov) -0.7626089E-02 Hb(Abramov) 0.2595285E-02 Ex_ueg -0.1912243E-02 Ec_ueg -0.4355284E-03 Delta_ex -0.2203885E-02 Delta_ec 0.1534550E-03 Delta_et -0.1540711E-02 Pxc 0.4390628E+01 Qxc -0.1436177E+02 3,+3 113 3 +3 1.266038 -1.304591 -2.495778 Rho 0.1098094E-01 |GRAD(Rho)| 0.2260401E-16 GRAD(Rho)x -0.3519951E-18 GRAD(Rho)y 0.9705542E-17 GRAD(Rho)z -0.2041127E-16 Laplacian 0.4888407E-01 (-1/4)Del**2(Rho)) -0.1222102E-01 Diamond 0.8602422E-03 Metallicity 0.7647359E+00 Ellipticity -0.4068841E+00 Gb(Abramov) 0.9704987E-02 Vb(Abramov) -0.7188956E-02 Hb(Abramov) 0.2516031E-02 Ex_ueg -0.1802620E-02 Ec_ueg -0.4127322E-03 Delta_ex -0.2063097E-02 Delta_ec 0.1268027E-03 Delta_et -0.1337987E-02 Pxc 0.4367530E+01 Qxc -0.1627014E+02 3,+3 114 3 -1 1.701309 -0.593059 -1.602278 Rho 0.2402327E-01 |GRAD(Rho)| 0.3599816E-16 GRAD(Rho)x 0.3199445E-16 GRAD(Rho)y 0.3178997E-17 GRAD(Rho)z -0.1619002E-16 Laplacian 0.9329050E-01 (-1/4)Del**2(Rho)) -0.2332262E-01 Diamond 0.1694470E-01 Metallicity 0.1477393E+01 Ellipticity 0.1876671E+00 Gb(Abramov) 0.2129119E-01 Vb(Abramov) -0.1925977E-01 Hb(Abramov) 0.2031430E-02 Ex_ueg -0.5119503E-02 Ec_ueg -0.1039664E-02 Delta_ex -0.6358667E-02 Delta_ec 0.2686198E-02 Delta_et -0.2319462E-01 Pxc 0.4924190E+01 Qxc -0.2367163E+01 3,-1 115 3 +1 -0.316049 2.727335 0.019886 Rho 0.2558592E-01 |GRAD(Rho)| 0.2781066E-16 GRAD(Rho)x 0.5003564E-17 GRAD(Rho)y -0.2423552E-16 GRAD(Rho)z -0.1269003E-16 Laplacian 0.9682132E-01 (-1/4)Del**2(Rho)) -0.2420533E-01 Diamond 0.1284161E-01 Metallicity 0.1581165E+01 Ellipticity -0.3965350E+01 Gb(Abramov) 0.2251566E-01 Vb(Abramov) -0.2082598E-01 Hb(Abramov) 0.1689672E-02 Ex_ueg -0.5568264E-02 Ec_ueg -0.1118259E-02 Delta_ex -0.6034742E-02 Delta_ec 0.1599378E-02 Delta_et -0.1420748E-01 Pxc 0.4979402E+01 Qxc -0.3773181E+01 3,+1 116 3 +1 1.544533 -1.349704 -1.664050 Rho 0.1809143E-01 |GRAD(Rho)| 0.6872890E-13 GRAD(Rho)x -0.2876986E-13 GRAD(Rho)y -0.6189116E-13 GRAD(Rho)z -0.8089536E-14 Laplacian 0.6731626E-01 (-1/4)Del**2(Rho)) -0.1682906E-01 Diamond 0.5981854E-02 Metallicity 0.1276286E+01 Ellipticity -0.3776962E+01 Gb(Abramov) 0.1479916E-01 Vb(Abramov) -0.1276925E-01 Hb(Abramov) 0.2029906E-02 Ex_ueg -0.3507644E-02 Ec_ueg -0.7476007E-03 Delta_ex -0.3900295E-02 Delta_ec 0.1243036E-02 Delta_et -0.1007691E-01 Pxc 0.4691867E+01 Qxc -0.3137716E+01 3,+1 117 3 +1 -1.788617 2.451515 0.009460 Rho 0.7536790E-02 |GRAD(Rho)| 0.1521006E-16 GRAD(Rho)x 0.5325184E-17 GRAD(Rho)y 0.5943556E-17 GRAD(Rho)z -0.1294846E-16 Laplacian 0.3268633E-01 (-1/4)Del**2(Rho)) -0.8171583E-02 Diamond 0.9079371E-03 Metallicity 0.6107887E+00 Ellipticity -0.1486532E+01 Gb(Abramov) 0.6279574E-02 Vb(Abramov) -0.4387565E-02 Hb(Abramov) 0.1892009E-02 Ex_ueg -0.1091357E-02 Ec_ueg -0.2576632E-03 Delta_ex -0.1539607E-02 Delta_ec 0.6298052E-03 Delta_et -0.4017345E-02 Pxc 0.4235595E+01 Qxc -0.2444576E+01 3,+1 118 3 +1 0.080222 0.969621 -1.533908 Rho 0.9414195E-02 |GRAD(Rho)| 0.9638653E-17 GRAD(Rho)x 0.6347693E-18 GRAD(Rho)y 0.5115571E-17 GRAD(Rho)z -0.8144424E-17 Laplacian 0.3955274E-01 (-1/4)Del**2(Rho)) -0.9888184E-02 Diamond 0.1205917E-02 Metallicity 0.7312658E+00 Ellipticity -0.1406474E+01 Gb(Abramov) 0.7797271E-02 Vb(Abramov) -0.5706358E-02 Hb(Abramov) 0.2090913E-02 Ex_ueg -0.1468124E-02 Ec_ueg -0.3415551E-03 Delta_ex -0.1852331E-02 Delta_ec 0.5626073E-03 Delta_et -0.3930845E-02 Pxc 0.4298351E+01 Qxc -0.3292405E+01 3,+1 119 3 -1 -1.941740 0.963128 2.342279 Rho 0.9851246E-02 |GRAD(Rho)| 0.1402231E-16 GRAD(Rho)x 0.4503743E-17 GRAD(Rho)y -0.5286020E-17 GRAD(Rho)z -0.1218194E-16 Laplacian 0.3959401E-01 (-1/4)Del**2(Rho)) -0.9898503E-02 Diamond 0.2769198E-02 Metallicity 0.7878961E+00 Ellipticity 0.2308550E+00 Gb(Abramov) 0.7898834E-02 Vb(Abramov) -0.5899165E-02 Hb(Abramov) 0.1999669E-02 Ex_ueg -0.1559696E-02 Ec_ueg -0.3613064E-03 Delta_ex -0.2434095E-02 Delta_ec 0.1559859E-02 Delta_et -0.1026137E-01 Pxc 0.4316823E+01 Qxc -0.1560458E+01 3,-1 120 3 -1 -1.366701 2.608127 -1.594846 Rho 0.1496785E+00 |GRAD(Rho)| 0.4873598E-15 GRAD(Rho)x 0.2892380E-15 GRAD(Rho)y 0.3345170E-15 GRAD(Rho)z -0.2048397E-15 Laplacian 0.5725504E+00 (-1/4)Del**2(Rho)) -0.1431376E+00 Diamond 0.1173782E+01 Metallicity 0.5078455E+01 Ellipticity 0.9644921E-01 Gb(Abramov) 0.2165780E+00 Vb(Abramov) -0.2900185E+00 Hb(Abramov) -0.7344044E-01 Ex_ueg -0.5869450E-01 Ec_ueg -0.8422934E-02 Delta_ex -0.6161888E-01 Delta_ec 0.1482888E-01 Delta_et -0.1980192E+00 Pxc 0.6968416E+01 Qxc -0.4155330E+01 3,-1 121 3 +3 0.569994 3.155788 0.002912 Rho 0.1227301E-01 |GRAD(Rho)| 0.1349654E-16 GRAD(Rho)x -0.4450919E-17 GRAD(Rho)y 0.1567666E-17 GRAD(Rho)z -0.1264470E-16 Laplacian 0.5615690E-01 (-1/4)Del**2(Rho)) -0.1403922E-01 Diamond 0.1248993E-02 Metallicity 0.8013003E+00 Ellipticity -0.6459873E+00 Gb(Abramov) 0.1123442E-01 Vb(Abramov) -0.8429620E-02 Hb(Abramov) 0.2804802E-02 Ex_ueg -0.2090836E-02 Ec_ueg -0.4721868E-03 Delta_ex -0.2476246E-02 Delta_ec 0.1922994E-03 Delta_et -0.1857241E-02 Pxc 0.4427984E+01 Qxc -0.1287703E+02 3,+3 122 3 -1 -1.354218 2.613866 1.617136 Rho 0.1503947E+00 |GRAD(Rho)| 0.1019602E-15 GRAD(Rho)x -0.9343112E-16 GRAD(Rho)y 0.3997996E-16 GRAD(Rho)z 0.8253489E-17 Laplacian 0.5746900E+00 (-1/4)Del**2(Rho)) -0.1436725E+00 Diamond 0.1185670E+01 Metallicity 0.5099961E+01 Ellipticity 0.9797289E-01 Gb(Abramov) 0.2179024E+00 Vb(Abramov) -0.2921322E+00 Hb(Abramov) -0.7422986E-01 Ex_ueg -0.5906927E-01 Ec_ueg -0.8468782E-02 Delta_ex -0.6192869E-01 Delta_ec 0.1487970E-01 Delta_et -0.1988637E+00 Pxc 0.6974942E+01 Qxc -0.4161958E+01 3,-1 123 3 -1 -0.120530 2.290418 -0.827952 Rho 0.4423868E-01 |GRAD(Rho)| 0.5216145E-16 GRAD(Rho)x 0.1509836E-16 GRAD(Rho)y -0.1029907E-16 GRAD(Rho)z 0.4885474E-16 Laplacian 0.1692256E+00 (-1/4)Del**2(Rho)) -0.4230641E-01 Diamond 0.7091081E-01 Metallicity 0.2253291E+01 Ellipticity 0.1731786E-01 Gb(Abramov) 0.4409238E-01 Vb(Abramov) -0.4587835E-01 Hb(Abramov) -0.1785970E-02 Ex_ueg -0.1155548E-01 Ec_ueg -0.2098975E-02 Delta_ex -0.1342106E-01 Delta_ec 0.4890779E-02 Delta_et -0.4990572E-01 Pxc 0.5505295E+01 Qxc -0.2744155E+01 3,-1 124 3 -1 -0.114098 2.291230 0.851236 Rho 0.4443972E-01 |GRAD(Rho)| 0.1006385E-15 GRAD(Rho)x -0.2786421E-17 GRAD(Rho)y -0.2101743E-16 GRAD(Rho)z 0.9837991E-16 Laplacian 0.1702180E+00 (-1/4)Del**2(Rho)) -0.4255450E-01 Diamond 0.7191626E-01 Metallicity 0.2257147E+01 Ellipticity 0.1778371E-01 Gb(Abramov) 0.4437829E-01 Vb(Abramov) -0.4620209E-01 Hb(Abramov) -0.1823795E-02 Ex_ueg -0.1162555E-01 Ec_ueg -0.2109909E-02 Delta_ex -0.1352263E-01 Delta_ec 0.4932657E-02 Delta_et -0.5039587E-01 Pxc 0.5509976E+01 Qxc -0.2741449E+01 3,-1 125 3 -1 -0.207869 2.357706 -2.342777 Rho 0.1396452E+00 |GRAD(Rho)| 0.1070958E-11 GRAD(Rho)x 0.2861568E-12 GRAD(Rho)y -0.7893361E-12 GRAD(Rho)z -0.6648407E-12 Laplacian 0.5807824E+00 (-1/4)Del**2(Rho)) -0.1451956E+00 Diamond 0.1081316E+01 Metallicity 0.4459742E+01 Ellipticity 0.1338895E-01 Gb(Abramov) 0.2047195E+00 Vb(Abramov) -0.2642435E+00 Hb(Abramov) -0.5952394E-01 Ex_ueg -0.5350812E-01 Ec_ueg -0.7783988E-02 Delta_ex -0.6130244E-01 Delta_ec 0.1502197E-01 Delta_et -0.1979580E+00 Pxc 0.6874126E+01 Qxc -0.4080852E+01 3,-1 126 3 +1 1.007011 2.456111 -0.540414 Rho 0.2459660E-01 |GRAD(Rho)| 0.8054953E-16 GRAD(Rho)x 0.7003289E-16 GRAD(Rho)y 0.3924175E-16 GRAD(Rho)z 0.6611065E-17 Laplacian 0.9625041E-01 (-1/4)Del**2(Rho)) -0.2406260E-01 Diamond 0.1184130E-01 Metallicity 0.1489369E+01 Ellipticity -0.2971981E+01 Gb(Abramov) 0.2201475E-01 Vb(Abramov) -0.1996690E-01 Hb(Abramov) 0.2047851E-02 Ex_ueg -0.5283055E-02 Ec_ueg -0.1068425E-02 Delta_ex -0.5908325E-02 Delta_ec 0.1540476E-02 Delta_et -0.1356658E-01 Pxc 0.4944713E+01 Qxc -0.3835390E+01 3,+1 127 3 -1 0.384253 -2.549915 -2.688627 Rho 0.1417550E+00 |GRAD(Rho)| 0.9329240E-15 GRAD(Rho)x -0.2916334E-15 GRAD(Rho)y 0.4419208E-15 GRAD(Rho)z -0.7681166E-15 Laplacian 0.5673028E+00 (-1/4)Del**2(Rho)) -0.1418257E+00 Diamond 0.1064502E+01 Metallicity 0.4681254E+01 Ellipticity 0.6444184E-01 Gb(Abramov) 0.2052042E+00 Vb(Abramov) -0.2685826E+00 Hb(Abramov) -0.6337846E-01 Ex_ueg -0.5458872E-01 Ec_ueg -0.7917823E-02 Delta_ex -0.5998156E-01 Delta_ec 0.1441043E-01 Delta_et -0.1898837E+00 Pxc 0.6894411E+01 Qxc -0.4162370E+01 3,-1 128 3 -1 2.712055 -1.530252 -1.991475 Rho 0.1373515E+00 |GRAD(Rho)| 0.1475133E-11 GRAD(Rho)x 0.4666670E-12 GRAD(Rho)y 0.1396420E-11 GRAD(Rho)z 0.9083710E-13 Laplacian 0.5390278E+00 (-1/4)Del**2(Rho)) -0.1347569E+00 Diamond 0.9788674E+00 Metallicity 0.4674385E+01 Ellipticity 0.3625310E-01 Gb(Abramov) 0.1948223E+00 Vb(Abramov) -0.2548876E+00 Hb(Abramov) -0.6006533E-01 Ex_ueg -0.5233952E-01 Ec_ueg -0.7638814E-02 Delta_ex -0.5661124E-01 Delta_ec 0.1389934E-01 Delta_et -0.1825014E+00 Pxc 0.6851786E+01 Qxc -0.4072944E+01 3,-1 129 3 -1 2.737980 1.907245 -0.709371 Rho 0.1480851E+00 |GRAD(Rho)| 0.3145364E-15 GRAD(Rho)x -0.3338665E-16 GRAD(Rho)y -0.2568475E-15 GRAD(Rho)z -0.1784597E-15 Laplacian 0.6151447E+00 (-1/4)Del**2(Rho)) -0.1537862E+00 Diamond 0.1209521E+01 Metallicity 0.4643243E+01 Ellipticity 0.2854364E-01 Gb(Abramov) 0.2215352E+00 Vb(Abramov) -0.2892842E+00 Hb(Abramov) -0.6774903E-01 Ex_ueg -0.5786289E-01 Ec_ueg -0.8321045E-02 Delta_ex -0.6567041E-01 Delta_ec 0.1533214E-01 Delta_et -0.2029972E+00 Pxc 0.6953801E+01 Qxc -0.4283187E+01 3,-1 130 3 -1 -1.955950 0.922099 -2.302633 Rho 0.9309032E-02 |GRAD(Rho)| 0.4514548E-15 GRAD(Rho)x 0.2698182E-15 GRAD(Rho)y 0.2025587E-15 GRAD(Rho)z 0.2999659E-15 Laplacian 0.3733393E-01 (-1/4)Del**2(Rho)) -0.9333482E-02 Diamond 0.2408176E-02 Metallicity 0.7603560E+00 Ellipticity 0.2222987E+00 Gb(Abramov) 0.7405116E-02 Vb(Abramov) -0.5476750E-02 Hb(Abramov) 0.1928366E-02 Ex_ueg -0.1446298E-02 Ec_ueg -0.3368147E-03 Delta_ex -0.2265283E-02 Delta_ec 0.1462776E-02 Delta_et -0.9461181E-02 Pxc 0.4294046E+01 Qxc -0.1548620E+01 3,-1 131 3 -1 -1.965501 0.896985 -0.703893 Rho 0.4448511E-01 |GRAD(Rho)| 0.7310546E-14 GRAD(Rho)x 0.1811567E-14 GRAD(Rho)y -0.5376174E-14 GRAD(Rho)z 0.4610755E-14 Laplacian 0.1183236E+00 (-1/4)Del**2(Rho)) -0.2958091E-01 Diamond 0.7768672E-01 Metallicity 0.3252616E+01 Ellipticity 0.5963174E-02 Gb(Abramov) 0.3575650E-01 Vb(Abramov) -0.4193208E-01 Hb(Abramov) -0.6175586E-02 Ex_ueg -0.1164138E-01 Ec_ueg -0.2112379E-02 Delta_ex -0.1079386E-01 Delta_ec 0.5913146E-02 Delta_et -0.6091665E-01 Pxc 0.5511031E+01 Qxc -0.1825400E+01 3,-1 132 3 -1 -0.673252 3.559541 -0.786997 Rho 0.1422611E+00 |GRAD(Rho)| 0.3033049E-12 GRAD(Rho)x -0.5614183E-13 GRAD(Rho)y 0.1304768E-12 GRAD(Rho)z 0.2679884E-12 Laplacian 0.5581454E+00 (-1/4)Del**2(Rho)) -0.1395364E+00 Diamond 0.1065165E+01 Metallicity 0.4786404E+01 Ellipticity 0.3666210E-01 Gb(Abramov) 0.2043371E+00 Vb(Abramov) -0.2691379E+00 Hb(Abramov) -0.6480077E-01 Ex_ueg -0.5484873E-01 Ec_ueg -0.7949967E-02 Delta_ex -0.5920757E-01 Delta_ec 0.1442028E-01 Delta_et -0.1906628E+00 Pxc 0.6899239E+01 Qxc -0.4105855E+01 3,-1 133 3 -1 -0.050758 0.847682 -3.193512 Rho 0.1404878E+00 |GRAD(Rho)| 0.2019266E-14 GRAD(Rho)x -0.1342479E-15 GRAD(Rho)y -0.1948338E-14 GRAD(Rho)z -0.5132139E-15 Laplacian 0.5809272E+00 (-1/4)Del**2(Rho)) -0.1452318E+00 Diamond 0.1096728E+01 Metallicity 0.4503560E+01 Ellipticity 0.6346938E-02 Gb(Abramov) 0.2058312E+00 Vb(Abramov) -0.2664306E+00 Hb(Abramov) -0.6059942E-01 Ex_ueg -0.5393905E-01 Ec_ueg -0.7837406E-02 Delta_ex -0.6148693E-01 Delta_ec 0.1514535E-01 Delta_et -0.2000614E+00 Pxc 0.6882258E+01 Qxc -0.4059789E+01 3,-1 134 3 -1 -0.014640 0.877229 3.238805 Rho 0.1332533E+00 |GRAD(Rho)| 0.2169594E-15 GRAD(Rho)x 0.3333075E-16 GRAD(Rho)y 0.2074079E-15 GRAD(Rho)z 0.5424399E-16 Laplacian 0.5513285E+00 (-1/4)Del**2(Rho)) -0.1378321E+00 Diamond 0.9787928E+00 Metallicity 0.4345097E+01 Ellipticity 0.2657936E-02 Gb(Abramov) 0.1917037E+00 Vb(Abramov) -0.2455753E+00 Hb(Abramov) -0.5387161E-01 Ex_ueg -0.5026771E-01 Ec_ueg -0.7380266E-02 Delta_ex -0.5763493E-01 Delta_ec 0.1459953E-01 Delta_et -0.1913392E+00 Pxc 0.6811098E+01 Qxc -0.3947726E+01 3,-1 135 3 -1 1.894778 3.054383 0.701675 Rho 0.1191127E+00 |GRAD(Rho)| 0.1324520E-12 GRAD(Rho)x 0.9543713E-13 GRAD(Rho)y -0.4608187E-13 GRAD(Rho)z -0.7944653E-13 Laplacian 0.4717922E+00 (-1/4)Del**2(Rho)) -0.1179481E+00 Diamond 0.7182860E+00 Metallicity 0.4211719E+01 Ellipticity 0.4507241E-01 Gb(Abramov) 0.1614260E+00 Vb(Abramov) -0.2049040E+00 Hb(Abramov) -0.4347799E-01 Ex_ueg -0.4328419E-01 Ec_ueg -0.6496723E-02 Delta_ex -0.4782890E-01 Delta_ec 0.1249738E-01 Delta_et -0.1601688E+00 Pxc 0.6662465E+01 Qxc -0.3827115E+01 3,-1 136 3 -1 3.244123 3.137276 0.009472 Rho 0.2282504E+00 |GRAD(Rho)| 0.1975785E-13 GRAD(Rho)x 0.1685831E-13 GRAD(Rho)y 0.1028431E-13 GRAD(Rho)z -0.6347148E-15 Laplacian 0.8215716E+00 (-1/4)Del**2(Rho)) -0.2053929E+00 Diamond 0.2750158E+01 Metallicity 0.7150237E+01 Ellipticity 0.1777585E-02 Gb(Abramov) 0.3816966E+00 Vb(Abramov) -0.5580003E+00 Hb(Abramov) -0.1763037E+00 Ex_ueg -0.1030229E+00 Ec_ueg -0.1363068E-01 Delta_ex -0.9805768E-01 Delta_ec 0.1856865E-01 Delta_et -0.2573066E+00 Pxc 0.7558164E+01 Qxc -0.5280820E+01 3,-1 137 3 -1 3.900542 -0.616272 -2.255939 Rho 0.2272678E+00 |GRAD(Rho)| 0.4002788E-15 GRAD(Rho)x 0.3970348E-15 GRAD(Rho)y -0.4911436E-16 GRAD(Rho)z 0.1320016E-16 Laplacian 0.7995076E+00 (-1/4)Del**2(Rho)) -0.1998769E+00 Diamond 0.2675008E+01 Metallicity 0.7294917E+01 Ellipticity 0.8723862E-02 Gb(Abramov) 0.3762655E+00 Vb(Abramov) -0.5526541E+00 Hb(Abramov) -0.1763886E+00 Ex_ueg -0.1024320E+00 Ec_ueg -0.1356341E-01 Delta_ex -0.9538949E-01 Delta_ec 0.1822086E-01 Delta_et -0.2529561E+00 Pxc 0.7552079E+01 Qxc -0.5235182E+01 3,-1 138 3 -1 -0.346687 -3.115736 -1.582031 Rho 0.1377937E+00 |GRAD(Rho)| 0.3459881E-14 GRAD(Rho)x 0.3096183E-14 GRAD(Rho)y -0.2694723E-15 GRAD(Rho)z -0.1520465E-14 Laplacian 0.5091050E+00 (-1/4)Del**2(Rho)) -0.1272763E+00 Diamond 0.9388412E+00 Metallicity 0.4975705E+01 Ellipticity 0.1110596E+00 Gb(Abramov) 0.1903990E+00 Vb(Abramov) -0.2535218E+00 Hb(Abramov) -0.6312275E-01 Ex_ueg -0.5256428E-01 Ec_ueg -0.7666773E-02 Delta_ex -0.5363019E-01 Delta_ec 0.1333133E-01 Delta_et -0.1755666E+00 Pxc 0.6856116E+01 Qxc -0.4022867E+01 3,-1 139 3 -1 -0.502258 -3.068010 1.542992 Rho 0.2128189E+00 |GRAD(Rho)| 0.7372519E-13 GRAD(Rho)x -0.4135196E-13 GRAD(Rho)y 0.4656921E-13 GRAD(Rho)z -0.3945539E-13 Laplacian 0.8167731E+00 (-1/4)Del**2(Rho)) -0.2041933E+00 Diamond 0.2489059E+01 Metallicity 0.6400229E+01 Ellipticity 0.2115486E-01 Gb(Abramov) 0.3539428E+00 Vb(Abramov) -0.5036923E+00 Hb(Abramov) -0.1497495E+00 Ex_ueg -0.9384232E-01 Ec_ueg -0.1258044E-01 Delta_ex -0.9558677E-01 Delta_ec 0.1856036E-01 Delta_et -0.2551128E+00 Pxc 0.7459385E+01 Qxc -0.5150051E+01 3,-1 140 3 -1 0.423020 -1.830136 1.520153 Rho 0.3964668E-01 |GRAD(Rho)| 0.9344551E-14 GRAD(Rho)x -0.1376083E-15 GRAD(Rho)y -0.9039403E-14 GRAD(Rho)z 0.2364504E-14 Laplacian 0.1521958E+00 (-1/4)Del**2(Rho)) -0.3804896E-01 Diamond 0.5582670E-01 Metallicity 0.2087157E+01 Ellipticity 0.1040145E-01 Gb(Abramov) 0.3860167E-01 Vb(Abramov) -0.3915438E-01 Hb(Abramov) -0.5527067E-03 Ex_ueg -0.9984528E-02 Ec_ueg -0.1851130E-02 Delta_ex -0.1179594E-01 Delta_ec 0.4494677E-02 Delta_et -0.4455737E-01 Pxc 0.5393749E+01 Qxc -0.2624426E+01 3,-1 141 3 -1 1.586929 -2.717999 -1.969593 Rho 0.1263343E+00 |GRAD(Rho)| 0.8505585E-12 GRAD(Rho)x 0.7701433E-12 GRAD(Rho)y 0.3564233E-12 GRAD(Rho)z -0.5737169E-13 Laplacian 0.5113666E+00 (-1/4)Del**2(Rho)) -0.1278417E+00 Diamond 0.8331873E+00 Metallicity 0.4286305E+01 Ellipticity 0.3992048E-01 Gb(Abramov) 0.1765558E+00 Vb(Abramov) -0.2252700E+00 Hb(Abramov) -0.4871417E-01 Ex_ueg -0.4681808E-01 Ec_ueg -0.6946262E-02 Delta_ex -0.5254743E-01 Delta_ec 0.1330410E-01 Delta_et -0.1721094E+00 Pxc 0.6740039E+01 Qxc -0.3949717E+01 3,-1 142 3 -1 1.452990 -2.704225 1.937232 Rho 0.9682025E-01 |GRAD(Rho)| 0.3154263E-14 GRAD(Rho)x 0.7464122E-15 GRAD(Rho)y -0.2940475E-14 GRAD(Rho)z 0.8636284E-15 Laplacian 0.3906753E+00 (-1/4)Del**2(Rho)) -0.9766882E-01 Diamond 0.4646526E+00 Metallicity 0.3600871E+01 Ellipticity 0.2897215E-02 Gb(Abramov) 0.1237280E+00 Vb(Abramov) -0.1497872E+00 Hb(Abramov) -0.2605919E-01 Ex_ueg -0.3283522E-01 Ec_ueg -0.5132840E-02 Delta_ex -0.3774013E-01 Delta_ec 0.1088678E-01 Delta_et -0.1342645E+00 Pxc 0.6397087E+01 Qxc -0.3466602E+01 3,-1 143 3 -1 0.541117 -3.926520 2.213124 Rho 0.2341228E+00 |GRAD(Rho)| 0.1372601E-13 GRAD(Rho)x -0.5689595E-14 GRAD(Rho)y 0.1139312E-13 GRAD(Rho)z -0.5121392E-14 Laplacian 0.8575776E+00 (-1/4)Del**2(Rho)) -0.2143944E+00 Diamond 0.2945253E+01 Metallicity 0.7146266E+01 Ellipticity 0.1160321E-01 Gb(Abramov) 0.3982828E+00 Vb(Abramov) -0.5821713E+00 Hb(Abramov) -0.1838884E+00 Ex_ueg -0.1065720E+00 Ec_ueg -0.1403378E-01 Delta_ex -0.1029527E+00 Delta_ec 0.1909741E-01 Delta_et -0.2643469E+00 Pxc 0.7593963E+01 Qxc -0.5390925E+01 3,-1 144 3 -1 0.500941 3.304650 -1.504280 Rho 0.1517945E+00 |GRAD(Rho)| 0.5682403E-15 GRAD(Rho)x -0.7857755E-16 GRAD(Rho)y -0.4260915E-15 GRAD(Rho)z -0.3676530E-15 Laplacian 0.5996884E+00 (-1/4)Del**2(Rho)) -0.1499221E+00 Diamond 0.1234716E+01 Metallicity 0.4963416E+01 Ellipticity 0.3944054E-01 Gb(Abramov) 0.2239690E+00 Vb(Abramov) -0.2980160E+00 Hb(Abramov) -0.7404693E-01 Ex_ueg -0.5980345E-01 Ec_ueg -0.8558484E-02 Delta_ex -0.6460883E-01 Delta_ec 0.1520491E-01 Delta_et -0.2028207E+00 Pxc 0.6987622E+01 Qxc -0.4249208E+01 3,-1 145 3 -1 0.511615 3.313761 1.510477 Rho 0.1499147E+00 |GRAD(Rho)| 0.7577731E-14 GRAD(Rho)x -0.7258571E-14 GRAD(Rho)y -0.7509659E-15 GRAD(Rho)z 0.2042352E-14 Laplacian 0.5916761E+00 (-1/4)Del**2(Rho)) -0.1479190E+00 Diamond 0.1201192E+01 Metallicity 0.4927230E+01 Ellipticity 0.3701475E-01 Gb(Abramov) 0.2200845E+00 Vb(Abramov) -0.2922500E+00 Hb(Abramov) -0.7216551E-01 Ex_ueg -0.5881806E-01 Ec_ueg -0.8438054E-02 Delta_ex -0.6356125E-01 Delta_ec 0.1506733E-01 Delta_et -0.2006822E+00 Pxc 0.6970572E+01 Qxc -0.4218482E+01 3,-1 146 3 -1 -0.721554 3.810290 -2.291583 Rho 0.2403847E+00 |GRAD(Rho)| 0.6438368E-14 GRAD(Rho)x -0.3282530E-14 GRAD(Rho)y -0.4906991E-14 GRAD(Rho)z 0.2568854E-14 Laplacian 0.8875360E+00 (-1/4)Del**2(Rho)) -0.2218840E+00 Diamond 0.3132805E+01 Metallicity 0.7215591E+01 Ellipticity 0.3033581E-02 Gb(Abramov) 0.4147600E+00 Vb(Abramov) -0.6076360E+00 Hb(Abramov) -0.1928760E+00 Ex_ueg -0.1103894E+00 Ec_ueg -0.1446571E-01 Delta_ex -0.1072124E+00 Delta_ec 0.1948128E-01 Delta_et -0.2693517E+00 Pxc 0.7631110E+01 Qxc -0.5503355E+01 3,-1 147 3 -1 -0.707531 3.820694 2.305047 Rho 0.2403744E+00 |GRAD(Rho)| 0.3006008E-13 GRAD(Rho)x 0.7495063E-14 GRAD(Rho)y -0.2253807E-13 GRAD(Rho)z -0.1842466E-13 Laplacian 0.8876834E+00 (-1/4)Del**2(Rho)) -0.2219209E+00 Diamond 0.3133562E+01 Metallicity 0.7213876E+01 Ellipticity 0.3772605E-02 Gb(Abramov) 0.4147655E+00 Vb(Abramov) -0.6076101E+00 Hb(Abramov) -0.1928446E+00 Ex_ueg -0.1103831E+00 Ec_ueg -0.1446500E-01 Delta_ex -0.1072311E+00 Delta_ec 0.1948855E-01 Delta_et -0.2694687E+00 Pxc 0.7631050E+01 Qxc -0.5502263E+01 3,-1 148 3 -1 -0.188232 2.376190 2.369685 Rho 0.1472610E+00 |GRAD(Rho)| 0.3994617E-15 GRAD(Rho)x 0.1730658E-15 GRAD(Rho)y -0.2493394E-15 GRAD(Rho)z 0.2597071E-15 Laplacian 0.6144751E+00 (-1/4)Del**2(Rho)) -0.1536188E+00 Diamond 0.1216529E+01 Metallicity 0.4605272E+01 Ellipticity 0.1556012E-01 Gb(Abramov) 0.2203219E+00 Vb(Abramov) -0.2870250E+00 Hb(Abramov) -0.6670312E-01 Ex_ueg -0.5743397E-01 Ec_ueg -0.8268412E-02 Delta_ex -0.6567619E-01 Delta_ec 0.1563566E-01 Delta_et -0.2075435E+00 Pxc 0.6946191E+01 Qxc -0.4200410E+01 3,-1 149 3 -1 -0.666068 3.559147 0.802751 Rho 0.1357698E+00 |GRAD(Rho)| 0.2739693E-09 GRAD(Rho)x -0.5175621E-10 GRAD(Rho)y 0.1157967E-09 GRAD(Rho)z -0.2428407E-09 Laplacian 0.5344818E+00 (-1/4)Del**2(Rho)) -0.1336205E+00 Diamond 0.9636805E+00 Metallicity 0.4624010E+01 Ellipticity 0.3342722E-01 Gb(Abramov) 0.1920574E+00 Vb(Abramov) -0.2504943E+00 Hb(Abramov) -0.5843690E-01 Ex_ueg -0.5153741E-01 Ec_ueg -0.7538896E-02 Delta_ex -0.5604976E-01 Delta_ec 0.1395255E-01 Delta_et -0.1831383E+00 Pxc 0.6836201E+01 Qxc -0.4017170E+01 3,-1 150 3 -1 2.724693 1.881677 0.678566 Rho 0.1577132E+00 |GRAD(Rho)| 0.1171996E-15 GRAD(Rho)x 0.5082875E-16 GRAD(Rho)y -0.9104588E-16 GRAD(Rho)z 0.5350538E-16 Laplacian 0.6601584E+00 (-1/4)Del**2(Rho)) -0.1650396E+00 Diamond 0.1393971E+01 Metallicity 0.4805571E+01 Ellipticity 0.3869376E-01 Gb(Abramov) 0.2422113E+00 Vb(Abramov) -0.3193831E+00 Hb(Abramov) -0.7717173E-01 Ex_ueg -0.6293261E-01 Ec_ueg -0.8939084E-02 Delta_ex -0.7152651E-01 Delta_ec 0.1609368E-01 Delta_et -0.2145820E+00 Pxc 0.7040164E+01 Qxc -0.4444386E+01 3,-1 151 3 -1 0.978142 -0.136362 -3.441785 Rho 0.8184653E-01 |GRAD(Rho)| 0.3044578E-13 GRAD(Rho)x 0.1321868E-13 GRAD(Rho)y -0.3086979E-14 GRAD(Rho)z 0.2725220E-13 Laplacian 0.3305006E+00 (-1/4)Del**2(Rho)) -0.8262515E-01 Diamond 0.3210444E+00 Metallicity 0.3216928E+01 Ellipticity 0.3354619E-02 Gb(Abramov) 0.9938329E-01 Vb(Abramov) -0.1161414E+00 Hb(Abramov) -0.1675814E-01 Ex_ueg -0.2624533E-01 Ec_ueg -0.4239206E-02 Delta_ex -0.3072360E-01 Delta_ec 0.9555423E-02 Delta_et -0.1137479E+00 Pxc 0.6191096E+01 Qxc -0.3215305E+01 3,-1 152 3 -1 2.652006 -1.589454 1.961856 Rho 0.1758772E+00 |GRAD(Rho)| 0.4792886E-13 GRAD(Rho)x -0.4502007E-13 GRAD(Rho)y -0.4444253E-14 GRAD(Rho)z -0.1583088E-13 Laplacian 0.6886242E+00 (-1/4)Del**2(Rho)) -0.1721560E+00 Diamond 0.1689411E+01 Metallicity 0.5524762E+01 Ellipticity 0.4498342E-01 Gb(Abramov) 0.2732909E+00 Vb(Abramov) -0.3744258E+00 Hb(Abramov) -0.1011349E+00 Ex_ueg -0.7277763E-01 Ec_ueg -0.1012013E-01 Delta_ex -0.7693362E-01 Delta_ec 0.1677802E-01 Delta_et -0.2278276E+00 Pxc 0.7191374E+01 Qxc -0.4585380E+01 3,-1 153 3 -1 1.003918 -0.100472 3.458602 Rho 0.8904627E-01 |GRAD(Rho)| 0.2858855E-15 GRAD(Rho)x 0.2855179E-15 GRAD(Rho)y -0.8474300E-18 GRAD(Rho)z 0.1446817E-16 Laplacian 0.3612199E+00 (-1/4)Del**2(Rho)) -0.9030498E-01 Diamond 0.3875369E+00 Metallicity 0.3387409E+01 Ellipticity 0.2210726E-02 Gb(Abramov) 0.1111866E+00 Vb(Abramov) -0.1320683E+00 Hb(Abramov) -0.2088166E-01 Ex_ueg -0.2936789E-01 Ec_ueg -0.4666438E-02 Delta_ex -0.3421122E-01 Delta_ec 0.1022260E-01 Delta_et -0.1238880E+00 Pxc 0.6293427E+01 Qxc -0.3346626E+01 3,-1 154 3 -1 0.717098 -3.206633 0.857806 Rho 0.1321872E+00 |GRAD(Rho)| 0.4119339E-12 GRAD(Rho)x -0.1146045E-12 GRAD(Rho)y 0.2637608E-13 GRAD(Rho)z 0.3947907E-12 Laplacian 0.5431097E+00 (-1/4)Del**2(Rho)) -0.1357774E+00 Diamond 0.9561514E+00 Metallicity 0.4352188E+01 Ellipticity 0.1555026E-01 Gb(Abramov) 0.1890064E+00 Vb(Abramov) -0.2422354E+00 Hb(Abramov) -0.5322901E-01 Ex_ueg -0.4973217E-01 Ec_ueg -0.7313182E-02 Delta_ex -0.5668020E-01 Delta_ec 0.1443499E-01 Delta_et -0.1889847E+00 Pxc 0.6800345E+01 Qxc -0.3926585E+01 3,-1 155 3 -1 0.277409 -2.505352 2.695065 Rho 0.1458440E+00 |GRAD(Rho)| 0.4587829E-15 GRAD(Rho)x 0.9538946E-16 GRAD(Rho)y -0.2554516E-15 GRAD(Rho)z -0.3689540E-15 Laplacian 0.5776431E+00 (-1/4)Del**2(Rho)) -0.1444108E+00 Diamond 0.1137567E+01 Metallicity 0.4820603E+01 Ellipticity 0.4598176E-01 Gb(Abramov) 0.2122983E+00 Vb(Abramov) -0.2801859E+00 Hb(Abramov) -0.6788757E-01 Ex_ueg -0.5669828E-01 Ec_ueg -0.8178005E-02 Delta_ex -0.6166742E-01 Delta_ec 0.1486582E-01 Delta_et -0.1973460E+00 Pxc 0.6933022E+01 Qxc -0.4148268E+01 3,-1 156 3 -1 0.752609 -3.953008 -2.238567 Rho 0.2281513E+00 |GRAD(Rho)| 0.1281533E-15 GRAD(Rho)x 0.3277001E-16 GRAD(Rho)y 0.4824700E-16 GRAD(Rho)z -0.1141123E-15 Laplacian 0.8130400E+00 (-1/4)Del**2(Rho)) -0.2032600E+00 Diamond 0.2725112E+01 Metallicity 0.7220040E+01 Ellipticity 0.1165537E-02 Gb(Abramov) 0.3800975E+00 Vb(Abramov) -0.5569350E+00 Hb(Abramov) -0.1768375E+00 Ex_ueg -0.1029633E+00 Ec_ueg -0.1362389E-01 Delta_ex -0.9705657E-01 Delta_ec 0.1842830E-01 Delta_et -0.2555623E+00 Pxc 0.7557551E+01 Qxc -0.5266712E+01 3,-1 157 3 -1 0.807831 -3.225000 -0.885911 Rho 0.1384540E+00 |GRAD(Rho)| 0.7300716E-12 GRAD(Rho)x 0.1264236E-12 GRAD(Rho)y -0.8436226E-13 GRAD(Rho)z 0.7140760E-12 Laplacian 0.5750851E+00 (-1/4)Del**2(Rho)) -0.1437713E+00 Diamond 0.1045237E+01 Metallicity 0.4440075E+01 Ellipticity 0.1936936E-01 Gb(Abramov) 0.2022401E+00 Vb(Abramov) -0.2607088E+00 Hb(Abramov) -0.5846878E-01 Ex_ueg -0.5290042E-01 Ec_ueg -0.7708552E-02 Delta_ex -0.6041391E-01 Delta_ec 0.1461847E-01 Delta_et -0.1918022E+00 Pxc 0.6862562E+01 Qxc -0.4132710E+01 3,-1 158 3 -1 -2.136681 1.508680 -1.166204 Rho 0.3068993E+00 |GRAD(Rho)| 0.9721404E-15 GRAD(Rho)x 0.6341736E-15 GRAD(Rho)y -0.3682374E-15 GRAD(Rho)z 0.6381866E-15 Laplacian -0.1541381E+01 (-1/4)Del**2(Rho)) 0.3853453E+00 Diamond 0.5232195E+01 Metallicity -0.6242562E+01 Ellipticity 0.6457722E-03 Gb(Abramov) 0.1440268E+00 Vb(Abramov) -0.6733989E+00 Hb(Abramov) -0.5293721E+00 Ex_ueg -0.1528902E+00 Ec_ueg -0.1918639E-01 Delta_ex 0.1505742E+00 Delta_ec 0.5452981E-01 Delta_et -0.1269694E+01 Pxc 0.7968676E+01 Qxc 0.2761318E+01 3,-1 159 3 -1 -2.123732 1.513683 1.195305 Rho 0.3071201E+00 |GRAD(Rho)| 0.3174314E-15 GRAD(Rho)x -0.2368485E-15 GRAD(Rho)y 0.1980753E-15 GRAD(Rho)z 0.7369991E-16 Laplacian -0.1544965E+01 (-1/4)Del**2(Rho)) 0.3862413E+00 Diamond 0.5243949E+01 Metallicity -0.6235551E+01 Ellipticity 0.7386387E-03 Gb(Abramov) 0.1439104E+00 Vb(Abramov) -0.6740621E+00 Hb(Abramov) -0.5301517E+00 Ex_ueg -0.1530369E+00 Ec_ueg -0.1920247E-01 Delta_ex 0.1509861E+00 Delta_ec 0.5462254E-01 Delta_et -0.1272347E+01 Pxc 0.7969643E+01 Qxc 0.2764173E+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 81 157 138 141 127 156 70 124 122 148 149 145 147 111 97 99 152 102 103 53 133 54 151 60 136 91 129 150 95 135 72 77 59 134 74 153 140 139 154 155 142 143 114 101 98 86 128 137 123 125 120 146 144 132 79 52 49 84 71 131 76 80 104 119 130 158 159 105 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 2.547848 1.921368 1.943258 1.965468 1.920227 1.736159 1.758242 2.429301 1.928400 1.920418 1.963818 1.924334 1.742240 2.601549 1.949161 2.033690 1.860527 1.855142 1.748766 2.373566 1.938458 1.756727 2.167119 1.994964 1.735797 2.476108 1.895417 1.869233 2.001512 1.992499 1.756197 2.461983 1.760215 1.959003 1.970805 2.132210 2.469251 1.790202 1.964658 1.932564 2.097376 1.752951 2.673934 1.987648 1.943046 1.845238 1.933698 1.738139 2.432085 1.941517 1.930332 1.742228 1.919423 1.945469 1.574575 3.226013 3.199086 1.529673 1.736917 1.729143 1.601612 1.581984 1.659198 2.942987 2.976220 1.007787 1.007485 1.012123 2.548805 1.922117 1.944328 1.966218 1.921023 1.736174 1.758261 2.430511 1.929713 1.920892 1.964350 1.924848 1.742246 2.602628 1.949647 2.034082 1.860894 1.855558 1.748777 2.374889 1.938815 1.756761 2.167633 1.995550 1.735810 2.477256 1.896000 1.869798 2.002384 1.993277 1.756225 2.463155 1.760263 1.959303 1.971373 2.132752 2.470306 1.790306 1.965007 1.933130 2.097920 1.752975 2.674981 1.988292 1.943675 1.845824 1.934303 1.738152 2.433296 1.941975 1.931669 1.742231 1.919935 1.946012 1.574605 3.259117 3.226619 1.529750 1.743246 1.735291 1.601627 1.581992 1.661689 2.953223 2.988779 1.007863 1.007566 1.012201 29 23 23 25 23 22 23 27 25 23 23 23 21 29 24 25 22 22 21 27 25 23 25 24 21 29 27 23 26 23 23 29 23 23 23 25 29 22 23 23 28 22 33 23 25 23 26 21 27 23 27 20 23 25 22 35 35 22 24 23 21 22 25 33 33 18 19 19 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 W W W Mo W 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 P O O O O O O O O H H H 2.2787 -0.8414 2.4357 2.4227 2.3536 2.3218 2.3513 -0.7392 -0.8426 2.3682 2.2650 2.4317 -1.0293 -0.9152 -1.0694 -1.0383 -0.8641 -0.9777 -0.8068 -0.9094 -0.7861 -0.9410 -0.7838 -0.9391 -0.9753 -0.7729 -0.9120 -0.7995 -0.9011 -0.8067 -0.9452 -1.0027 -0.9177 -0.9673 -0.9689 2.2055 -0.8337 -0.9687 -0.9445 -0.9459 -0.7408 -0.7514 -0.8066 -0.8290 0.2799 0.2786 0.2806 1.9676 1.9564 2.1021 2.0989 2.1320 1.9659 2.1289 1.9729 1.9570 2.1233 1.9608 2.1022 1.8966 1.9121 1.8947 1.8964 1.9558 1.9291 1.9597 1.9386 1.8760 1.9348 1.8763 1.9353 1.9290 1.8783 1.9405 1.9610 1.9520 1.9620 1.9419 1.9376 1.9424 1.9392 1.9414 2.5558 1.9579 1.9422 1.9449 1.9420 1.9717 1.9717 1.9622 1.9596 0.5602 0.5604 0.5522 6.0998 4.8526 6.1063 6.0983 6.1115 6.0738 6.1174 4.7340 4.8529 6.1151 6.1042 6.1084 5.0955 4.9611 5.1362 5.1048 4.8754 5.0195 4.8141 4.9443 4.8793 4.9797 4.8765 4.9758 5.0171 4.8657 4.9434 4.8050 4.9213 4.8099 4.9743 5.0335 4.9478 4.9961 4.9963 7.4224 4.8427 4.9963 4.9708 4.9748 4.7370 4.7477 4.8097 4.8356 0.1598 0.1610 0.1672 3.6539 0.0325 3.3266 3.3508 3.3742 3.6385 3.3738 0.0322 0.0327 3.3645 3.6699 3.3286 0.0372 0.0419 0.0386 0.0370 0.0329 0.0291 0.0330 0.0265 0.0308 0.0264 0.0309 0.0281 0.0292 0.0289 0.0281 0.0334 0.0278 0.0347 0.0290 0.0315 0.0275 0.0320 0.0311 0.8162 0.0331 0.0301 0.0288 0.0291 0.0321 0.0320 0.0347 0.0339 0.0000 0.0000 0.0000 0.0000 0.0000 14.0292 14.0293 14.0286 0.0000 14.0285 0.0000 0.0000 14.0289 0.0000 14.0292 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 W W W Mo W 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 P O O O O O O O O H H H 3.171181 -0.888436 2.509775 2.493745 2.479267 3.176364 2.476099 -1.010334 -0.890171 2.483263 3.170524 2.509057 -1.074519 -0.800996 -1.072218 -1.028783 -0.820196 -0.978697 -0.860440 -1.195808 -0.633159 -1.092835 -0.629952 -1.084893 -0.977052 -0.765103 -1.088247 -0.849870 -1.090729 -0.843525 -1.063091 -0.978193 -1.193232 -0.964663 -0.967839 1.997321 -0.880620 -0.972014 -1.073300 -1.066066 -1.018112 -1.024552 -0.843369 -0.870964 0.046879 0.045289 0.033212 2.345318 -0.789824 1.949327 1.942261 1.945320 2.367213 1.933674 -0.792980 -0.800218 1.935341 2.363514 1.948507 -0.818636 -0.684039 -0.794325 -0.741262 -0.744248 -0.719589 -0.766449 -0.932046 -0.781809 -0.823683 -0.778664 -0.824744 -0.725096 -0.874726 -0.839228 -0.746836 -0.890230 -0.729520 -0.872604 -0.790772 -0.955136 -0.782779 -0.801713 1.577078 -0.785408 -0.807977 -0.850295 -0.873509 -0.787800 -0.803545 -0.729360 -0.773832 0.307901 0.307396 0.290031 2.495100 -0.760301 2.039145 2.041769 2.027291 2.461365 2.026186 -0.750942 -0.776869 2.040378 2.453553 2.037914 -0.886162 -0.689407 -0.857419 -0.799959 -0.803235 -0.807647 -0.783197 -1.001639 -0.826344 -0.921800 -0.820798 -0.916829 -0.810195 -0.937180 -0.909344 -0.761051 -0.917153 -0.703445 -0.920765 -0.855762 -1.000579 -0.823235 -0.824656 1.550292 -0.766760 -0.835965 -0.914022 -0.923107 -0.783134 -0.766095 -0.702450 -0.741635 0.370723 0.367584 0.387781 -15.84214804 -0.40852122 -2.15766705 15.99362595 68.05415695 18.81601663 -4.35274963 -18.70672664 5.10127746 -49.34743031 -314.2337 352.2593 -49.0048 -343.2424 -44.7611 -398.9827 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 Apr07-2024 23:03:06 Nodes: 1 Procs: 1 0 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Apr07-2024 23:03:07 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr07-2024 23:03:08 Nodes: 1 Procs: 1 Apr07-2024 23:03:08 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Apr07-2024 23:03:09 Nodes: 1 Procs: 1 Apr07-2024 23:03:10 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr07-2024 23:03:12 Nodes: 1 Procs: 1 Apr07-2024 23:03:12 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr07-2024 23:03:13 Nodes: 1 Procs: 24 *** (NO TITLE) *** -6 -14.58520223 -14.63936758 -14.65585398 -14.65743410 -14.65901982 -14.65921225 -14.66034841 -14.66080104 -14.66119471 -14.66154780 -14.66171520 -14.66187152 -14.66198293 -14.66204370 -14.66209611 -14.66213579 -14.66220529 -14.66222567 -14.66224169 -14.66225864 -14.66226099 -14.66234619 GEOMETRY CONVERGED