ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 22:36:46 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.03 0.83 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 Apr08-2024 22:36:46 Nodes: 1 Procs: 1 Apr08-2024 22:36:47 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 22:36:47 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.02 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 Apr08-2024 22:36:46 Nodes: 1 Procs: 1 Apr08-2024 22:36:47 Nodes: 1 Procs: 1 0 Apr08-2024 22:36:47 Nodes: 1 Procs: 1 Apr08-2024 22:36:48 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 22:36:48 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.46 0.02 0.51 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 Apr08-2024 22:36:46 Nodes: 1 Procs: 1 Apr08-2024 22:36:47 Nodes: 1 Procs: 1 0 Apr08-2024 22:36:47 Nodes: 1 Procs: 1 Apr08-2024 22:36:48 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr08-2024 22:36:48 Nodes: 1 Procs: 1 Apr08-2024 22:36:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 22:36:49 Molybdenum (TZP, 3d frozen) 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) 1.30 0.06 1.41 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 Apr08-2024 22:36:46 Nodes: 1 Procs: 1 Apr08-2024 22:36:47 Nodes: 1 Procs: 1 0 Apr08-2024 22:36:47 Nodes: 1 Procs: 1 Apr08-2024 22:36:48 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr08-2024 22:36:48 Nodes: 1 Procs: 1 Apr08-2024 22:36:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr08-2024 22:36:49 Nodes: 1 Procs: 1 Apr08-2024 22:36:50 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 22:36:52 Molybdenum (TZP, 3d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2413.490361000002 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Apr08-2024 22:36:50 1 1 Tungsten TZP 4d t21.P ADF 2019 Apr08-2024 22:36:48 1 1 Phosphorus TZP 1s t21.Mo ADF 2019 Apr08-2024 22:36:47 1 1 Molybdenum TZP 3d t21.O ADF 2019 Apr08-2024 22:36:49 1 1 Oxygen TZP 1s 1 1 -16.01597923 0.35978008 0.00100000 F 0.10867335 0.00066667 F 0.35978008 0.10867335 0.19529365 0.01000000 F 0.05675421 0.00666667 F Cartesian 2413.490361000002 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-1.265914 Rho 0.3187897E+03 3,-3 16 3 -3 -0.904782 1.264142 0.024075 Rho 0.3187778E+03 3,-3 17 3 -3 -3.020267 0.070939 1.607854 Rho 0.3190006E+03 3,-3 18 3 -3 3.066925 -1.587600 0.003769 Rho 0.3188836E+03 3,-3 19 3 -3 -3.035989 0.096990 -1.621893 Rho 0.3191398E+03 3,-3 20 3 -3 3.083561 1.759521 -0.001009 Rho 0.3189077E+03 3,-3 21 3 -3 1.365098 -3.126365 -1.477775 Rho 0.3194771E+03 3,-3 22 3 -3 1.164607 2.965708 1.306915 Rho 0.3189341E+03 3,-3 23 3 -3 -1.165716 -1.274295 -2.919838 Rho 0.3188302E+03 3,-3 24 3 -3 -1.146008 1.346449 2.953737 Rho 0.3188624E+03 3,-3 25 3 -3 -1.152200 1.368698 -2.977109 Rho 0.3189279E+03 3,-3 26 3 -3 -1.157429 -1.300601 2.934513 Rho 0.3188308E+03 3,-3 27 3 -3 1.158886 2.952581 -1.306324 Rho 0.3188733E+03 3,-3 28 3 -3 1.429810 -3.187228 1.514616 Rho 0.3193231E+03 3,-3 29 3 -3 3.398678 0.119695 2.112126 Rho 0.3191237E+03 3,-3 30 3 -3 -3.429310 -2.146347 -0.000986 Rho 0.3188821E+03 3,-3 31 3 -3 3.403079 0.096514 -2.119434 Rho 0.3190446E+03 3,-3 32 3 -3 -3.401821 2.243399 0.001914 Rho 0.3189771E+03 3,-3 33 3 -3 1.473457 1.388512 3.451984 Rho 0.3189802E+03 3,-3 34 3 -3 1.523494 -1.289181 -3.479369 Rho 0.3189701E+03 3,-3 35 3 -3 -1.465888 3.475821 1.346506 Rho 0.3189410E+03 3,-3 36 3 -3 -1.790014 -3.659781 -1.672926 Rho 0.3192675E+03 3,-3 37 3 -3 -1.790191 -3.647693 1.656790 Rho 0.3192643E+03 3,-3 38 3 -3 -1.472084 3.487294 -1.334911 Rho 0.3189927E+03 3,-3 39 3 -3 1.547373 -1.279391 3.463017 Rho 0.3189159E+03 3,-3 40 3 -3 1.477638 1.386543 -3.435144 Rho 0.3189205E+03 3,-3 41 3 -3 -0.193484 0.000896 5.261319 Rho 0.3192827E+03 3,-3 42 3 -3 3.874211 -2.724923 -2.536633 Rho 0.3193544E+03 3,-3 43 3 -3 -0.193821 0.011049 -5.264447 Rho 0.3192829E+03 3,-3 44 3 -3 0.221674 5.315497 -0.003698 Rho 0.3192584E+03 3,-3 45 3 -3 3.926052 -2.646680 2.533315 Rho 0.3192246E+03 3,-3 46 3 -3 3.759144 2.853217 -2.539870 Rho 0.3192666E+03 3,-3 47 3 -3 -3.771136 2.536718 -2.824748 Rho 0.3193808E+03 3,-3 48 3 -3 -3.862228 -2.299624 2.801876 Rho 0.3192246E+03 3,-3 49 3 -3 -3.857573 -2.280092 -2.787047 Rho 0.3192252E+03 3,-3 50 3 -3 -3.753201 2.518846 2.797472 Rho 0.3192526E+03 3,-3 51 3 -3 3.756798 2.881436 2.563828 Rho 0.3193964E+03 3,-3 52 3 -1 -1.730854 -1.633055 0.834596 Rho 0.4659417E-01 |GRAD(Rho)| 0.3871510E-12 GRAD(Rho)x 0.2353075E-12 GRAD(Rho)y 0.1442576E-12 GRAD(Rho)z -0.2714884E-12 Laplacian 0.1840617E+00 (-1/4)Del**2(Rho)) -0.4601543E-01 Diamond 0.8605387E-01 Metallicity 0.2258754E+01 Ellipticity 0.2140700E-01 Gb(Abramov) 0.4799988E-01 Vb(Abramov) -0.4998433E-01 Hb(Abramov) -0.1984449E-02 Ex_ueg -0.1238304E-01 Ec_ueg -0.2227495E-02 Delta_ex -0.1494516E-01 Delta_ec 0.5595458E-02 Delta_et -0.5794473E-01 Pxc 0.5559175E+01 Qxc -0.2670945E+01 3,-1 53 3 +1 1.674473 -0.788288 -0.022615 Rho 0.8247024E-02 |GRAD(Rho)| 0.6140934E-12 GRAD(Rho)x -0.2435330E-12 GRAD(Rho)y 0.6517091E-13 GRAD(Rho)z -0.5599600E-12 Laplacian 0.3499573E-01 (-1/4)Del**2(Rho)) -0.8748932E-02 Diamond 0.9461706E-03 Metallicity 0.6628678E+00 Ellipticity -0.1410106E+01 Gb(Abramov) 0.6799186E-02 Vb(Abramov) -0.4849439E-02 Hb(Abramov) 0.1949747E-02 Ex_ueg -0.1230594E-02 Ec_ueg -0.2892148E-03 Delta_ex -0.1611261E-02 Delta_ec 0.5448660E-03 Delta_et -0.3641043E-02 Pxc 0.4254948E+01 Qxc -0.2957170E+01 3,+1 54 3 +1 -1.734994 0.019975 -0.751886 Rho 0.9041357E-02 |GRAD(Rho)| 0.5957657E-17 GRAD(Rho)x -0.4675802E-17 GRAD(Rho)y -0.3360094E-17 GRAD(Rho)z 0.1529814E-17 Laplacian 0.3808036E-01 (-1/4)Del**2(Rho)) -0.9520089E-02 Diamond 0.1199268E-02 Metallicity 0.7100706E+00 Ellipticity -0.1487620E+01 Gb(Abramov) 0.7473382E-02 Vb(Abramov) -0.5426675E-02 Hb(Abramov) 0.2046707E-02 Ex_ueg -0.1391116E-02 Ec_ueg -0.3247706E-03 Delta_ex -0.1807508E-02 Delta_ec 0.6172982E-03 Delta_et -0.4208644E-02 Pxc 0.4283379E+01 Qxc -0.2928095E+01 3,+1 55 3 +1 -2.975999 -0.332166 -0.013445 Rho 0.5235557E-02 |GRAD(Rho)| 0.5789170E-13 GRAD(Rho)x 0.1195832E-13 GRAD(Rho)y 0.4206916E-13 GRAD(Rho)z 0.3792933E-13 Laplacian 0.2127826E-01 (-1/4)Del**2(Rho)) -0.5319564E-02 Diamond 0.3845022E-03 Metallicity 0.5112288E+00 Ellipticity -0.1471590E+01 Gb(Abramov) 0.3999628E-02 Vb(Abramov) -0.2679693E-02 Hb(Abramov) 0.1319936E-02 Ex_ueg -0.6714323E-03 Ec_ueg -0.1570638E-03 Delta_ex -0.9421838E-03 Delta_ec 0.4464659E-03 Delta_et -0.2548329E-02 Pxc 0.4274901E+01 Qxc -0.2110315E+01 3,+1 56 3 -1 -1.786662 -1.637455 2.349594 Rho 0.1311909E+00 |GRAD(Rho)| 0.5650152E-15 GRAD(Rho)x -0.4203452E-15 GRAD(Rho)y -0.2566916E-15 GRAD(Rho)z -0.2768781E-15 Laplacian 0.5471151E+00 (-1/4)Del**2(Rho)) -0.1367788E+00 Diamond 0.9549824E+00 Metallicity 0.4266195E+01 Ellipticity 0.1502292E-01 Gb(Abramov) 0.1884400E+00 Vb(Abramov) -0.2401012E+00 Hb(Abramov) -0.5166122E-01 Ex_ueg -0.4923304E-01 Ec_ueg -0.7250566E-02 Delta_ex -0.5700024E-01 Delta_ec 0.1457817E-01 Delta_et -0.1906428E+00 Pxc 0.6790235E+01 Qxc -0.3909971E+01 3,-1 57 3 -1 -3.229024 -2.174188 -2.287471 Rho 0.2299757E+00 |GRAD(Rho)| 0.5359270E-15 GRAD(Rho)x 0.5126108E-15 GRAD(Rho)y -0.3127923E-16 GRAD(Rho)z 0.1531978E-15 Laplacian 0.8505857E+00 (-1/4)Del**2(Rho)) -0.2126464E+00 Diamond 0.2857503E+01 Metallicity 0.6993558E+01 Ellipticity 0.2148767E-01 Gb(Abramov) 0.3896235E+00 Vb(Abramov) -0.5666005E+00 Hb(Abramov) -0.1769770E+00 Ex_ueg -0.1040625E+00 Ec_ueg -0.1374891E-01 Delta_ex -0.1016307E+00 Delta_ec 0.1902478E-01 Delta_et -0.2630712E+00 Pxc 0.7568780E+01 Qxc -0.5342019E+01 3,-1 58 3 -1 -2.971389 -2.094370 -0.790076 Rho 0.1417243E+00 |GRAD(Rho)| 0.3100681E-13 GRAD(Rho)x 0.1753387E-13 GRAD(Rho)y 0.1886490E-14 GRAD(Rho)z -0.2550347E-13 Laplacian 0.5474219E+00 (-1/4)Del**2(Rho)) -0.1368555E+00 Diamond 0.1049894E+01 Metallicity 0.4849514E+01 Ellipticity 0.4224437E-01 Gb(Abramov) 0.2018507E+00 Vb(Abramov) -0.2668460E+00 Hb(Abramov) -0.6499525E-01 Ex_ueg -0.5457295E-01 Ec_ueg -0.7915872E-02 Delta_ex -0.5812319E-01 Delta_ec 0.1434670E-01 Delta_et -0.1899849E+00 Pxc 0.6894117E+01 Qxc -0.4051329E+01 3,-1 59 3 -1 -2.977417 -2.090670 0.794796 Rho 0.1399427E+00 |GRAD(Rho)| 0.7470429E-13 GRAD(Rho)x 0.3236124E-13 GRAD(Rho)y -0.1597366E-14 GRAD(Rho)z 0.6731218E-13 Laplacian 0.5393782E+00 (-1/4)Del**2(Rho)) -0.1348445E+00 Diamond 0.1020345E+01 Metallicity 0.4819149E+01 Ellipticity 0.3695265E-01 Gb(Abramov) 0.1982024E+00 Vb(Abramov) -0.2615602E+00 Hb(Abramov) -0.6335780E-01 Ex_ueg -0.5366018E-01 Ec_ueg -0.7802845E-02 Delta_ex -0.5710968E-01 Delta_ec 0.1420809E-01 Delta_et -0.1878425E+00 Pxc 0.6877002E+01 Qxc -0.4019518E+01 3,-1 60 3 -1 -3.237773 -2.181652 2.300698 Rho 0.2304740E+00 |GRAD(Rho)| 0.8390250E-13 GRAD(Rho)x 0.6403504E-13 GRAD(Rho)y 0.1276819E-13 GRAD(Rho)z -0.5268886E-13 Laplacian 0.8483143E+00 (-1/4)Del**2(Rho)) -0.2120786E+00 Diamond 0.2860442E+01 Metallicity 0.7037625E+01 Ellipticity 0.2106274E-01 Gb(Abramov) 0.3901406E+00 Vb(Abramov) -0.5682027E+00 Hb(Abramov) -0.1780621E+00 Ex_ueg -0.1043632E+00 Ec_ueg -0.1378309E-01 Delta_ex -0.1014340E+00 Delta_ec 0.1899352E-01 Delta_et -0.2627965E+00 Pxc 0.7571831E+01 Qxc -0.5340455E+01 3,-1 61 3 -1 -2.806778 0.912481 -1.679513 Rho 0.1836685E+00 |GRAD(Rho)| 0.7401035E-16 GRAD(Rho)x 0.5156737E-16 GRAD(Rho)y -0.3870602E-16 GRAD(Rho)z 0.3633433E-16 Laplacian 0.7434436E+00 (-1/4)Del**2(Rho)) -0.1858609E+00 Diamond 0.1877035E+01 Metallicity 0.5500762E+01 Ellipticity 0.2907194E-01 Gb(Abramov) 0.2943034E+00 Vb(Abramov) -0.4027458E+00 Hb(Abramov) -0.1084425E+00 Ex_ueg -0.7710772E-01 Ec_ueg -0.1063260E-01 Delta_ex -0.8363187E-01 Delta_ec 0.1730636E-01 Delta_et -0.2342315E+00 Pxc 0.7252008E+01 Qxc -0.4832436E+01 3,-1 62 3 +3 -2.380582 -0.016481 -0.016548 Rho 0.4824917E-02 |GRAD(Rho)| 0.1482083E-15 GRAD(Rho)x 0.1128983E-15 GRAD(Rho)y -0.9577993E-16 GRAD(Rho)z -0.6773471E-17 Laplacian 0.2017571E-01 (-1/4)Del**2(Rho)) -0.5043927E-02 Diamond 0.2013547E-03 Metallicity 0.4705446E+00 Ellipticity -0.6270130E+00 Gb(Abramov) 0.3758184E-02 Vb(Abramov) -0.2472440E-02 Hb(Abramov) 0.1285744E-02 Ex_ueg -0.6021503E-03 Ec_ueg -0.1393861E-03 Delta_ex -0.7556112E-03 Delta_ec 0.2056601E-03 Delta_et -0.1279377E-02 Pxc 0.4320018E+01 Qxc -0.3674078E+01 3,+3 63 3 -1 -2.795573 0.885725 1.649013 Rho 0.1895163E+00 |GRAD(Rho)| 0.2286917E-15 GRAD(Rho)x 0.1476819E-15 GRAD(Rho)y 0.1740687E-15 GRAD(Rho)z -0.1378631E-16 Laplacian 0.7742838E+00 (-1/4)Del**2(Rho)) -0.1935709E+00 Diamond 0.2048326E+01 Metallicity 0.5564901E+01 Ellipticity 0.2259069E-01 Gb(Abramov) 0.3085812E+00 Vb(Abramov) -0.4235914E+00 Hb(Abramov) -0.1150102E+00 Ex_ueg -0.8039838E-01 Ec_ueg -0.1101953E-01 Delta_ex -0.8793273E-01 Delta_ec 0.1811161E-01 Delta_et -0.2465907E+00 Pxc 0.7295990E+01 Qxc -0.4855047E+01 3,-1 64 3 -1 -2.993199 2.049325 -0.820318 Rho 0.1235655E+00 |GRAD(Rho)| 0.3314984E-15 GRAD(Rho)x -0.1932082E-15 GRAD(Rho)y 0.3528062E-16 GRAD(Rho)z 0.2670525E-15 Laplacian 0.4827234E+00 (-1/4)Del**2(Rho)) -0.1206808E+00 Diamond 0.7699714E+00 Metallicity 0.4375996E+01 Ellipticity 0.3958990E-01 Gb(Abramov) 0.1684704E+00 Vb(Abramov) -0.2162599E+00 Hb(Abramov) -0.4778952E-01 Ex_ueg -0.4545497E-01 Ec_ueg -0.6773481E-02 Delta_ex -0.4939347E-01 Delta_ec 0.1272034E-01 Delta_et -0.1641237E+00 Pxc 0.6710725E+01 Qxc -0.3883029E+01 3,-1 65 3 +1 -2.127910 1.707194 -0.199995 Rho 0.2291627E-01 |GRAD(Rho)| 0.3598375E-15 GRAD(Rho)x 0.2560271E-15 GRAD(Rho)y 0.9507006E-16 GRAD(Rho)z 0.2342964E-15 Laplacian 0.8759415E-01 (-1/4)Del**2(Rho)) -0.2189854E-01 Diamond 0.9791181E-02 Metallicity 0.1454492E+01 Ellipticity -0.2990461E+01 Gb(Abramov) 0.1990756E-01 Vb(Abramov) -0.1791659E-01 Hb(Abramov) 0.1990973E-02 Ex_ueg -0.4807400E-02 Ec_ueg -0.9843847E-03 Delta_ex -0.5277678E-02 Delta_ec 0.1405375E-02 Delta_et -0.1216603E-01 Pxc 0.4883660E+01 Qxc -0.3755352E+01 3,+1 66 3 -1 -1.784236 -1.627585 -2.336835 Rho 0.1324478E+00 |GRAD(Rho)| 0.7894584E-15 GRAD(Rho)x -0.5030156E-15 GRAD(Rho)y 0.2687060E-15 GRAD(Rho)z 0.5459093E-15 Laplacian 0.5541588E+00 (-1/4)Del**2(Rho)) -0.1385397E+00 Diamond 0.9784519E+00 Metallicity 0.4279437E+01 Ellipticity 0.1369416E-01 Gb(Abramov) 0.1911718E+00 Vb(Abramov) -0.2438039E+00 Hb(Abramov) -0.5263209E-01 Ex_ueg -0.4986294E-01 Ec_ueg -0.7329573E-02 Delta_ex -0.5786707E-01 Delta_ec 0.1473302E-01 Delta_et -0.1929697E+00 Pxc 0.6802980E+01 Qxc -0.3927714E+01 3,-1 67 3 -1 -1.723293 -1.635850 -0.844496 Rho 0.5066270E-01 |GRAD(Rho)| 0.1388197E-15 GRAD(Rho)x 0.4792767E-16 GRAD(Rho)y -0.1019440E-15 GRAD(Rho)z -0.8112500E-16 Laplacian 0.2024496E+00 (-1/4)Del**2(Rho)) -0.5061240E-01 Diamond 0.1061998E+00 Metallicity 0.2361077E+01 Ellipticity 0.1451250E-01 Gb(Abramov) 0.5365823E-01 Vb(Abramov) -0.5670406E-01 Hb(Abramov) -0.3045828E-02 Ex_ueg -0.1384532E-01 Ec_ueg -0.2451538E-02 Delta_ex -0.1679229E-01 Delta_ec 0.6161577E-02 Delta_et -0.6523459E-01 Pxc 0.5647603E+01 Qxc -0.2725324E+01 3,-1 68 3 +1 -2.189781 -1.731958 0.082614 Rho 0.2891341E-01 |GRAD(Rho)| 0.1143414E-15 GRAD(Rho)x -0.4664676E-16 GRAD(Rho)y -0.5370357E-16 GRAD(Rho)z 0.8952068E-16 Laplacian 0.1206811E+00 (-1/4)Del**2(Rho)) -0.3017029E-01 Diamond 0.2072329E-01 Metallicity 0.1555271E+01 Ellipticity -0.6317569E+01 Gb(Abramov) 0.2793402E-01 Vb(Abramov) -0.2569775E-01 Hb(Abramov) 0.2236269E-02 Ex_ueg -0.6554167E-02 Ec_ueg -0.1287697E-02 Delta_ex -0.7933129E-02 Delta_ec 0.2277692E-02 Delta_et -0.2079684E-01 Pxc 0.5089836E+01 Qxc -0.3482968E+01 3,+1 69 3 +1 -1.723655 -0.012284 0.743772 Rho 0.9534860E-02 |GRAD(Rho)| 0.7518479E-17 GRAD(Rho)x -0.1938017E-17 GRAD(Rho)y -0.5374089E-17 GRAD(Rho)z 0.4887819E-17 Laplacian 0.4038591E-01 (-1/4)Del**2(Rho)) -0.1009648E-01 Diamond 0.1342284E-02 Metallicity 0.7315441E+00 Ellipticity -0.1481836E+01 Gb(Abramov) 0.7961987E-02 Vb(Abramov) -0.5827498E-02 Hb(Abramov) 0.2134489E-02 Ex_ueg -0.1493267E-02 Ec_ueg -0.3470000E-03 Delta_ex -0.1932595E-02 Delta_ec 0.6371187E-03 Delta_et -0.4417343E-02 Pxc 0.4303363E+01 Qxc -0.3033336E+01 3,+1 70 3 +1 -1.772732 0.040760 -2.465190 Rho 0.1159573E-01 |GRAD(Rho)| 0.6911780E-16 GRAD(Rho)x 0.5914842E-16 GRAD(Rho)y -0.7747714E-17 GRAD(Rho)z -0.3491001E-16 Laplacian 0.5659496E-01 (-1/4)Del**2(Rho)) -0.1414874E-01 Diamond 0.2180201E-02 Metallicity 0.7233226E+00 Ellipticity -0.1283290E+01 Gb(Abramov) 0.1113818E-01 Vb(Abramov) -0.8127615E-02 Hb(Abramov) 0.3010563E-02 Ex_ueg -0.1938425E-02 Ec_ueg -0.4409387E-03 Delta_ex -0.2761888E-02 Delta_ec 0.7435236E-03 Delta_et -0.5521598E-02 Pxc 0.4396133E+01 Qxc -0.3714594E+01 3,+1 71 3 -1 -0.204293 -3.350586 -1.568730 Rho 0.4850854E-02 |GRAD(Rho)| 0.4870985E-17 GRAD(Rho)x -0.4393506E-17 GRAD(Rho)y -0.2091929E-17 GRAD(Rho)z 0.2177891E-18 Laplacian 0.1894971E-01 (-1/4)Del**2(Rho)) -0.4737427E-02 Diamond 0.6659519E-03 Metallicity 0.5054842E+00 Ellipticity 0.1470562E+00 Gb(Abramov) 0.3557400E-02 Vb(Abramov) -0.2377374E-02 Hb(Abramov) 0.1180027E-02 Ex_ueg -0.6064699E-03 Ec_ueg -0.1405001E-03 Delta_ex -0.1170337E-02 Delta_ec 0.1013877E-02 Delta_et -0.5287137E-02 Pxc 0.4316510E+01 Qxc -0.1154318E+01 3,-1 72 3 +1 -0.272941 -2.557157 -1.172885 Rho 0.3053784E-02 |GRAD(Rho)| 0.9033574E-18 GRAD(Rho)x 0.7015976E-18 GRAD(Rho)y -0.3710346E-18 GRAD(Rho)z -0.4314496E-18 Laplacian 0.1218086E-01 (-1/4)Del**2(Rho)) -0.3045215E-02 Diamond 0.1092885E-03 Metallicity 0.3636350E+00 Ellipticity -0.1315085E+01 Gb(Abramov) 0.2214701E-02 Vb(Abramov) -0.1384188E-02 Hb(Abramov) 0.8305140E-03 Ex_ueg -0.3272173E-03 Ec_ueg -0.6414537E-04 Delta_ex -0.4858806E-03 Delta_ec 0.2643682E-03 Delta_et -0.1286673E-02 Pxc 0.5101183E+01 Qxc -0.1837894E+01 3,+1 73 3 -1 -0.174969 -3.383136 1.581485 Rho 0.4465128E-02 |GRAD(Rho)| 0.1483386E-15 GRAD(Rho)x -0.6522934E-16 GRAD(Rho)y 0.1300178E-15 GRAD(Rho)z 0.2906604E-16 Laplacian 0.1705666E-01 (-1/4)Del**2(Rho)) -0.4264164E-02 Diamond 0.5401085E-03 Metallicity 0.4891504E+00 Ellipticity 0.1288211E+00 Gb(Abramov) 0.3190413E-02 Vb(Abramov) -0.2116661E-02 Hb(Abramov) 0.1073752E-02 Ex_ueg -0.5430381E-03 Ec_ueg -0.1239682E-03 Delta_ex -0.1044162E-02 Delta_ec 0.9196709E-03 Delta_et -0.4671183E-02 Pxc 0.4380463E+01 Qxc -0.1135364E+01 3,-1 74 3 +1 -0.212442 -2.511556 -1.906812 Rho 0.3122090E-02 |GRAD(Rho)| 0.3980305E-17 GRAD(Rho)x -0.2521937E-17 GRAD(Rho)y -0.2379998E-17 GRAD(Rho)z 0.1954041E-17 Laplacian 0.1242953E-01 (-1/4)Del**2(Rho)) -0.3107383E-02 Diamond 0.1365870E-03 Metallicity 0.3697436E+00 Ellipticity -0.1554259E+01 Gb(Abramov) 0.2263078E-02 Vb(Abramov) -0.1418773E-02 Hb(Abramov) 0.8443052E-03 Ex_ueg -0.3370121E-03 Ec_ueg -0.6701598E-04 Delta_ex -0.5357956E-03 Delta_ec 0.3371860E-03 Delta_et -0.1611094E-02 Pxc 0.5028832E+01 Qxc -0.1589021E+01 3,+1 75 3 +1 -0.181516 -2.559236 1.939880 Rho 0.2873726E-02 |GRAD(Rho)| 0.4783368E-17 GRAD(Rho)x -0.4172503E-17 GRAD(Rho)y 0.9824439E-18 GRAD(Rho)z 0.2122647E-17 Laplacian 0.1134243E-01 (-1/4)Del**2(Rho)) -0.2835607E-02 Diamond 0.1123473E-03 Metallicity 0.3528982E+00 Ellipticity -0.1540959E+01 Gb(Abramov) 0.2057185E-02 Vb(Abramov) -0.1278763E-02 Hb(Abramov) 0.7784222E-03 Ex_ueg -0.3017488E-03 Ec_ueg -0.5659047E-04 Delta_ex -0.4829732E-03 Delta_ec 0.3105489E-03 Delta_et -0.1446090E-02 Pxc 0.5332149E+01 Qxc -0.1555224E+01 3,+1 76 3 +3 -0.168117 -2.275493 1.463425 Rho 0.2570439E-02 |GRAD(Rho)| 0.5674793E-17 GRAD(Rho)x -0.5427201E-17 GRAD(Rho)y -0.1611008E-17 GRAD(Rho)z -0.3916823E-18 Laplacian 0.1028420E-01 (-1/4)Del**2(Rho)) -0.2571050E-02 Diamond 0.6254744E-04 Metallicity 0.3231878E+00 Ellipticity -0.5604192E+00 Gb(Abramov) 0.1852522E-02 Vb(Abramov) -0.1133994E-02 Hb(Abramov) 0.7185281E-03 Ex_ueg -0.2600528E-03 Ec_ueg -0.4390564E-04 Delta_ex -0.3722407E-03 Delta_ec 0.1802485E-03 Delta_et -0.8599774E-03 Pxc 0.5922993E+01 Qxc -0.2065153E+01 3,+3 77 3 -1 0.072022 4.525150 -0.003935 Rho 0.2364132E+00 |GRAD(Rho)| 0.6083323E-14 GRAD(Rho)x -0.5734616E-15 GRAD(Rho)y 0.5924081E-15 GRAD(Rho)z -0.6027190E-14 Laplacian 0.8611932E+00 (-1/4)Del**2(Rho)) -0.2152983E+00 Diamond 0.2994279E+01 Metallicity 0.7232670E+01 Ellipticity 0.1293274E-02 Gb(Abramov) 0.4030624E+00 Vb(Abramov) -0.5908266E+00 Hb(Abramov) -0.1877641E+00 Ex_ueg -0.1079644E+00 Ec_ueg -0.1419152E-01 Delta_ex -0.1036589E+00 Delta_ec 0.1914020E-01 Delta_et -0.2651151E+00 Pxc 0.7607671E+01 Qxc -0.5415767E+01 3,-1 78 3 +1 -0.134966 2.210660 -2.002548 Rho 0.5400125E-02 |GRAD(Rho)| 0.1734328E-16 GRAD(Rho)x -0.1178430E-16 GRAD(Rho)y -0.7888876E-17 GRAD(Rho)z -0.9984253E-17 Laplacian 0.2240632E-01 (-1/4)Del**2(Rho)) -0.5601580E-02 Diamond 0.5834680E-03 Metallicity 0.5111900E+00 Ellipticity -0.3201852E+01 Gb(Abramov) 0.4211632E-02 Vb(Abramov) -0.2821684E-02 Hb(Abramov) 0.1389948E-02 Ex_ueg -0.6997187E-03 Ec_ueg -0.1641723E-03 Delta_ex -0.1134109E-02 Delta_ec 0.7114892E-03 Delta_et -0.3951908E-02 Pxc 0.4262101E+01 Qxc -0.1593993E+01 3,+1 79 3 +1 0.529056 1.536754 -0.830960 Rho 0.7925602E-02 |GRAD(Rho)| 0.5733819E-13 GRAD(Rho)x 0.4627882E-13 GRAD(Rho)y 0.3256482E-13 GRAD(Rho)z 0.9245059E-14 Laplacian 0.3297928E-01 (-1/4)Del**2(Rho)) -0.8244821E-02 Diamond 0.8446069E-03 Metallicity 0.6583028E+00 Ellipticity -0.1416104E+01 Gb(Abramov) 0.6401145E-02 Vb(Abramov) -0.4557470E-02 Hb(Abramov) 0.1843675E-02 Ex_ueg -0.1167064E-02 Ec_ueg -0.2749074E-03 Delta_ex -0.1503516E-02 Delta_ec 0.5133602E-03 Delta_et -0.3394696E-02 Pxc 0.4245299E+01 Qxc -0.2928773E+01 3,+1 80 3 +1 2.053281 0.045290 2.854274 Rho 0.1211169E-01 |GRAD(Rho)| 0.9397420E-17 GRAD(Rho)x 0.4544234E-17 GRAD(Rho)y -0.4426743E-17 GRAD(Rho)z -0.6932920E-17 Laplacian 0.5687402E-01 (-1/4)Del**2(Rho)) -0.1421850E-01 Diamond 0.2036195E-02 Metallicity 0.7739395E+00 Ellipticity -0.1215240E+01 Gb(Abramov) 0.1131305E-01 Vb(Abramov) -0.8407588E-02 Hb(Abramov) 0.2905458E-02 Ex_ueg -0.2054272E-02 Ec_ueg -0.4647273E-03 Delta_ex -0.2724844E-02 Delta_ec 0.5996630E-03 Delta_et -0.4612621E-02 Pxc 0.4420381E+01 Qxc -0.4543958E+01 3,+1 81 3 +1 2.044845 0.017673 -2.848230 Rho 0.1210431E-01 |GRAD(Rho)| 0.3419320E-12 GRAD(Rho)x 0.7609159E-13 GRAD(Rho)y -0.2955410E-12 GRAD(Rho)z 0.1542177E-12 Laplacian 0.5646063E-01 (-1/4)Del**2(Rho)) -0.1411516E-01 Diamond 0.2017442E-02 Metallicity 0.7788146E+00 Ellipticity -0.1219148E+01 Gb(Abramov) 0.1124229E-01 Vb(Abramov) -0.8369416E-02 Hb(Abramov) 0.2872870E-02 Ex_ueg -0.2052603E-02 Ec_ueg -0.4643864E-03 Delta_ex -0.2703946E-02 Delta_ec 0.5941528E-03 Delta_et -0.4570690E-02 Pxc 0.4420033E+01 Qxc -0.4550927E+01 3,+1 82 3 +1 1.330912 0.761551 -2.180380 Rho 0.2284885E-01 |GRAD(Rho)| 0.3261407E-15 GRAD(Rho)x -0.6992907E-17 GRAD(Rho)y -0.3160131E-15 GRAD(Rho)z -0.8034014E-16 Laplacian 0.8581629E-01 (-1/4)Del**2(Rho)) -0.2145407E-01 Diamond 0.9345296E-02 Metallicity 0.1477353E+01 Ellipticity -0.2908871E+01 Gb(Abramov) 0.1958525E-01 Vb(Abramov) -0.1771643E-01 Hb(Abramov) 0.1868820E-02 Ex_ueg -0.4788553E-02 Ec_ueg -0.9810293E-03 Delta_ex -0.5140973E-02 Delta_ec 0.1331308E-02 Delta_et -0.1153068E-01 Pxc 0.4881152E+01 Qxc -0.3861594E+01 3,+1 83 3 -1 1.691482 0.820916 -1.539994 Rho 0.3093221E-01 |GRAD(Rho)| 0.5951699E-16 GRAD(Rho)x 0.4000050E-16 GRAD(Rho)y 0.4315591E-16 GRAD(Rho)z -0.8933074E-17 Laplacian 0.1165452E+00 (-1/4)Del**2(Rho)) -0.2913630E-01 Diamond 0.2948195E-01 Metallicity 0.1802203E+01 Ellipticity 0.4535014E-01 Gb(Abramov) 0.2817578E-01 Vb(Abramov) -0.2721527E-01 Hb(Abramov) 0.9605136E-03 Ex_ueg -0.7171328E-02 Ec_ueg -0.1391791E-02 Delta_ex -0.8414946E-02 Delta_ec 0.3297739E-02 Delta_et -0.3055371E-01 Pxc 0.5152589E+01 Qxc -0.2551732E+01 3,-1 84 3 +1 1.706307 0.776491 0.033762 Rho 0.6301643E-02 |GRAD(Rho)| 0.1153942E-10 GRAD(Rho)x -0.1034224E-10 GRAD(Rho)y -0.5114950E-11 GRAD(Rho)z -0.1834466E-12 Laplacian 0.2494847E-01 (-1/4)Del**2(Rho)) -0.6237119E-02 Diamond 0.4873604E-03 Metallicity 0.5938255E+00 Ellipticity -0.1422739E+01 Gb(Abramov) 0.4775372E-02 Vb(Abramov) -0.3313626E-02 Hb(Abramov) 0.1461746E-02 Ex_ueg -0.8596535E-03 Ec_ueg -0.2033508E-03 Delta_ex -0.1088729E-02 Delta_ec 0.4118818E-03 Delta_et -0.2543584E-02 Pxc 0.4227441E+01 Qxc -0.2643305E+01 3,+1 85 3 -1 1.700632 0.804049 1.572117 Rho 0.2535785E-01 |GRAD(Rho)| 0.1483022E-14 GRAD(Rho)x -0.2985723E-15 GRAD(Rho)y -0.1452366E-14 GRAD(Rho)z -0.2905458E-16 Laplacian 0.1006420E+00 (-1/4)Del**2(Rho)) -0.2516049E-01 Diamond 0.1993021E-01 Metallicity 0.1498608E+01 Ellipticity 0.8507788E-01 Gb(Abramov) 0.2305794E-01 Vb(Abramov) -0.2095540E-01 Hb(Abramov) 0.2102544E-02 Ex_ueg -0.5502181E-02 Ec_ueg -0.1106748E-02 Delta_ex -0.6976660E-02 Delta_ec 0.2945927E-02 Delta_et -0.2582007E-01 Pxc 0.4971485E+01 Qxc -0.2368239E+01 3,-1 86 3 +1 1.393831 0.772104 2.131977 Rho 0.2031161E-01 |GRAD(Rho)| 0.1258420E-15 GRAD(Rho)x -0.4153805E-16 GRAD(Rho)y -0.1085851E-15 GRAD(Rho)z 0.4816720E-16 Laplacian 0.7615078E-01 (-1/4)Del**2(Rho)) -0.1903770E-01 Diamond 0.6715666E-02 Metallicity 0.1368294E+01 Ellipticity -0.2306327E+01 Gb(Abramov) 0.1703332E-01 Vb(Abramov) -0.1502895E-01 Hb(Abramov) 0.2004372E-02 Ex_ueg -0.4093023E-02 Ec_ueg -0.8556891E-03 Delta_ex -0.4372116E-02 Delta_ec 0.1095431E-02 Delta_et -0.9254959E-02 Pxc 0.4783306E+01 Qxc -0.3991228E+01 3,+1 87 3 -1 0.839828 0.739464 -3.466507 Rho 0.1441400E+00 |GRAD(Rho)| 0.1213312E-15 GRAD(Rho)x 0.2579046E-16 GRAD(Rho)y 0.5206881E-16 GRAD(Rho)z -0.1065127E-15 Laplacian 0.5716714E+00 (-1/4)Del**2(Rho)) -0.1429178E+00 Diamond 0.1105394E+01 Metallicity 0.4776474E+01 Ellipticity 0.4058786E-01 Gb(Abramov) 0.2090525E+00 Vb(Abramov) -0.2751871E+00 Hb(Abramov) -0.6613461E-01 Ex_ueg -0.5581672E-01 Ec_ueg -0.8069449E-02 Delta_ex -0.6080625E-01 Delta_ec 0.1466774E-01 Delta_et -0.1941937E+00 Pxc 0.6917042E+01 Qxc -0.4145577E+01 3,-1 88 3 +3 1.149092 1.486622 0.031075 Rho 0.4177761E-02 |GRAD(Rho)| 0.1085038E-12 GRAD(Rho)x -0.8582545E-13 GRAD(Rho)y 0.2632479E-13 GRAD(Rho)z -0.6094327E-13 Laplacian 0.1692869E-01 (-1/4)Del**2(Rho)) -0.4232172E-02 Diamond 0.1060147E-03 Metallicity 0.4411258E+00 Ellipticity -0.1201976E+00 Gb(Abramov) 0.3132601E-02 Vb(Abramov) -0.2033031E-02 Hb(Abramov) 0.1099571E-02 Ex_ueg -0.4969467E-03 Ec_ueg -0.1117019E-03 Delta_ex -0.5725707E-03 Delta_ec 0.1031104E-03 Delta_et -0.7071035E-03 Pxc 0.4448864E+01 Qxc -0.5552986E+01 3,+3 89 3 -1 0.832887 0.735953 3.473587 Rho 0.1406043E+00 |GRAD(Rho)| 0.7061393E-15 GRAD(Rho)x -0.1844634E-15 GRAD(Rho)y -0.6811365E-15 GRAD(Rho)z 0.2567357E-16 Laplacian 0.5587193E+00 (-1/4)Del**2(Rho)) -0.1396798E+00 Diamond 0.1049512E+01 Metallicity 0.4689039E+01 Ellipticity 0.3832267E-01 Gb(Abramov) 0.2022806E+00 Vb(Abramov) -0.2648813E+00 Hb(Abramov) -0.6260076E-01 Ex_ueg -0.5399869E-01 Ec_ueg -0.7844794E-02 Delta_ex -0.5907946E-01 Delta_ec 0.1444052E-01 Delta_et -0.1905200E+00 Pxc 0.6883379E+01 Qxc -0.4091228E+01 3,-1 90 3 +1 2.109020 -0.295014 -1.675949 Rho 0.2007477E-01 |GRAD(Rho)| 0.3777513E-16 GRAD(Rho)x -0.3288837E-16 GRAD(Rho)y 0.9121534E-17 GRAD(Rho)z 0.1618991E-16 Laplacian 0.7552394E-01 (-1/4)Del**2(Rho)) -0.1888099E-01 Diamond 0.6755121E-02 Metallicity 0.1352943E+01 Ellipticity -0.2401905E+01 Gb(Abramov) 0.1684481E-01 Vb(Abramov) -0.1480863E-01 Hb(Abramov) 0.2036178E-02 Ex_ueg -0.4029513E-02 Ec_ueg -0.8440863E-03 Delta_ex -0.4351754E-02 Delta_ec 0.1138778E-02 Delta_et -0.9571522E-02 Pxc 0.4773817E+01 Qxc -0.3821423E+01 3,+1 91 3 +1 1.332362 -0.818936 2.212150 Rho 0.2633237E-01 |GRAD(Rho)| 0.2173549E-13 GRAD(Rho)x 0.1585980E-13 GRAD(Rho)y -0.1485505E-13 GRAD(Rho)z -0.4749877E-15 Laplacian 0.1038785E+00 (-1/4)Del**2(Rho)) -0.2596963E-01 Diamond 0.1455702E-01 Metallicity 0.1546099E+01 Ellipticity -0.3723559E+01 Gb(Abramov) 0.2400502E-01 Vb(Abramov) -0.2204041E-01 Hb(Abramov) 0.1964608E-02 Ex_ueg -0.5785909E-02 Ec_ueg -0.1156028E-02 Delta_ex -0.6547405E-02 Delta_ec 0.1756220E-02 Delta_et -0.1570105E-01 Pxc 0.5004990E+01 Qxc -0.3728124E+01 3,+1 92 3 +1 2.105209 -0.065506 1.668131 Rho 0.2067766E-01 |GRAD(Rho)| 0.1809010E-13 GRAD(Rho)x -0.6243663E-14 GRAD(Rho)y 0.1679053E-13 GRAD(Rho)z -0.2519284E-14 Laplacian 0.8256883E-01 (-1/4)Del**2(Rho)) -0.2064221E-01 Diamond 0.9912349E-02 Metallicity 0.1300068E+01 Ellipticity -0.1175968E+02 Gb(Abramov) 0.1823418E-01 Vb(Abramov) -0.1582616E-01 Hb(Abramov) 0.2408024E-02 Ex_ueg -0.4191669E-02 Ec_ueg -0.8736556E-03 Delta_ex -0.5106123E-02 Delta_ec 0.1799430E-02 Delta_et -0.1501279E-01 Pxc 0.4797850E+01 Qxc -0.2837634E+01 3,+1 93 3 +3 2.327010 0.081262 0.015704 Rho 0.3736770E-02 |GRAD(Rho)| 0.5664753E-17 GRAD(Rho)x -0.3102582E-17 GRAD(Rho)y 0.3246410E-17 GRAD(Rho)z -0.3453148E-17 Laplacian 0.1537721E-01 (-1/4)Del**2(Rho)) -0.3844303E-02 Diamond 0.1026825E-03 Metallicity 0.4032393E+00 Ellipticity -0.3280276E+00 Gb(Abramov) 0.2821231E-02 Vb(Abramov) -0.1798159E-02 Hb(Abramov) 0.1023072E-02 Ex_ueg -0.4282660E-03 Ec_ueg -0.9296260E-04 Delta_ex -0.5322209E-03 Delta_ec 0.1423962E-03 Delta_et -0.8496260E-03 Pxc 0.4606863E+01 Qxc -0.3737606E+01 3,+3 94 3 +3 1.843618 -0.006078 -2.535048 Rho 0.1150606E-01 |GRAD(Rho)| 0.8231297E-15 GRAD(Rho)x -0.5255149E-15 GRAD(Rho)y 0.7177719E-17 GRAD(Rho)z 0.6335022E-15 Laplacian 0.5183886E-01 (-1/4)Del**2(Rho)) -0.1295972E-01 Diamond 0.1039654E-02 Metallicity 0.7795345E+00 Ellipticity -0.4604886E+00 Gb(Abramov) 0.1032357E-01 Vb(Abramov) -0.7687420E-02 Hb(Abramov) 0.2636148E-02 Ex_ueg -0.1918465E-02 Ec_ueg -0.4368152E-03 Delta_ex -0.2238501E-02 Delta_ec 0.1701719E-03 Delta_et -0.1657676E-02 Pxc 0.4391937E+01 Qxc -0.1315436E+02 3,+3 95 3 +3 1.840390 0.031825 2.527795 Rho 0.1142698E-01 |GRAD(Rho)| 0.1872192E-14 GRAD(Rho)x -0.1090928E-14 GRAD(Rho)y -0.2681996E-15 GRAD(Rho)z -0.1497681E-14 Laplacian 0.5174487E-01 (-1/4)Del**2(Rho)) -0.1293622E-01 Diamond 0.1007256E-02 Metallicity 0.7720259E+00 Ellipticity -0.4480617E+00 Gb(Abramov) 0.1028866E-01 Vb(Abramov) -0.7641104E-02 Hb(Abramov) 0.2647557E-02 Ex_ueg -0.1900906E-02 Ec_ueg -0.4331816E-03 Delta_ex -0.2223559E-02 Delta_ec 0.1585639E-03 Delta_et -0.1579067E-02 Pxc 0.4388242E+01 Qxc -0.1402311E+02 3,+3 96 3 -1 1.651078 -0.968223 1.520369 Rho 0.3832730E-01 |GRAD(Rho)| 0.7399219E-13 GRAD(Rho)x 0.1070371E-13 GRAD(Rho)y 0.7275210E-14 GRAD(Rho)z -0.7285153E-13 Laplacian 0.1468383E+00 (-1/4)Del**2(Rho)) -0.3670957E-01 Diamond 0.5182316E-01 Metallicity 0.2044659E+01 Ellipticity 0.4052048E-01 Gb(Abramov) 0.3698280E-01 Vb(Abramov) -0.3725604E-01 Hb(Abramov) -0.2732381E-03 Ex_ueg -0.9543977E-02 Ec_ueg -0.1780618E-02 Delta_ex -0.1130930E-01 Delta_ec 0.4379570E-02 Delta_et -0.4302534E-01 Pxc 0.5359924E+01 Qxc -0.2582285E+01 3,-1 97 3 -1 -2.762123 -0.920487 -1.654744 Rho 0.7016314E-01 |GRAD(Rho)| 0.7016927E-16 GRAD(Rho)x -0.3340529E-16 GRAD(Rho)y -0.6030197E-16 GRAD(Rho)z 0.1309524E-16 Laplacian 0.2910305E+00 (-1/4)Del**2(Rho)) -0.7275762E-01 Diamond 0.2351097E+00 Metallicity 0.2826114E+01 Ellipticity 0.4476391E-02 Gb(Abramov) 0.8277530E-01 Vb(Abramov) -0.9279299E-01 Hb(Abramov) -0.1001769E-01 Ex_ueg -0.2137291E-01 Ec_ueg -0.3556515E-02 Delta_ex -0.2615071E-01 Delta_ec 0.8711003E-02 Delta_et -0.1001348E+00 Pxc 0.6009511E+01 Qxc -0.3002032E+01 3,-1 98 3 -1 -2.761333 -0.929581 1.653580 Rho 0.7732363E-01 |GRAD(Rho)| 0.2699860E-15 GRAD(Rho)x -0.7498274E-16 GRAD(Rho)y 0.2590599E-15 GRAD(Rho)z 0.1256933E-16 Laplacian 0.3246972E+00 (-1/4)Del**2(Rho)) -0.8117431E-01 Diamond 0.2962298E+00 Metallicity 0.2978436E+01 Ellipticity 0.5623456E-02 Gb(Abramov) 0.9441162E-01 Vb(Abramov) -0.1076489E+00 Hb(Abramov) -0.1323731E-01 Ex_ueg -0.2432959E-01 Ec_ueg -0.3973296E-02 Delta_ex -0.2984249E-01 Delta_ec 0.9576772E-02 Delta_et -0.1126242E+00 Pxc 0.6123275E+01 Qxc -0.3116133E+01 3,-1 99 3 +1 -0.584327 0.822870 -1.565270 Rho 0.8280260E-02 |GRAD(Rho)| 0.1008938E-16 GRAD(Rho)x 0.5279511E-17 GRAD(Rho)y -0.4892276E-17 GRAD(Rho)z -0.7070219E-17 Laplacian 0.3407238E-01 (-1/4)Del**2(Rho)) -0.8518094E-02 Diamond 0.9060839E-03 Metallicity 0.6854105E+00 Ellipticity -0.1419985E+01 Gb(Abramov) 0.6651795E-02 Vb(Abramov) -0.4785495E-02 Hb(Abramov) 0.1866300E-02 Ex_ueg -0.1237211E-02 Ec_ueg -0.2906969E-03 Delta_ex -0.1560750E-02 Delta_ec 0.5134179E-03 Delta_et -0.3447219E-02 Pxc 0.4256017E+01 Qxc -0.3039921E+01 3,+1 100 3 +1 1.789679 2.527487 0.006785 Rho 0.1237155E-01 |GRAD(Rho)| 0.1239084E-13 GRAD(Rho)x 0.1076177E-13 GRAD(Rho)y -0.6140570E-14 GRAD(Rho)z 0.1023212E-15 Laplacian 0.6189902E-01 (-1/4)Del**2(Rho)) -0.1547475E-01 Diamond 0.2551749E-02 Metallicity 0.7367210E+00 Ellipticity -0.1250563E+01 Gb(Abramov) 0.1221660E-01 Vb(Abramov) -0.8958443E-02 Hb(Abramov) 0.3258155E-02 Ex_ueg -0.2113249E-02 Ec_ueg -0.4767482E-03 Delta_ex -0.3057637E-02 Delta_ec 0.7863570E-03 Delta_et -0.5953359E-02 Pxc 0.4432631E+01 Qxc -0.3888358E+01 3,+1 101 3 +1 -2.016796 2.901199 -0.006233 Rho 0.1256701E-01 |GRAD(Rho)| 0.1376363E-16 GRAD(Rho)x 0.1271866E-16 GRAD(Rho)y 0.4624741E-17 GRAD(Rho)z -0.2507028E-17 Laplacian 0.5894776E-01 (-1/4)Del**2(Rho)) -0.1473694E-01 Diamond 0.2134959E-02 Metallicity 0.7940823E+00 Ellipticity -0.1192200E+01 Gb(Abramov) 0.1177502E-01 Vb(Abramov) -0.8813095E-02 Hb(Abramov) 0.2961923E-02 Ex_ueg -0.2157881E-02 Ec_ueg -0.4858068E-03 Delta_ex -0.2829437E-02 Delta_ec 0.5800441E-03 Delta_et -0.4537294E-02 Pxc 0.4441850E+01 Qxc -0.4877969E+01 3,+1 102 3 -1 -1.986027 2.695794 -1.519348 Rho 0.1105051E+00 |GRAD(Rho)| 0.1266202E-11 GRAD(Rho)x -0.7442705E-12 GRAD(Rho)y -0.9459740E-12 GRAD(Rho)z -0.3930159E-12 Laplacian 0.4402967E+00 (-1/4)Del**2(Rho)) -0.1100742E+00 Diamond 0.6102752E+00 Metallicity 0.3982648E+01 Ellipticity 0.2113588E-01 Gb(Abramov) 0.1464472E+00 Vb(Abramov) -0.1828203E+00 Hb(Abramov) -0.3637306E-01 Ex_ueg -0.3916472E-01 Ec_ueg -0.5965696E-02 Delta_ex -0.4381397E-01 Delta_ec 0.1180838E-01 Delta_et -0.1492420E+00 Pxc 0.6564988E+01 Qxc -0.3710414E+01 3,-1 103 3 +3 -1.823816 2.592010 -0.016892 Rho 0.1199109E-01 |GRAD(Rho)| 0.1079609E-12 GRAD(Rho)x -0.6793572E-13 GRAD(Rho)y 0.8265099E-13 GRAD(Rho)z 0.1446079E-13 Laplacian 0.5403200E-01 (-1/4)Del**2(Rho)) -0.1350800E-01 Diamond 0.1101079E-02 Metallicity 0.8011738E+00 Ellipticity -0.5412811E+00 Gb(Abramov) 0.1080904E-01 Vb(Abramov) -0.8110085E-02 Hb(Abramov) 0.2698957E-02 Ex_ueg -0.2027045E-02 Ec_ueg -0.4591578E-03 Delta_ex -0.2348255E-02 Delta_ec 0.1529704E-03 Delta_et -0.1568384E-02 Pxc 0.4414702E+01 Qxc -0.1535104E+02 3,+3 104 3 -1 -1.972822 2.692919 1.502216 Rho 0.1220035E+00 |GRAD(Rho)| 0.1032806E-12 GRAD(Rho)x -0.8378702E-13 GRAD(Rho)y -0.5544380E-14 GRAD(Rho)z -0.6013220E-13 Laplacian 0.4881480E+00 (-1/4)Del**2(Rho)) -0.1220370E+00 Diamond 0.7701864E+00 Metallicity 0.4236579E+01 Ellipticity 0.1804933E-01 Gb(Abramov) 0.1675279E+00 Vb(Abramov) -0.2130188E+00 Hb(Abramov) -0.4549090E-01 Ex_ueg -0.4469044E-01 Ec_ueg -0.6676239E-02 Delta_ex -0.4984079E-01 Delta_ec 0.1298114E-01 Delta_et -0.1672636E+00 Pxc 0.6693955E+01 Qxc -0.3839477E+01 3,-1 105 3 +1 -0.602343 -0.831033 -1.534597 Rho 0.9637326E-02 |GRAD(Rho)| 0.1436157E-13 GRAD(Rho)x 0.1352164E-13 GRAD(Rho)y 0.2228835E-14 GRAD(Rho)z 0.4295619E-14 Laplacian 0.4158291E-01 (-1/4)Del**2(Rho)) -0.1039573E-01 Diamond 0.1385143E-02 Metallicity 0.7232568E+00 Ellipticity -0.1450399E+01 Gb(Abramov) 0.8183615E-02 Vb(Abramov) -0.5971503E-02 Hb(Abramov) 0.2212112E-02 Ex_ueg -0.1514702E-02 Ec_ueg -0.3516287E-03 Delta_ex -0.1988552E-02 Delta_ec 0.6441116E-03 Delta_et -0.4486682E-02 Pxc 0.4307674E+01 Qxc -0.3087278E+01 3,+1 106 3 +3 -1.162706 0.038168 -1.570745 Rho 0.5018943E-02 |GRAD(Rho)| 0.2296346E-15 GRAD(Rho)x -0.1281834E-15 GRAD(Rho)y 0.1453797E-17 GRAD(Rho)z 0.1905228E-15 Laplacian 0.2077125E-01 (-1/4)Del**2(Rho)) -0.5192812E-02 Diamond 0.1559636E-03 Metallicity 0.4880949E+00 Ellipticity -0.2797191E+00 Gb(Abramov) 0.3884306E-02 Vb(Abramov) -0.2575799E-02 Hb(Abramov) 0.1308506E-02 Ex_ueg -0.6346506E-03 Ec_ueg -0.1477281E-03 Delta_ex -0.7277706E-03 Delta_ec 0.1082546E-03 Delta_et -0.8091633E-03 Pxc 0.4296073E+01 Qxc -0.6722767E+01 3,+3 107 3 +3 -1.149530 -0.013561 1.575642 Rho 0.5170765E-02 |GRAD(Rho)| 0.5941093E-15 GRAD(Rho)x 0.4740220E-15 GRAD(Rho)y -0.1409125E-15 GRAD(Rho)z -0.3292608E-15 Laplacian 0.2151065E-01 (-1/4)Del**2(Rho)) -0.5377662E-02 Diamond 0.1664051E-03 Metallicity 0.4953182E+00 Ellipticity -0.2927656E+00 Gb(Abramov) 0.4029051E-02 Vb(Abramov) -0.2680439E-02 Hb(Abramov) 0.1348612E-02 Ex_ueg -0.6603763E-03 Ec_ueg -0.1542689E-03 Delta_ex -0.7582402E-03 Delta_ec 0.1092055E-03 Delta_et -0.8279067E-03 Pxc 0.4280683E+01 Qxc -0.6943243E+01 3,+3 108 3 +1 -1.189068 2.330969 0.680380 Rho 0.2510994E-01 |GRAD(Rho)| 0.2933275E-15 GRAD(Rho)x -0.1737442E-15 GRAD(Rho)y 0.1638812E-15 GRAD(Rho)z 0.1702848E-15 Laplacian 0.1002099E+00 (-1/4)Del**2(Rho)) -0.2505248E-01 Diamond 0.1409567E-01 Metallicity 0.1480625E+01 Ellipticity -0.5328742E+01 Gb(Abramov) 0.2288388E-01 Vb(Abramov) -0.2071528E-01 Hb(Abramov) 0.2168603E-02 Ex_ueg -0.5430577E-02 Ec_ueg -0.1094251E-02 Delta_ex -0.6338069E-02 Delta_ec 0.1875893E-02 Delta_et -0.1653650E-01 Pxc 0.4962825E+01 Qxc -0.3378694E+01 3,+1 109 3 +1 -1.759992 0.009232 2.458921 Rho 0.1171886E-01 |GRAD(Rho)| 0.8628864E-14 GRAD(Rho)x 0.1976207E-15 GRAD(Rho)y 0.8620178E-14 GRAD(Rho)z 0.3328291E-15 Laplacian 0.5728037E-01 (-1/4)Del**2(Rho)) -0.1432009E-01 Diamond 0.2230068E-02 Metallicity 0.7273604E+00 Ellipticity -0.1282199E+01 Gb(Abramov) 0.1128271E-01 Vb(Abramov) -0.8245321E-02 Hb(Abramov) 0.3037386E-02 Ex_ueg -0.1965919E-02 Ec_ueg -0.4466063E-03 Delta_ex -0.2800506E-02 Delta_ec 0.7478883E-03 Delta_et -0.5572041E-02 Pxc 0.4401906E+01 Qxc -0.3744551E+01 3,+1 110 3 -1 0.572215 3.245520 0.685506 Rho 0.1443629E+00 |GRAD(Rho)| 0.2612213E-13 GRAD(Rho)x -0.1761025E-13 GRAD(Rho)y 0.9885654E-14 GRAD(Rho)z -0.1656860E-13 Laplacian 0.6016081E+00 (-1/4)Del**2(Rho)) -0.1504020E+00 Diamond 0.1166504E+01 Metallicity 0.4550498E+01 Ellipticity 0.1425340E-01 Gb(Abramov) 0.2143354E+00 Vb(Abramov) -0.2782688E+00 Hb(Abramov) -0.6393336E-01 Ex_ueg -0.5593187E-01 Ec_ueg -0.8083643E-02 Delta_ex -0.6402581E-01 Delta_ec 0.1544986E-01 Delta_et -0.2046380E+00 Pxc 0.6919142E+01 Qxc -0.4144103E+01 3,-1 111 3 +1 -0.221716 -2.548802 1.155531 Rho 0.2669632E-02 |GRAD(Rho)| 0.1633078E-16 GRAD(Rho)x -0.1184229E-16 GRAD(Rho)y 0.9863310E-17 GRAD(Rho)z 0.5400896E-17 Laplacian 0.1053676E-01 (-1/4)Del**2(Rho)) -0.2634191E-02 Diamond 0.8174928E-04 Metallicity 0.3359889E+00 Ellipticity -0.1302327E+01 Gb(Abramov) 0.1903637E-02 Vb(Abramov) -0.1173083E-02 Hb(Abramov) 0.7305539E-03 Ex_ueg -0.2735187E-03 Ec_ueg -0.4804871E-04 Delta_ex -0.4151482E-03 Delta_ec 0.2394919E-03 Delta_et -0.1114190E-02 Pxc 0.5692529E+01 Qxc -0.1733454E+01 3,+1 112 3 +3 -0.193153 -2.239498 -1.512422 Rho 0.2899043E-02 |GRAD(Rho)| 0.1833607E-12 GRAD(Rho)x -0.7684599E-13 GRAD(Rho)y 0.7858873E-13 GRAD(Rho)z -0.1467639E-12 Laplacian 0.1165388E-01 (-1/4)Del**2(Rho)) -0.2913469E-02 Diamond 0.8448117E-04 Metallicity 0.3485248E+00 Ellipticity -0.6666909E+00 Gb(Abramov) 0.2111549E-02 Vb(Abramov) -0.1309628E-02 Hb(Abramov) 0.8019203E-03 Ex_ueg -0.3052984E-03 Ec_ueg -0.5765161E-04 Delta_ex -0.4349795E-03 Delta_ec 0.2082612E-03 Delta_et -0.1025235E-02 Pxc 0.5295574E+01 Qxc -0.2088625E+01 3,+3 113 3 +1 0.573045 1.509399 0.871331 Rho 0.7501091E-02 |GRAD(Rho)| 0.4481534E-13 GRAD(Rho)x 0.3947389E-13 GRAD(Rho)y 0.1054270E-13 GRAD(Rho)z 0.1841407E-13 Laplacian 0.3080705E-01 (-1/4)Del**2(Rho)) -0.7701763E-02 Diamond 0.7543838E-03 Metallicity 0.6429400E+00 Ellipticity -0.1440591E+01 Gb(Abramov) 0.5959804E-02 Vb(Abramov) -0.4217845E-02 Hb(Abramov) 0.1741959E-02 Ex_ueg -0.1084470E-02 Ec_ueg -0.2560834E-03 Delta_ex -0.1397641E-02 Delta_ec 0.5010540E-03 Delta_et -0.3248885E-02 Pxc 0.4234832E+01 Qxc -0.2789402E+01 3,+1 114 3 +3 0.067835 1.597474 1.647187 Rho 0.4374966E-02 |GRAD(Rho)| 0.5872777E-17 GRAD(Rho)x -0.4943560E-17 GRAD(Rho)y -0.1316789E-17 GRAD(Rho)z 0.2883885E-17 Laplacian 0.1818089E-01 (-1/4)Del**2(Rho)) -0.4545223E-02 Diamond 0.1442205E-03 Metallicity 0.4435635E+00 Ellipticity -0.3108667E+00 Gb(Abramov) 0.3366165E-02 Vb(Abramov) -0.2187106E-02 Hb(Abramov) 0.1179059E-02 Ex_ueg -0.5284672E-03 Ec_ueg -0.1201150E-03 Delta_ex -0.6480462E-03 Delta_ec 0.1562693E-03 Delta_et -0.9856586E-03 Pxc 0.4399676E+01 Qxc -0.4146985E+01 3,+3 115 3 +1 0.108190 2.043633 2.154321 Rho 0.5394131E-02 |GRAD(Rho)| 0.1033802E-15 GRAD(Rho)x 0.6687664E-16 GRAD(Rho)y -0.5099324E-16 GRAD(Rho)z 0.6012220E-16 Laplacian 0.2221688E-01 (-1/4)Del**2(Rho)) -0.5554220E-02 Diamond 0.6046377E-03 Metallicity 0.5145953E+00 Ellipticity -0.5078981E+01 Gb(Abramov) 0.4179176E-02 Vb(Abramov) -0.2804132E-02 Hb(Abramov) 0.1375044E-02 Ex_ueg -0.6986833E-03 Ec_ueg -0.1639131E-03 Delta_ex -0.1146908E-02 Delta_ec 0.7458789E-03 Delta_et -0.4125490E-02 Pxc 0.4262523E+01 Qxc -0.1537660E+01 3,+1 116 3 +3 -0.008920 1.632350 -1.620280 Rho 0.4369974E-02 |GRAD(Rho)| 0.1646843E-16 GRAD(Rho)x 0.6798737E-17 GRAD(Rho)y -0.1496271E-16 GRAD(Rho)z 0.1050539E-17 Laplacian 0.1816990E-01 (-1/4)Del**2(Rho)) -0.4542476E-02 Diamond 0.1439832E-03 Metallicity 0.4429880E+00 Ellipticity -0.3412540E+00 Gb(Abramov) 0.3363694E-02 Vb(Abramov) -0.2184913E-02 Hb(Abramov) 0.1178782E-02 Ex_ueg -0.5276632E-03 Ec_ueg -0.1199018E-03 Delta_ex -0.6475457E-03 Delta_ec 0.1563198E-03 Delta_et -0.9854946E-03 Pxc 0.4400796E+01 Qxc -0.4142441E+01 3,+3 117 3 -1 1.830098 2.370952 -1.554765 Rho 0.1314298E+00 |GRAD(Rho)| 0.3093896E-13 GRAD(Rho)x -0.2326169E-14 GRAD(Rho)y -0.2583057E-13 GRAD(Rho)z -0.1686978E-13 Laplacian 0.5554665E+00 (-1/4)Del**2(Rho)) -0.1388666E+00 Diamond 0.9607648E+00 Metallicity 0.4214815E+01 Ellipticity 0.9553439E-02 Gb(Abramov) 0.1901273E+00 Vb(Abramov) -0.2413879E+00 Hb(Abramov) -0.5126064E-01 Ex_ueg -0.4935263E-01 Ec_ueg -0.7265576E-02 Delta_ex -0.5776595E-01 Delta_ec 0.1456273E-01 Delta_et -0.1900660E+00 Pxc 0.6792665E+01 Qxc -0.3966697E+01 3,-1 118 3 -1 1.838300 2.385580 1.573776 Rho 0.1249998E+00 |GRAD(Rho)| 0.2006169E-15 GRAD(Rho)x 0.1742991E-15 GRAD(Rho)y -0.7477607E-16 GRAD(Rho)z 0.6538756E-16 Laplacian 0.5269971E+00 (-1/4)Del**2(Rho)) -0.1317493E+00 Diamond 0.8461375E+00 Metallicity 0.4086208E+01 Ellipticity 0.9086470E-02 Gb(Abramov) 0.1775587E+00 Vb(Abramov) -0.2233681E+00 Hb(Abramov) -0.4580939E-01 Ex_ueg -0.4615982E-01 Ec_ueg -0.6862919E-02 Delta_ex -0.5399460E-01 Delta_ec 0.1370861E-01 Delta_et -0.1769678E+00 Pxc 0.6725975E+01 Qxc -0.3938737E+01 3,-1 119 3 -1 3.239529 -2.326651 -2.214693 Rho 0.2199568E+00 |GRAD(Rho)| 0.4657259E-14 GRAD(Rho)x -0.3886811E-14 GRAD(Rho)y 0.1929744E-14 GRAD(Rho)z 0.1690813E-14 Laplacian 0.7937621E+00 (-1/4)Del**2(Rho)) -0.1984405E+00 Diamond 0.2542523E+01 Metallicity 0.6958014E+01 Ellipticity 0.1542297E-01 Gb(Abramov) 0.3624190E+00 Vb(Abramov) -0.5263974E+00 Hb(Abramov) -0.1639785E+00 Ex_ueg -0.9806221E-01 Ec_ueg -0.1306460E-01 Delta_ex -0.9384240E-01 Delta_ec 0.1814349E-01 Delta_et -0.2509505E+00 Pxc 0.7505947E+01 Qxc -0.5172236E+01 3,-1 120 3 -1 3.278757 -2.282706 2.212506 Rho 0.2304610E+00 |GRAD(Rho)| 0.2887779E-14 GRAD(Rho)x -0.1915677E-14 GRAD(Rho)y 0.1948853E-14 GRAD(Rho)z -0.9334981E-15 Laplacian 0.8415081E+00 (-1/4)Del**2(Rho)) -0.2103770E+00 Diamond 0.2841996E+01 Metallicity 0.7093881E+01 Ellipticity 0.1698287E-01 Gb(Abramov) 0.3889829E+00 Vb(Abramov) -0.5675889E+00 Hb(Abramov) -0.1786059E+00 Ex_ueg -0.1043554E+00 Ec_ueg -0.1378220E-01 Delta_ex -0.1006451E+00 Delta_ec 0.1888855E-01 Delta_et -0.2615407E+00 Pxc 0.7571752E+01 Qxc -0.5328366E+01 3,-1 121 3 -1 2.786844 -1.721375 -0.865890 Rho 0.1289930E+00 |GRAD(Rho)| 0.3578826E-13 GRAD(Rho)x -0.2615126E-13 GRAD(Rho)y -0.2222220E-14 GRAD(Rho)z 0.2433050E-13 Laplacian 0.5221554E+00 (-1/4)Del**2(Rho)) -0.1305388E+00 Diamond 0.8801943E+00 Metallicity 0.4346006E+01 Ellipticity 0.9298892E-02 Gb(Abramov) 0.1815797E+00 Vb(Abramov) -0.2326205E+00 Hb(Abramov) -0.5104081E-01 Ex_ueg -0.4813636E-01 Ec_ueg -0.7112654E-02 Delta_ex -0.5402230E-01 Delta_ec 0.1368832E-01 Delta_et -0.1779972E+00 Pxc 0.6767707E+01 Qxc -0.3946599E+01 3,-1 122 3 -1 2.794006 -1.713430 0.856394 Rho 0.1442047E+00 |GRAD(Rho)| 0.1602750E-13 GRAD(Rho)x -0.3391987E-14 GRAD(Rho)y 0.1414569E-14 GRAD(Rho)z -0.1560045E-13 Laplacian 0.5863941E+00 (-1/4)Del**2(Rho)) -0.1465985E+00 Diamond 0.1140974E+01 Metallicity 0.4660036E+01 Ellipticity 0.8460076E-02 Gb(Abramov) 0.2115914E+00 Vb(Abramov) -0.2765843E+00 Hb(Abramov) -0.6499288E-01 Ex_ueg -0.5585014E-01 Ec_ueg -0.8073569E-02 Delta_ex -0.6244733E-01 Delta_ec 0.1516568E-01 Delta_et -0.2010642E+00 Pxc 0.6917652E+01 Qxc -0.4117675E+01 3,-1 123 3 +1 1.723804 -2.805610 0.008027 Rho 0.7375670E-02 |GRAD(Rho)| 0.6970775E-16 GRAD(Rho)x 0.3216343E-16 GRAD(Rho)y -0.6181755E-16 GRAD(Rho)z 0.1809654E-17 Laplacian 0.3339641E-01 (-1/4)Del**2(Rho)) -0.8349102E-02 Diamond 0.1108124E-02 Metallicity 0.5766548E+00 Ellipticity -0.1831890E+01 Gb(Abramov) 0.6368493E-02 Vb(Abramov) -0.4387884E-02 Hb(Abramov) 0.1980609E-02 Ex_ueg -0.1060361E-02 Ec_ueg -0.2505378E-03 Delta_ex -0.1679699E-02 Delta_ec 0.8480813E-03 Delta_et -0.5250763E-02 Pxc 0.4232339E+01 Qxc -0.1980588E+01 3,+1 124 3 +1 -0.625274 -0.867033 1.524248 Rho 0.9405598E-02 |GRAD(Rho)| 0.8672298E-15 GRAD(Rho)x -0.1615291E-15 GRAD(Rho)y -0.1562372E-15 GRAD(Rho)z -0.8376072E-15 Laplacian 0.4028245E-01 (-1/4)Del**2(Rho)) -0.1007061E-01 Diamond 0.1298783E-02 Metallicity 0.7169265E+00 Ellipticity -0.1449220E+01 Gb(Abramov) 0.7917056E-02 Vb(Abramov) -0.5763500E-02 Hb(Abramov) 0.2153556E-02 Ex_ueg -0.1466336E-02 Ec_ueg -0.3411674E-03 Delta_ex -0.1914916E-02 Delta_ec 0.6244956E-03 Delta_et -0.4322040E-02 Pxc 0.4297997E+01 Qxc -0.3066340E+01 3,+1 125 3 +1 -0.545122 0.775761 1.580936 Rho 0.8829257E-02 |GRAD(Rho)| 0.8958921E-15 GRAD(Rho)x -0.7894027E-15 GRAD(Rho)y 0.4161071E-15 GRAD(Rho)z 0.7950380E-16 Laplacian 0.3678903E-01 (-1/4)Del**2(Rho)) -0.9197259E-02 Diamond 0.1043549E-02 Metallicity 0.7064830E+00 Ellipticity -0.1407981E+01 Gb(Abramov) 0.7214457E-02 Vb(Abramov) -0.5231655E-02 Hb(Abramov) 0.1982802E-02 Ex_ueg -0.1347775E-02 Ec_ueg -0.3152493E-03 Delta_ex -0.1701951E-02 Delta_ec 0.5356083E-03 Delta_et -0.3671242E-02 Pxc 0.4275265E+01 Qxc -0.3177604E+01 3,+1 126 3 +1 -1.343677 2.224881 -0.761288 Rho 0.2275737E-01 |GRAD(Rho)| 0.1331299E-16 GRAD(Rho)x -0.1195499E-16 GRAD(Rho)y -0.5836556E-17 GRAD(Rho)z -0.4985997E-18 Laplacian 0.8771537E-01 (-1/4)Del**2(Rho)) -0.2192884E-01 Diamond 0.9843082E-02 Metallicity 0.1435735E+01 Ellipticity -0.3018491E+01 Gb(Abramov) 0.1986656E-01 Vb(Abramov) -0.1780428E-01 Hb(Abramov) 0.2062281E-02 Ex_ueg -0.4763005E-02 Ec_ueg -0.9764776E-03 Delta_ex -0.5291376E-02 Delta_ec 0.1436301E-02 Delta_et -0.1240368E-01 Pxc 0.4877741E+01 Qxc -0.3684030E+01 3,+1 127 3 -1 -0.493258 2.382556 0.009998 Rho 0.3942765E-01 |GRAD(Rho)| 0.5821325E-16 GRAD(Rho)x -0.3235094E-16 GRAD(Rho)y -0.4829909E-16 GRAD(Rho)z 0.3065488E-17 Laplacian 0.1551852E+00 (-1/4)Del**2(Rho)) -0.3879631E-01 Diamond 0.5631938E-01 Metallicity 0.2028138E+01 Ellipticity 0.1410873E-01 Gb(Abramov) 0.3897825E-01 Vb(Abramov) -0.3916020E-01 Hb(Abramov) -0.1819442E-03 Ex_ueg -0.9911048E-02 Ec_ueg -0.1839401E-02 Delta_ex -0.1200067E-01 Delta_ec 0.4564468E-02 Delta_et -0.4517980E-01 Pxc 0.5388192E+01 Qxc -0.2629150E+01 3,-1 128 3 -1 0.871659 -0.674158 3.478535 Rho 0.1452848E+00 |GRAD(Rho)| 0.2899424E-15 GRAD(Rho)x -0.6684106E-16 GRAD(Rho)y 0.2591514E-15 GRAD(Rho)z 0.1115322E-15 Laplacian 0.5813462E+00 (-1/4)Del**2(Rho)) -0.1453365E+00 Diamond 0.1131098E+01 Metallicity 0.4759323E+01 Ellipticity 0.5557616E-01 Gb(Abramov) 0.2121750E+00 Vb(Abramov) -0.2790134E+00 Hb(Abramov) -0.6683841E-01 Ex_ueg -0.5640858E-01 Ec_ueg -0.8142358E-02 Delta_ex -0.6191624E-01 Delta_ec 0.1481768E-01 Delta_et -0.1962523E+00 Pxc 0.6927794E+01 Qxc -0.4178538E+01 3,-1 129 3 -1 0.864544 -0.676556 -3.490015 Rho 0.1503872E+00 |GRAD(Rho)| 0.2720335E-15 GRAD(Rho)x -0.6638028E-16 GRAD(Rho)y 0.2399068E-15 GRAD(Rho)z -0.1097297E-15 Laplacian 0.6012436E+00 (-1/4)Del**2(Rho)) -0.1503109E+00 Diamond 0.1219527E+01 Metallicity 0.4874324E+01 Ellipticity 0.5816297E-01 Gb(Abramov) 0.2223179E+00 Vb(Abramov) -0.2943250E+00 Hb(Abramov) -0.7200703E-01 Ex_ueg -0.5906539E-01 Ec_ueg -0.8468308E-02 Delta_ex -0.6458231E-01 Delta_ec 0.1519779E-01 Delta_et -0.2022754E+00 Pxc 0.6974875E+01 Qxc -0.4249452E+01 3,-1 130 3 -1 0.464859 -0.021876 -2.355605 Rho 0.4687395E-01 |GRAD(Rho)| 0.5535485E-14 GRAD(Rho)x -0.3642357E-14 GRAD(Rho)y 0.4132945E-14 GRAD(Rho)z -0.5418436E-15 Laplacian 0.1858667E+00 (-1/4)Del**2(Rho)) -0.4646669E-01 Diamond 0.8609010E-01 Metallicity 0.2259249E+01 Ellipticity 0.1120992E-01 Gb(Abramov) 0.4847442E-01 Vb(Abramov) -0.5048216E-01 Hb(Abramov) -0.2007737E-02 Ex_ueg -0.1248228E-01 Ec_ueg -0.2242820E-02 Delta_ex -0.1504300E-01 Delta_ec 0.5522812E-02 Delta_et -0.5725446E-01 Pxc 0.5565438E+01 Qxc -0.2723794E+01 3,-1 131 3 +1 3.021094 0.082904 0.102651 Rho 0.4663389E-02 |GRAD(Rho)| 0.1652111E-15 GRAD(Rho)x 0.1086223E-16 GRAD(Rho)y 0.3578546E-16 GRAD(Rho)z 0.1609227E-15 Laplacian 0.1884477E-01 (-1/4)Del**2(Rho)) -0.4711192E-02 Diamond 0.4360230E-03 Metallicity 0.4759834E+00 Ellipticity -0.5112823E+01 Gb(Abramov) 0.3514536E-02 Vb(Abramov) -0.2317880E-02 Hb(Abramov) 0.1196656E-02 Ex_ueg -0.5754231E-03 Ec_ueg -0.1324559E-03 Delta_ex -0.9610326E-03 Delta_ec 0.6586416E-03 Delta_et -0.3476274E-02 Pxc 0.4344260E+01 Qxc -0.1459113E+01 3,+1 132 3 -1 -2.110981 -2.919723 -1.686393 Rho 0.2330670E+00 |GRAD(Rho)| 0.6149532E-13 GRAD(Rho)x -0.3646633E-13 GRAD(Rho)y 0.4766803E-13 GRAD(Rho)z 0.1340298E-13 Laplacian 0.8903879E+00 (-1/4)Del**2(Rho)) -0.2225970E+00 Diamond 0.3006324E+01 Metallicity 0.6831280E+01 Ellipticity 0.1045092E-01 Gb(Abramov) 0.4018350E+00 Vb(Abramov) -0.5810730E+00 Hb(Abramov) -0.1792380E+00 Ex_ueg -0.1059318E+00 Ec_ueg -0.1396117E-01 Delta_ex -0.1065720E+00 Delta_ec 0.1950816E-01 Delta_et -0.2685104E+00 Pxc 0.7587597E+01 Qxc -0.5462946E+01 3,-1 133 3 -1 -2.116985 -2.909037 1.682300 Rho 0.2318203E+00 |GRAD(Rho)| 0.8633943E-14 GRAD(Rho)x -0.6330548E-14 GRAD(Rho)y -0.1211271E-14 GRAD(Rho)z -0.5744733E-14 Laplacian 0.8931949E+00 (-1/4)Del**2(Rho)) -0.2232987E+00 Diamond 0.2990596E+01 Metallicity 0.6749208E+01 Ellipticity 0.1214115E-01 Gb(Abramov) 0.4000474E+00 Vb(Abramov) -0.5767961E+00 Hb(Abramov) -0.1767487E+00 Ex_ueg -0.1051769E+00 Ec_ueg -0.1387551E-01 Delta_ex -0.1067262E+00 Delta_ec 0.1954285E-01 Delta_et -0.2686890E+00 Pxc 0.7580040E+01 Qxc -0.5461135E+01 3,-1 134 3 -1 -1.715021 1.530004 -0.849600 Rho 0.3426404E-01 |GRAD(Rho)| 0.8099042E-16 GRAD(Rho)x -0.1888693E-16 GRAD(Rho)y 0.6061235E-16 GRAD(Rho)z 0.5028792E-16 Laplacian 0.1378799E+00 (-1/4)Del**2(Rho)) -0.3446998E-01 Diamond 0.4259318E-01 Metallicity 0.1806522E+01 Ellipticity 0.2398030E-01 Gb(Abramov) 0.3335844E-01 Vb(Abramov) -0.3224691E-01 Hb(Abramov) 0.1111533E-02 Ex_ueg -0.8219332E-02 Ec_ueg -0.1565577E-02 Delta_ex -0.1038849E-01 Delta_ec 0.4218200E-02 Delta_et -0.4019435E-01 Pxc 0.5250035E+01 Qxc -0.2462778E+01 3,-1 135 3 -1 -1.702697 1.519994 0.846703 Rho 0.4322858E-01 |GRAD(Rho)| 0.4645037E-14 GRAD(Rho)x -0.3681407E-14 GRAD(Rho)y 0.1366104E-14 GRAD(Rho)z 0.2481405E-14 Laplacian 0.1699429E+00 (-1/4)Del**2(Rho)) -0.4248572E-01 Diamond 0.7016015E-01 Metallicity 0.2159046E+01 Ellipticity 0.2184965E-01 Gb(Abramov) 0.4361192E-01 Vb(Abramov) -0.4473811E-01 Hb(Abramov) -0.1126194E-02 Ex_ueg -0.1120503E-01 Ec_ueg -0.2044144E-02 Delta_ex -0.1346029E-01 Delta_ec 0.5019887E-02 Delta_et -0.5093028E-01 Pxc 0.5481528E+01 Qxc -0.2681393E+01 3,-1 136 3 -1 -1.807486 1.567912 2.355751 Rho 0.1343984E+00 |GRAD(Rho)| 0.1874360E-15 GRAD(Rho)x 0.2165694E-16 GRAD(Rho)y 0.1223793E-16 GRAD(Rho)z 0.1857780E-15 Laplacian 0.5578112E+00 (-1/4)Del**2(Rho)) -0.1394528E+00 Diamond 0.9981233E+00 Metallicity 0.4356285E+01 Ellipticity 0.8335588E-02 Gb(Abramov) 0.1942179E+00 Vb(Abramov) -0.2489830E+00 Hb(Abramov) -0.5476510E-01 Ex_ueg -0.5084451E-01 Ec_ueg -0.7452400E-02 Delta_ex -0.5840535E-01 Delta_ec 0.1469133E-01 Delta_et -0.1927115E+00 Pxc 0.6822568E+01 Qxc -0.3975497E+01 3,-1 137 3 -1 -1.821847 1.584356 -2.386551 Rho 0.1318189E+00 |GRAD(Rho)| 0.2326786E-12 GRAD(Rho)x -0.1760765E-12 GRAD(Rho)y 0.5574784E-13 GRAD(Rho)z 0.1415223E-12 Laplacian 0.5440482E+00 (-1/4)Del**2(Rho)) -0.1360120E+00 Diamond 0.9379636E+00 Metallicity 0.4324529E+01 Ellipticity 0.1132643E-01 Gb(Abramov) 0.1887060E+00 Vb(Abramov) -0.2414000E+00 Hb(Abramov) -0.5269400E-01 Ex_ueg -0.4954755E-01 Ec_ueg -0.7290032E-02 Delta_ex -0.5654316E-01 Delta_ec 0.1411805E-01 Delta_et -0.1840925E+00 Pxc 0.6796616E+01 Qxc -0.4005025E+01 3,-1 138 3 -1 -0.569513 -0.681578 3.203211 Rho 0.1487242E+00 |GRAD(Rho)| 0.9286661E-16 GRAD(Rho)x 0.1863472E-16 GRAD(Rho)y 0.8429672E-16 GRAD(Rho)z -0.3422013E-16 Laplacian 0.6326672E+00 (-1/4)Del**2(Rho)) -0.1581668E+00 Diamond 0.1264598E+01 Metallicity 0.4547162E+01 Ellipticity 0.2031997E-01 Gb(Abramov) 0.2253129E+00 Vb(Abramov) -0.2924590E+00 Hb(Abramov) -0.6714608E-01 Ex_ueg -0.5819609E-01 Ec_ueg -0.8361893E-02 Delta_ex -0.6775557E-01 Delta_ec 0.1600684E-01 Delta_et -0.2126473E+00 Pxc 0.6959679E+01 Qxc -0.4232912E+01 3,-1 139 3 -1 -0.051956 0.012440 -4.474103 Rho 0.2383190E+00 |GRAD(Rho)| 0.3308722E-14 GRAD(Rho)x 0.8284660E-15 GRAD(Rho)y 0.1131954E-15 GRAD(Rho)z 0.3201324E-14 Laplacian 0.8788061E+00 (-1/4)Del**2(Rho)) -0.2197015E+00 Diamond 0.3075336E+01 Metallicity 0.7183201E+01 Ellipticity 0.1307796E-02 Gb(Abramov) 0.4094944E+00 Vb(Abramov) -0.5992873E+00 Hb(Abramov) -0.1897929E+00 Ex_ueg -0.1091265E+00 Ec_ueg -0.1432299E-01 Delta_ex -0.1059477E+00 Delta_ec 0.1939099E-01 Delta_et -0.2682572E+00 Pxc 0.7618971E+01 Qxc -0.5463759E+01 3,-1 140 3 -1 -0.568221 -0.663988 -3.197871 Rho 0.1464381E+00 |GRAD(Rho)| 0.2590800E-12 GRAD(Rho)x -0.2582287E-12 GRAD(Rho)y -0.1286128E-13 GRAD(Rho)z -0.1658297E-13 Laplacian 0.6231987E+00 (-1/4)Del**2(Rho)) -0.1557997E+00 Diamond 0.1223732E+01 Metallicity 0.4498595E+01 Ellipticity 0.1686286E-01 Gb(Abramov) 0.2206797E+00 Vb(Abramov) -0.2855598E+00 Hb(Abramov) -0.6488005E-01 Ex_ueg -0.5700644E-01 Ec_ueg -0.8215894E-02 Delta_ex -0.6649870E-01 Delta_ec 0.1584671E-01 Delta_et -0.2101038E+00 Pxc 0.6938556E+01 Qxc -0.4196373E+01 3,-1 141 3 -1 -0.056212 0.003220 4.470282 Rho 0.2384392E+00 |GRAD(Rho)| 0.2082865E-14 GRAD(Rho)x 0.1575346E-15 GRAD(Rho)y 0.1866861E-17 GRAD(Rho)z -0.2076898E-14 Laplacian 0.8790453E+00 (-1/4)Del**2(Rho)) -0.2197613E+00 Diamond 0.3077488E+01 Metallicity 0.7187282E+01 Ellipticity 0.1159298E-02 Gb(Abramov) 0.4097554E+00 Vb(Abramov) -0.5997494E+00 Hb(Abramov) -0.1899940E+00 Ex_ueg -0.1091998E+00 Ec_ueg -0.1433129E-01 Delta_ex -0.1059875E+00 Delta_ec 0.1938809E-01 Delta_et -0.2681985E+00 Pxc 0.7619680E+01 Qxc -0.5466632E+01 3,-1 142 3 -1 -0.562066 0.725333 -3.226967 Rho 0.1409731E+00 |GRAD(Rho)| 0.3770149E-14 GRAD(Rho)x 0.2265305E-14 GRAD(Rho)y -0.2658382E-14 GRAD(Rho)z -0.1419654E-14 Laplacian 0.5872293E+00 (-1/4)Del**2(Rho)) -0.1468073E+00 Diamond 0.1103890E+01 Metallicity 0.4480905E+01 Ellipticity 0.1235135E-01 Gb(Abramov) 0.2075098E+00 Vb(Abramov) -0.2682123E+00 Hb(Abramov) -0.6070251E-01 Ex_ueg -0.5418761E-01 Ec_ueg -0.7868189E-02 Delta_ex -0.6210506E-01 Delta_ec 0.1511645E-01 Delta_et -0.1994089E+00 Pxc 0.6886922E+01 Qxc -0.4108441E+01 3,-1 143 3 -1 -0.411776 0.466501 0.011930 Rho 0.1957570E+00 |GRAD(Rho)| 0.7702928E-15 GRAD(Rho)x -0.4891893E-15 GRAD(Rho)y 0.5790173E-15 GRAD(Rho)z 0.1370542E-15 Laplacian 0.6494059E+00 (-1/4)Del**2(Rho)) -0.1623515E+00 Diamond 0.2001904E+01 Metallicity 0.7003134E+01 Ellipticity 0.7656985E-02 Gb(Abramov) 0.2977292E+00 Vb(Abramov) -0.4331069E+00 Hb(Abramov) -0.1353777E+00 Ex_ueg -0.8394757E-01 Ec_ueg -0.1143458E-01 Delta_ex -0.7586902E-01 Delta_ec 0.1774756E-01 Delta_et -0.2514831E+00 Pxc 0.7341555E+01 Qxc -0.4274900E+01 3,-1 144 3 -1 -0.563616 0.710629 3.212454 Rho 0.1462218E+00 |GRAD(Rho)| 0.2475368E-15 GRAD(Rho)x -0.1552849E-15 GRAD(Rho)y 0.1209156E-15 GRAD(Rho)z -0.1501349E-15 Laplacian 0.6103695E+00 (-1/4)Del**2(Rho)) -0.1525924E+00 Diamond 0.1196404E+01 Metallicity 0.4581845E+01 Ellipticity 0.1225688E-01 Gb(Abramov) 0.2182540E+00 Vb(Abramov) -0.2839156E+00 Hb(Abramov) -0.6566164E-01 Ex_ueg -0.5689417E-01 Ec_ueg -0.8202093E-02 Delta_ex -0.6510605E-01 Delta_ec 0.1552598E-01 Delta_et -0.2058076E+00 Pxc 0.6936543E+01 Qxc -0.4193361E+01 3,-1 145 3 -1 0.461871 -0.052198 2.353965 Rho 0.4692997E-01 |GRAD(Rho)| 0.2984155E-13 GRAD(Rho)x -0.7856828E-14 GRAD(Rho)y 0.1670105E-14 GRAD(Rho)z 0.2874020E-13 Laplacian 0.1856688E+00 (-1/4)Del**2(Rho)) -0.4641719E-01 Diamond 0.8604544E-01 Metallicity 0.2266165E+01 Ellipticity 0.1320162E-01 Gb(Abramov) 0.4847630E-01 Vb(Abramov) -0.5053540E-01 Hb(Abramov) -0.2059102E-02 Ex_ueg -0.1250217E-01 Ec_ueg -0.2245890E-02 Delta_ex -0.1502713E-01 Delta_ec 0.5509116E-02 Delta_et -0.5712864E-01 Pxc 0.5566689E+01 Qxc -0.2727685E+01 3,-1 146 3 -1 2.961539 -0.834117 -1.980670 Rho 0.7606556E-01 |GRAD(Rho)| 0.2042784E-15 GRAD(Rho)x 0.8248746E-16 GRAD(Rho)y 0.1837519E-15 GRAD(Rho)z -0.3406894E-16 Laplacian 0.3100990E+00 (-1/4)Del**2(Rho)) -0.7752476E-01 Diamond 0.2746216E+00 Metallicity 0.3034540E+01 Ellipticity 0.1394002E-02 Gb(Abramov) 0.9089184E-01 Vb(Abramov) -0.1042589E+00 Hb(Abramov) -0.1336708E-01 Ex_ueg -0.2380323E-01 Ec_ueg -0.3899688E-02 Delta_ex -0.2832912E-01 Delta_ec 0.9057303E-02 Delta_et -0.1060294E+00 Pxc 0.6103880E+01 Qxc -0.3127766E+01 3,-1 147 3 -1 2.965619 -0.810978 1.973010 Rho 0.7934038E-01 |GRAD(Rho)| 0.8525736E-16 GRAD(Rho)x 0.3453692E-16 GRAD(Rho)y -0.7581961E-16 GRAD(Rho)z -0.1809432E-16 Laplacian 0.3203523E+00 (-1/4)Del**2(Rho)) -0.8008808E-01 Diamond 0.2990957E+00 Metallicity 0.3151198E+01 Ellipticity 0.8628133E-03 Gb(Abramov) 0.9545429E-01 Vb(Abramov) -0.1108205E+00 Hb(Abramov) -0.1536621E-01 Ex_ueg -0.2517932E-01 Ec_ueg -0.4091620E-02 Delta_ex -0.2955757E-01 Delta_ec 0.9297621E-02 Delta_et -0.1098979E+00 Pxc 0.6153876E+01 Qxc -0.3179046E+01 3,-1 148 3 -1 2.835506 1.760418 0.895006 Rho 0.1246874E+00 |GRAD(Rho)| 0.4735495E-13 GRAD(Rho)x -0.1635237E-13 GRAD(Rho)y 0.4439118E-13 GRAD(Rho)z -0.2124684E-14 Laplacian 0.5194276E+00 (-1/4)Del**2(Rho)) -0.1298569E+00 Diamond 0.8351608E+00 Metallicity 0.4128503E+01 Ellipticity 0.1569066E-01 Gb(Abramov) 0.1759237E+00 Vb(Abramov) -0.2219905E+00 Hb(Abramov) -0.4606679E-01 Ex_ueg -0.4600608E-01 Ec_ueg -0.6843429E-02 Delta_ex -0.5323391E-01 Delta_ec 0.1360353E-01 Delta_et -0.1756882E+00 Pxc 0.6722666E+01 Qxc -0.3913244E+01 3,-1 149 3 -1 3.226774 2.339429 -2.227965 Rho 0.2375822E+00 |GRAD(Rho)| 0.6845971E-12 GRAD(Rho)x -0.4579788E-12 GRAD(Rho)y -0.4384589E-12 GRAD(Rho)z 0.2582293E-12 Laplacian 0.8543432E+00 (-1/4)Del**2(Rho)) -0.2135858E+00 Diamond 0.2997284E+01 Metallicity 0.7350845E+01 Ellipticity 0.6709580E-02 Gb(Abramov) 0.4040632E+00 Vb(Abramov) -0.5945406E+00 Hb(Abramov) -0.1904774E+00 Ex_ueg -0.1086768E+00 Ec_ueg -0.1427214E-01 Delta_ex -0.1030160E+00 Delta_ec 0.1904840E-01 Delta_et -0.2642762E+00 Pxc 0.7614614E+01 Qxc -0.5408118E+01 3,-1 150 3 -1 2.839590 1.747081 -0.866042 Rho 0.1469254E+00 |GRAD(Rho)| 0.6974355E-15 GRAD(Rho)x -0.4959412E-15 GRAD(Rho)y 0.1724258E-15 GRAD(Rho)z -0.4590512E-15 Laplacian 0.6125504E+00 (-1/4)Del**2(Rho)) -0.1531376E+00 Diamond 0.1211700E+01 Metallicity 0.4602208E+01 Ellipticity 0.1948190E-01 Gb(Abramov) 0.2195536E+00 Vb(Abramov) -0.2859696E+00 Hb(Abramov) -0.6641597E-01 Ex_ueg -0.5725951E-01 Ec_ueg -0.8246988E-02 Delta_ex -0.6545740E-01 Delta_ec 0.1563753E-01 Delta_et -0.2075952E+00 Pxc 0.6943082E+01 Qxc -0.4185918E+01 3,-1 151 3 -1 3.218086 2.361676 2.255328 Rho 0.2269365E+00 |GRAD(Rho)| 0.2987939E-13 GRAD(Rho)x -0.2267663E-14 GRAD(Rho)y 0.2972926E-13 GRAD(Rho)z 0.1951130E-14 Laplacian 0.7984255E+00 (-1/4)Del**2(Rho)) -0.1996064E+00 Diamond 0.2666757E+01 Metallicity 0.7287063E+01 Ellipticity 0.7141479E-02 Gb(Abramov) 0.3754950E+00 Vb(Abramov) -0.5513835E+00 Hb(Abramov) -0.1758886E+00 Ex_ueg -0.1022329E+00 Ec_ueg -0.1354074E-01 Delta_ex -0.9522472E-01 Delta_ec 0.1820435E-01 Delta_et -0.2527090E+00 Pxc 0.7550022E+01 Qxc -0.5230877E+01 3,-1 152 3 -1 -0.828609 3.513046 0.711249 Rho 0.1505261E+00 |GRAD(Rho)| 0.1908822E-15 GRAD(Rho)x -0.5261091E-16 GRAD(Rho)y -0.1955121E-16 GRAD(Rho)z 0.1824441E-15 Laplacian 0.5937357E+00 (-1/4)Del**2(Rho)) -0.1484339E+00 Diamond 0.1209773E+01 Metallicity 0.4943558E+01 Ellipticity 0.3801447E-01 Gb(Abramov) 0.2212546E+00 Vb(Abramov) -0.2940752E+00 Hb(Abramov) -0.7282064E-01 Ex_ueg -0.5913811E-01 Ec_ueg -0.8477200E-02 Delta_ex -0.6383138E-01 Delta_ec 0.1507785E-01 Delta_et -0.2008750E+00 Pxc 0.6976137E+01 Qxc -0.4233453E+01 3,-1 153 3 -1 -0.832691 3.519538 -0.709721 Rho 0.1546650E+00 |GRAD(Rho)| 0.6041068E-14 GRAD(Rho)x 0.4654290E-14 GRAD(Rho)y 0.9287920E-15 GRAD(Rho)z 0.3737570E-14 Laplacian 0.6103296E+00 (-1/4)Del**2(Rho)) -0.1525824E+00 Diamond 0.1284285E+01 Metallicity 0.5031554E+01 Ellipticity 0.4067806E-01 Gb(Abramov) 0.2296760E+00 Vb(Abramov) -0.3067696E+00 Hb(Abramov) -0.7709362E-01 Ex_ueg -0.6131609E-01 Ec_ueg -0.8742806E-02 Delta_ex -0.6605056E-01 Delta_ec 0.1538652E-01 Delta_et -0.2057285E+00 Pxc 0.7013318E+01 Qxc -0.4292754E+01 3,-1 154 3 +1 1.382637 -0.844837 -2.164251 Rho 0.2368325E-01 |GRAD(Rho)| 0.1271449E-16 GRAD(Rho)x 0.1223969E-16 GRAD(Rho)y -0.3250884E-17 GRAD(Rho)z 0.1131328E-17 Laplacian 0.9178856E-01 (-1/4)Del**2(Rho)) -0.2294714E-01 Diamond 0.1013683E-01 Metallicity 0.1466313E+01 Ellipticity -0.2454444E+01 Gb(Abramov) 0.2090604E-01 Vb(Abramov) -0.1886495E-01 Hb(Abramov) 0.2041097E-02 Ex_ueg -0.5023119E-02 Ec_ueg -0.1022649E-02 Delta_ex -0.5509490E-02 Delta_ec 0.1347801E-02 Delta_et -0.1179665E-01 Pxc 0.4911870E+01 Qxc -0.4087761E+01 3,+1 155 3 -1 1.650312 -0.949925 -1.529672 Rho 0.3272510E-01 |GRAD(Rho)| 0.5130799E-16 GRAD(Rho)x -0.4842498E-16 GRAD(Rho)y 0.1034619E-16 GRAD(Rho)z 0.1343455E-16 Laplacian 0.1297699E+00 (-1/4)Del**2(Rho)) -0.3244247E-01 Diamond 0.3825102E-01 Metallicity 0.1777901E+01 Ellipticity 0.4254700E-01 Gb(Abramov) 0.3124156E-01 Vb(Abramov) -0.3004066E-01 Hb(Abramov) 0.1200905E-02 Ex_ueg -0.7730835E-02 Ec_ueg -0.1485009E-02 Delta_ex -0.9713673E-02 Delta_ec 0.4051022E-02 Delta_et -0.3811330E-01 Pxc 0.5205918E+01 Qxc -0.2397833E+01 3,-1 156 3 -1 1.992555 1.540171 -2.683111 Rho 0.1345761E+00 |GRAD(Rho)| 0.4929079E-13 GRAD(Rho)x 0.1351920E-13 GRAD(Rho)y -0.3220993E-13 GRAD(Rho)z -0.3477547E-13 Laplacian 0.5322193E+00 (-1/4)Del**2(Rho)) -0.1330548E+00 Diamond 0.9512491E+00 Metallicity 0.4575823E+01 Ellipticity 0.2340689E-01 Gb(Abramov) 0.1901758E+00 Vb(Abramov) -0.2472967E+00 Hb(Abramov) -0.5712096E-01 Ex_ueg -0.5093416E-01 Ec_ueg -0.7463600E-02 Delta_ex -0.5571370E-01 Delta_ec 0.1395955E-01 Delta_et -0.1830474E+00 Pxc 0.6824341E+01 Qxc -0.3991082E+01 3,-1 157 3 -1 1.463713 -3.081124 0.011976 Rho 0.7785989E-02 |GRAD(Rho)| 0.3643029E-16 GRAD(Rho)x -0.2586119E-16 GRAD(Rho)y 0.2353071E-16 GRAD(Rho)z -0.1023088E-16 Laplacian 0.3214383E-01 (-1/4)Del**2(Rho)) -0.8035956E-02 Diamond 0.1790463E-02 Metallicity 0.6557001E+00 Ellipticity 0.4888679E+00 Gb(Abramov) 0.6235500E-02 Vb(Abramov) -0.4435045E-02 Hb(Abramov) 0.1800456E-02 Ex_ueg -0.1139734E-02 Ec_ueg -0.2687075E-03 Delta_ex -0.1966747E-02 Delta_ec 0.1406850E-02 Delta_et -0.8574550E-02 Pxc 0.4241541E+01 Qxc -0.1397979E+01 3,-1 158 3 -1 -0.466803 -0.569678 -0.006724 Rho 0.2040452E+00 |GRAD(Rho)| 0.9027812E-16 GRAD(Rho)x 0.6715470E-16 GRAD(Rho)y 0.6009221E-16 GRAD(Rho)z -0.5413958E-17 Laplacian 0.7335113E+00 (-1/4)Del**2(Rho)) -0.1833778E+00 Diamond 0.2350082E+01 Metallicity 0.6643806E+01 Ellipticity 0.3802153E-01 Gb(Abramov) 0.3253064E+00 Vb(Abramov) -0.4672349E+00 Hb(Abramov) -0.1419285E+00 Ex_ueg -0.8871973E-01 Ec_ueg -0.1198918E-01 Delta_ex -0.8640591E-01 Delta_ec 0.1952177E-01 Delta_et -0.2771302E+00 Pxc 0.7399985E+01 Qxc -0.4426131E+01 3,-1 159 3 -1 0.569937 3.239298 -0.688985 Rho 0.1462010E+00 |GRAD(Rho)| 0.2636302E-15 GRAD(Rho)x 0.4433032E-16 GRAD(Rho)y 0.1813870E-15 GRAD(Rho)z -0.1861033E-15 Laplacian 0.6106388E+00 (-1/4)Del**2(Rho)) -0.1526597E+00 Diamond 0.1201805E+01 Metallicity 0.4578740E+01 Ellipticity 0.1482580E-01 Gb(Abramov) 0.2182713E+00 Vb(Abramov) -0.2838829E+00 Hb(Abramov) -0.6561162E-01 Ex_ueg -0.5688339E-01 Ec_ueg -0.8200768E-02 Delta_ex -0.6518484E-01 Delta_ec 0.1562682E-01 Delta_et -0.2073485E+00 Pxc 0.6936349E+01 Qxc -0.4171344E+01 3,-1 160 3 -1 -2.994530 2.047485 0.790063 Rho 0.1451978E+00 |GRAD(Rho)| 0.6816987E-12 GRAD(Rho)x 0.2774466E-12 GRAD(Rho)y -0.5979150E-13 GRAD(Rho)z 0.6198076E-12 Laplacian 0.5720169E+00 (-1/4)Del**2(Rho)) -0.1430042E+00 Diamond 0.1119907E+01 Metallicity 0.4832121E+01 Ellipticity 0.4218044E-01 Gb(Abramov) 0.2105051E+00 Vb(Abramov) -0.2780060E+00 Hb(Abramov) -0.6750088E-01 Ex_ueg -0.5636358E-01 Ec_ueg -0.8136818E-02 Delta_ex -0.6099443E-01 Delta_ec 0.1472617E-01 Delta_et -0.1953416E+00 Pxc 0.6926980E+01 Qxc -0.4141907E+01 3,-1 161 3 -1 -3.216823 2.215948 -2.324940 Rho 0.2241271E+00 |GRAD(Rho)| 0.1283879E-15 GRAD(Rho)x 0.4212125E-16 GRAD(Rho)y 0.1212409E-15 GRAD(Rho)z 0.3144186E-17 Laplacian 0.8037681E+00 (-1/4)Del**2(Rho)) -0.2009420E+00 Diamond 0.2629775E+01 Metallicity 0.7089895E+01 Ellipticity 0.7627030E-02 Gb(Abramov) 0.3714043E+00 Vb(Abramov) -0.5418666E+00 Hb(Abramov) -0.1704623E+00 Ex_ueg -0.1005490E+00 Ec_ueg -0.1334877E-01 Delta_ex -0.9546664E-01 Delta_ec 0.1823642E-01 Delta_et -0.2523582E+00 Pxc 0.7532451E+01 Qxc -0.5234944E+01 3,-1 162 3 -1 -3.208032 2.205727 2.293131 Rho 0.2347128E+00 |GRAD(Rho)| 0.6773525E-14 GRAD(Rho)x -0.5305435E-14 GRAD(Rho)y -0.3372465E-14 GRAD(Rho)z 0.2521800E-14 Laplacian 0.8619541E+00 (-1/4)Del**2(Rho)) -0.2154885E+00 Diamond 0.2963182E+01 Metallicity 0.7139872E+01 Ellipticity 0.7250934E-02 Gb(Abramov) 0.4000857E+00 Vb(Abramov) -0.5846830E+00 Hb(Abramov) -0.1845972E+00 Ex_ueg -0.1069303E+00 Ec_ueg -0.1407439E-01 Delta_ex -0.1035126E+00 Delta_ec 0.1912118E-01 Delta_et -0.2644476E+00 Pxc 0.7597508E+01 Qxc -0.5413506E+01 3,-1 163 3 -1 0.294068 -0.090931 0.514532 Rho 0.1977966E+00 |GRAD(Rho)| 0.7633308E-16 GRAD(Rho)x -0.6907507E-16 GRAD(Rho)y 0.3051221E-17 GRAD(Rho)z -0.3234291E-16 Laplacian 0.6645819E+00 (-1/4)Del**2(Rho)) -0.1661455E+00 Diamond 0.2084854E+01 Metallicity 0.6962462E+01 Ellipticity 0.8789934E-02 Gb(Abramov) 0.3035606E+00 Vb(Abramov) -0.4409757E+00 Hb(Abramov) -0.1374151E+00 Ex_ueg -0.8511582E-01 Ec_ueg -0.1157070E-01 Delta_ex -0.7791395E-01 Delta_ec 0.1824381E-01 Delta_et -0.2592432E+00 Pxc 0.7356150E+01 Qxc -0.4270706E+01 3,-1 164 3 -1 0.292982 -0.067699 -0.513034 Rho 0.1980300E+00 |GRAD(Rho)| 0.3563620E-11 GRAD(Rho)x -0.1992035E-11 GRAD(Rho)y 0.7399173E-13 GRAD(Rho)z 0.2953931E-11 Laplacian 0.6658641E+00 (-1/4)Del**2(Rho)) -0.1664660E+00 Diamond 0.2092714E+01 Metallicity 0.6962727E+01 Ellipticity 0.2173325E-02 Gb(Abramov) 0.3041536E+00 Vb(Abramov) -0.4418412E+00 Hb(Abramov) -0.1376876E+00 Ex_ueg -0.8524976E-01 Ec_ueg -0.1158629E-01 Delta_ex -0.7809310E-01 Delta_ec 0.1828431E-01 Delta_et -0.2598903E+00 Pxc 0.7357811E+01 Qxc -0.4271043E+01 3,-1 165 3 -1 1.984104 -1.547908 -2.691495 Rho 0.1180443E+00 |GRAD(Rho)| 0.1473522E-15 GRAD(Rho)x 0.1230637E-15 GRAD(Rho)y -0.8809143E-17 GRAD(Rho)z 0.8056300E-16 Laplacian 0.4530540E+00 (-1/4)Del**2(Rho)) -0.1132635E+00 Diamond 0.6919439E+00 Metallicity 0.4320541E+01 Ellipticity 0.2578967E-01 Gb(Abramov) 0.1570689E+00 Vb(Abramov) -0.2008744E+00 Hb(Abramov) -0.4380543E-01 Ex_ueg -0.4276728E-01 Ec_ueg -0.6430520E-02 Delta_ex -0.4596245E-01 Delta_ec 0.1226183E-01 Delta_et -0.1572869E+00 Pxc 0.6650673E+01 Qxc -0.3748416E+01 3,-1 166 3 -1 1.996254 -1.535250 2.686009 Rho 0.1297428E+00 |GRAD(Rho)| 0.1997986E-13 GRAD(Rho)x -0.1731262E-13 GRAD(Rho)y 0.9934626E-14 GRAD(Rho)z -0.8781360E-15 Laplacian 0.5036281E+00 (-1/4)Del**2(Rho)) -0.1259070E+00 Diamond 0.8689847E+00 Metallicity 0.4549620E+01 Ellipticity 0.2344426E-01 Gb(Abramov) 0.1794095E+00 Vb(Abramov) -0.2329120E+00 Hb(Abramov) -0.5350251E-01 Ex_ueg -0.4850977E-01 Ec_ueg -0.7159664E-02 Delta_ex -0.5234862E-01 Delta_ec 0.1348840E-01 Delta_et -0.1761297E+00 Pxc 0.6775426E+01 Qxc -0.3881012E+01 3,-1 167 3 -1 1.993415 1.554778 2.704207 Rho 0.1305412E+00 |GRAD(Rho)| 0.1506882E-15 GRAD(Rho)x 0.8443224E-16 GRAD(Rho)y -0.5494872E-16 GRAD(Rho)z 0.1120658E-15 Laplacian 0.5125611E+00 (-1/4)Del**2(Rho)) -0.1281403E+00 Diamond 0.8731007E+00 Metallicity 0.4516274E+01 Ellipticity 0.3773312E-01 Gb(Abramov) 0.1818796E+00 Vb(Abramov) -0.2356190E+00 Hb(Abramov) -0.5373936E-01 Ex_ueg -0.4890824E-01 Ec_ueg -0.7209768E-02 Delta_ex -0.5314180E-01 Delta_ec 0.1332581E-01 Delta_et -0.1734811E+00 Pxc 0.6783608E+01 Qxc -0.3987887E+01 3,-1 168 3 -1 1.896937 -2.539461 -1.648590 Rho 0.2258252E+00 |GRAD(Rho)| 0.8141792E-13 GRAD(Rho)x -0.7299998E-13 GRAD(Rho)y 0.1258986E-13 GRAD(Rho)z 0.3378424E-13 Laplacian 0.8576122E+00 (-1/4)Del**2(Rho)) -0.2144031E+00 Diamond 0.2797953E+01 Metallicity 0.6728882E+01 Ellipticity 0.1968207E-01 Gb(Abramov) 0.3833842E+00 Vb(Abramov) -0.5523653E+00 Hb(Abramov) -0.1689811E+00 Ex_ueg -0.1015660E+00 Ec_ueg -0.1346476E-01 Delta_ex -0.1018673E+00 Delta_ec 0.1906985E-01 Delta_et -0.2625939E+00 Pxc 0.7543098E+01 Qxc -0.5341801E+01 3,-1 169 3 -1 1.929352 -2.574082 1.662488 Rho 0.2358266E+00 |GRAD(Rho)| 0.2005168E-15 GRAD(Rho)x -0.4607859E-16 GRAD(Rho)y -0.1812786E-15 GRAD(Rho)z -0.7226207E-16 Laplacian 0.9039856E+00 (-1/4)Del**2(Rho)) -0.2259964E+00 Diamond 0.3100385E+01 Metallicity 0.6861823E+01 Ellipticity 0.1181578E-01 Gb(Abramov) 0.4091222E+00 Vb(Abramov) -0.5922479E+00 Hb(Abramov) -0.1831257E+00 Ex_ueg -0.1076074E+00 Ec_ueg -0.1415109E-01 Delta_ex -0.1085578E+00 Delta_ec 0.1978203E-01 Delta_et -0.2725820E+00 Pxc 0.7604174E+01 Qxc -0.5487699E+01 3,-1 170 3 -1 3.015935 0.850189 -1.993670 Rho 0.1844749E+00 |GRAD(Rho)| 0.1890391E-14 GRAD(Rho)x -0.5223957E-15 GRAD(Rho)y 0.1789964E-14 GRAD(Rho)z 0.3109831E-15 Laplacian 0.7229242E+00 (-1/4)Del**2(Rho)) -0.1807311E+00 Diamond 0.1865938E+01 Metallicity 0.5698349E+01 Ellipticity 0.4712948E-01 Gb(Abramov) 0.2921321E+00 Vb(Abramov) -0.4035332E+00 Hb(Abramov) -0.1114011E+00 Ex_ueg -0.7755943E-01 Ec_ueg -0.1068584E-01 Delta_ex -0.8164908E-01 Delta_ec 0.1722832E-01 Delta_et -0.2346066E+00 Pxc 0.7258149E+01 Qxc -0.4739237E+01 3,-1 171 3 -1 3.007175 0.883232 2.005425 Rho 0.1735469E+00 |GRAD(Rho)| 0.2977838E-14 GRAD(Rho)x -0.6796863E-15 GRAD(Rho)y 0.2898235E-14 GRAD(Rho)z -0.7602629E-16 Laplacian 0.6774390E+00 (-1/4)Del**2(Rho)) -0.1693598E+00 Diamond 0.1612884E+01 Metallicity 0.5492514E+01 Ellipticity 0.5663409E-01 Gb(Abramov) 0.2679416E+00 Vb(Abramov) -0.3665235E+00 Hb(Abramov) -0.9858188E-01 Ex_ueg -0.7149477E-01 Ec_ueg -0.9967529E-02 Delta_ex -0.7524535E-01 Delta_ec 0.1623094E-01 Delta_et -0.2191303E+00 Pxc 0.7172768E+01 Qxc -0.4635921E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 145 144 138 89 128 141 163 158 164 143 130 140 142 129 87 139 127 110 159 152 153 77 96 122 169 147 166 120 83 150 117 170 156 149 134 61 137 64 102 161 52 98 56 59 133 60 67 97 66 58 132 57 135 63 136 160 104 162 85 148 118 171 167 151 155 121 168 146 165 119 157 71 73 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 21 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 37 2.395949 1.923971 1.914485 1.948259 1.935034 1.745777 1.568984 1.552920 1.568462 1.573500 2.395829 1.920296 1.938769 1.921588 1.938359 1.745957 2.466697 1.929604 1.923954 1.922913 1.912515 1.749219 2.480236 1.930076 1.750016 2.179803 1.981405 1.759139 2.577862 1.921070 1.965684 1.843834 1.965370 1.747560 2.512016 1.813363 1.941434 1.977608 2.023459 1.743173 2.392121 2.180077 1.963683 1.951264 1.755820 1.759147 2.355592 2.218779 1.959657 1.946053 1.753799 1.759918 2.431073 1.826148 1.957109 1.936474 2.006072 1.751893 2.645015 1.962105 1.962419 1.842184 1.954018 1.738619 2.529053 1.950431 1.740277 2.176457 1.996872 1.750527 2.993710 3.205830 3.255864 2.397326 1.924475 1.914882 1.948846 1.935664 1.745783 1.569017 1.553017 1.568503 1.573513 2.397241 1.920675 1.939254 1.922189 1.938959 1.745963 2.467897 1.930080 1.924336 1.923453 1.913030 1.749227 2.481352 1.930525 1.750041 2.180313 1.981968 1.759169 2.578898 1.921523 1.966086 1.844207 1.965927 1.747569 2.512933 1.813809 1.941904 1.978344 2.024248 1.743200 2.393807 2.180450 1.964115 1.951855 1.755836 1.759171 2.357269 2.219258 1.960082 1.946643 1.753812 1.759939 2.432092 1.826525 1.957462 1.936965 2.006643 1.751903 2.645804 1.962702 1.963096 1.842752 1.954702 1.738635 2.530157 1.950994 1.740362 2.177197 1.997622 1.750574 3.003444 3.208068 3.257552 27 24 23 26 26 21 19 23 19 22 27 23 23 27 25 21 29 25 23 26 27 25 29 23 22 25 23 23 33 23 23 23 27 21 29 22 23 23 24 22 27 26 25 23 23 22 30 26 27 23 23 23 28 22 26 23 25 21 29 24 23 22 23 21 29 23 22 25 23 22 33 35 35 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 W P W W W W Mo W W W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.4429 2.3259 2.4385 2.4435 2.3264 2.4222 2.2801 2.3576 2.3639 2.4204 2.2614 2.1899 -1.0426 -0.9942 -1.0418 -1.0414 -0.9295 -0.9658 -0.8677 -0.9423 -0.6935 -0.9401 -0.9804 -0.9654 -0.9398 -0.9807 -0.9679 -0.7725 -0.9003 -1.0090 -0.9432 -0.9571 -0.9471 -0.9625 -0.9857 -0.8075 -0.8076 -0.9579 -0.9917 -0.9794 -0.8140 -0.7766 -0.8135 -0.8303 -0.8504 -0.8256 -0.7630 -0.8483 -0.8475 -0.8345 -0.7543 2.0976 2.5157 2.0970 2.0914 2.1331 2.0963 1.9624 2.1372 2.1347 2.0987 1.9777 2.0017 1.8968 1.8991 1.8971 1.8935 1.9412 1.9348 1.9524 1.9328 1.9806 1.9335 1.9298 1.9308 1.9342 1.9295 1.9313 1.9657 1.9503 1.9379 1.9447 1.9408 1.9402 1.9409 1.9399 1.9567 1.9559 1.9404 1.9397 1.9387 1.9620 1.9669 1.9616 1.9587 1.9558 1.9604 1.9694 1.9551 1.9553 1.9587 1.9715 6.1039 7.3385 6.1028 6.0968 6.1191 6.1035 6.0929 6.1063 6.1009 6.1027 6.0994 6.1183 5.1071 5.0569 5.1059 5.1089 4.9582 5.0033 4.8870 4.9818 4.6796 4.9797 5.0216 5.0049 4.9778 5.0220 5.0077 4.7716 4.9225 5.0392 4.9697 4.9868 4.9774 4.9925 5.0157 4.8178 4.8189 4.9893 5.0211 5.0094 4.8177 4.7797 4.8176 4.8378 4.8623 4.8312 4.7626 4.8609 4.8601 4.8425 4.7510 3.3259 0.8198 3.3318 3.3385 3.3931 3.3487 3.6647 3.3703 3.3719 3.3485 3.6615 3.6901 0.0387 0.0382 0.0387 0.0390 0.0301 0.0277 0.0282 0.0277 0.0334 0.0268 0.0291 0.0298 0.0278 0.0293 0.0290 0.0352 0.0274 0.0319 0.0288 0.0295 0.0294 0.0291 0.0301 0.0330 0.0328 0.0282 0.0309 0.0314 0.0343 0.0300 0.0343 0.0337 0.0323 0.0340 0.0310 0.0322 0.0321 0.0333 0.0318 14.0298 0.0000 14.0298 14.0298 14.0283 14.0294 0.0000 14.0286 14.0286 14.0297 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 W P W W W W Mo W W W Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.517738 2.009149 2.517351 2.508084 2.467047 2.498742 3.165276 2.492337 2.492226 2.498792 3.168522 3.137815 -1.045958 -0.981058 -1.054987 -1.063260 -0.954691 -1.100891 -1.089032 -1.087449 -0.984787 -1.091573 -0.971236 -0.974760 -1.091064 -0.972892 -0.979007 -0.835632 -1.096081 -0.975729 -1.033961 -1.081710 -1.081570 -1.074567 -0.977469 -0.858859 -0.862724 -1.074284 -0.970591 -0.969109 -0.852043 -1.056388 -0.851690 -0.873175 -0.899480 -0.866875 -1.040644 -0.895418 -0.893946 -0.878605 -1.029888 1.942056 1.590081 1.947238 1.938451 1.940285 1.938468 2.350621 1.945447 1.954288 1.930200 2.353886 2.342231 -0.763352 -0.711492 -0.779786 -0.777818 -0.740254 -0.828217 -0.845890 -0.834877 -0.773925 -0.832205 -0.714272 -0.729137 -0.828038 -0.716429 -0.731031 -0.725046 -0.897064 -0.788460 -0.882258 -0.885792 -0.880610 -0.881543 -0.809418 -0.761095 -0.770063 -0.896445 -0.792374 -0.791434 -0.760157 -0.856645 -0.756871 -0.780530 -0.810192 -0.771508 -0.831043 -0.818915 -0.815424 -0.785181 -0.818464 2.046991 1.561038 2.053357 2.043135 2.024433 2.045113 2.440110 2.045924 2.049109 2.035616 2.448841 2.427867 -0.823806 -0.765543 -0.832481 -0.837297 -0.806427 -0.916646 -0.892425 -0.923852 -0.782002 -0.915943 -0.816947 -0.803302 -0.903318 -0.810961 -0.813890 -0.732817 -0.912885 -0.835125 -0.906783 -0.931968 -0.917874 -0.934672 -0.844803 -0.745410 -0.756732 -0.937351 -0.847959 -0.824058 -0.720684 -0.829154 -0.718225 -0.744239 -0.780876 -0.735842 -0.790729 -0.801526 -0.799243 -0.746237 -0.781499 2.57865597 1.78135918 -0.85277733 3.24806655 -18.40829609 -4.87932875 1.99225024 12.56721815 3.53177594 5.84107794 -366.5340 402.5551 -41.1544 -390.5490 -58.4708 -454.1530 Apr08-2024 22:36:46 Nodes: 1 Procs: 1 Apr08-2024 22:36:47 Nodes: 1 Procs: 1 0 Apr08-2024 22:36:47 Nodes: 1 Procs: 1 Apr08-2024 22:36:48 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr08-2024 22:36:48 Nodes: 1 Procs: 1 Apr08-2024 22:36:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr08-2024 22:36:49 Nodes: 1 Procs: 1 Apr08-2024 22:36:50 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr08-2024 22:36:52 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -16.01597923 -16.46371514 -16.28859522 -16.59570475 -16.65923557 -16.67142204 -16.67575396 -16.68344737 -16.68498007 -16.68692084 -16.68825797 -16.68886143 -16.68938784 -16.68967689 -16.68973109 -16.68975481 -16.68977436 -16.68978986 -16.68979983 -16.68981709 GEOMETRY CONVERGED