ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 2.16 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 Jun21-2024 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:34 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:37 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.02 0.03 2.31 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun21-2024 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:34 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:41 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.64 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 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 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 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun21-2024 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:34 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:45:41 Nodes: 1 Procs: 1 Jun21-2024 08:45:43 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:47 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.04 2.24 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 Jun21-2024 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:34 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:45:41 Nodes: 1 Procs: 1 Jun21-2024 08:45:43 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:45:47 Nodes: 1 Procs: 1 Jun21-2024 08:45:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:51 Hydrogen (TZP) c10-27 c10-27 c10-27 c10-27 c10-27 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 3.11 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 Jun21-2024 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:34 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:45:41 Nodes: 1 Procs: 1 Jun21-2024 08:45:43 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:45:47 Nodes: 1 Procs: 1 Jun21-2024 08:45:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:45:51 Nodes: 1 Procs: 1 Jun21-2024 08:45:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun21-2024 08:45:59 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2700.8935000000065 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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.Ta ADF 2019.304 Jun21-2024 08:45:43 1 1 Tantalum TZP 4d t21.As ADF 2019.304 Jun21-2024 08:45:38 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun21-2024 08:45:54 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun21-2024 08:45:49 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun21-2024 08:45:34 1 1 Hydrogen TZP 1 1 -17.23550681 0.24174052 0.00100000 F 0.08224327 0.00066667 F 0.24174052 0.08224327 0.27578067 0.01000000 F 0.07128603 0.00666667 F Cartesian 2700.8935000000065 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-1.110145 -1.019682 -1.023564 Rho 0.3190664E+03 3,-3 15 3 -3 0.957159 0.928301 -1.005272 Rho 0.3189954E+03 3,-3 16 3 -3 -0.996687 0.960534 0.990020 Rho 0.3190083E+03 3,-3 17 3 -3 -3.161328 -1.151319 1.214574 Rho 0.3188129E+03 3,-3 18 3 -3 3.118106 -1.202474 -1.118517 Rho 0.3188169E+03 3,-3 19 3 -3 -3.045470 1.207893 -1.064960 Rho 0.3190398E+03 3,-3 20 3 -3 3.095032 1.232444 1.226627 Rho 0.3188140E+03 3,-3 21 3 -3 1.370809 -1.281959 -3.178468 Rho 0.3186418E+03 3,-3 22 3 -3 1.138933 1.226036 3.067956 Rho 0.3188640E+03 3,-3 23 3 -3 -1.156386 1.154793 -3.005876 Rho 0.3188598E+03 3,-3 24 3 -3 -1.237322 -1.185677 3.197249 Rho 0.3188094E+03 3,-3 25 3 -3 -1.115903 3.007960 -1.122166 Rho 0.3188484E+03 3,-3 26 3 -3 -1.234956 -3.046489 1.235436 Rho 0.3188160E+03 3,-3 27 3 -3 1.119254 3.084218 1.197675 Rho 0.3188487E+03 3,-3 28 3 -3 1.267595 -3.121220 -1.155140 Rho 0.3191096E+03 3,-3 29 3 -3 3.464937 -1.556728 1.518918 Rho 0.3188710E+03 3,-3 30 3 -3 -3.550392 -1.636546 -1.603382 Rho 0.3188089E+03 3,-3 31 3 -3 3.528132 1.575531 -1.511884 Rho 0.3188460E+03 3,-3 32 3 -3 -3.473389 1.645389 1.564753 Rho 0.3188862E+03 3,-3 33 3 -3 1.509650 -1.512645 3.519991 Rho 0.3188401E+03 3,-3 34 3 -3 1.516508 1.516971 -3.472388 Rho 0.3188714E+03 3,-3 35 3 -3 -1.506154 1.607098 3.481088 Rho 0.3188846E+03 3,-3 36 3 -3 -1.971809 -1.403827 -4.029235 Rho 0.3190259E+03 3,-3 37 3 -3 -1.578171 -3.778009 -1.353975 Rho 0.3186243E+03 3,-3 38 3 -3 -1.489909 3.451436 1.533593 Rho 0.3189051E+03 3,-3 39 3 -3 1.574657 -3.476696 1.532848 Rho 0.3188653E+03 3,-3 40 3 -3 1.477022 3.433812 -1.572371 Rho 0.3188831E+03 3,-3 41 3 -3 -0.195442 -3.891962 3.850333 Rho 0.3190263E+03 3,-3 42 3 -3 3.973994 -0.132757 -3.804455 Rho 0.3190383E+03 3,-3 43 3 -3 -0.264550 3.720685 -3.783480 Rho 0.3191494E+03 3,-3 44 3 -3 0.221195 3.837008 3.801060 Rho 0.3191419E+03 3,-3 45 3 -3 3.816896 -3.846625 -0.192986 Rho 0.3191202E+03 3,-3 46 3 -3 3.778883 3.927077 0.226721 Rho 0.3190354E+03 3,-3 47 3 -3 -3.726122 3.831978 -0.238955 Rho 0.3191312E+03 3,-3 48 3 -3 -3.968270 -3.810717 0.266727 Rho 0.3190261E+03 3,-3 49 3 -3 -4.039759 0.463196 -3.621295 Rho 0.3189887E+03 3,-3 50 3 -3 -3.882756 -0.118837 3.883031 Rho 0.3190352E+03 3,-3 51 3 -3 3.857067 0.179874 3.855994 Rho 0.3190315E+03 3,-3 52 3 -3 1.112887 -1.919442 -2.456526 Rho 0.4429163E+00 3,-3 53 3 -3 -0.642494 -3.453928 -1.305245 Rho 0.4521889E+00 3,-3 54 3 +1 -1.769312 -0.557723 0.569178 Rho 0.8098549E-02 |GRAD(Rho)| 0.2535619E-15 GRAD(Rho)x 0.1786663E-15 GRAD(Rho)y 0.1149168E-15 GRAD(Rho)z -0.1384417E-15 Laplacian 0.2953373E-01 (-1/4)Del**2(Rho)) -0.7383432E-02 Diamond 0.7162313E-03 Metallicity 0.7620326E+00 Ellipticity -0.1479601E+01 Gb(Abramov) 0.5860024E-02 Vb(Abramov) -0.4336616E-02 Hb(Abramov) 0.1523408E-02 Ex_ueg -0.1201143E-02 Ec_ueg -0.2826000E-03 Delta_ex -0.1323039E-02 Delta_ec 0.4051112E-03 Delta_et -0.2735053E-02 Pxc 0.4250329E+01 Qxc -0.3265867E+01 3,+1 55 3 +1 -2.219964 1.062139 1.460136 Rho 0.2475198E-01 |GRAD(Rho)| 0.3750881E-16 GRAD(Rho)x -0.7047130E-17 GRAD(Rho)y -0.1777975E-16 GRAD(Rho)z 0.3226653E-16 Laplacian 0.9200613E-01 (-1/4)Del**2(Rho)) -0.2300153E-01 Diamond 0.1024800E-01 Metallicity 0.1574513E+01 Ellipticity -0.2438778E+01 Gb(Abramov) 0.2137039E-01 Vb(Abramov) -0.1973925E-01 Hb(Abramov) 0.1631141E-02 Ex_ueg -0.5327600E-02 Ec_ueg -0.1076235E-02 Delta_ex -0.5528625E-02 Delta_ec 0.1242678E-02 Delta_et -0.1101873E-01 Pxc 0.4950221E+01 Qxc -0.4448962E+01 3,+1 56 3 -1 -0.293759 -1.306630 -3.573870 Rho 0.3957194E-02 |GRAD(Rho)| 0.8418059E-17 GRAD(Rho)x -0.8372549E-17 GRAD(Rho)y -0.5226398E-18 GRAD(Rho)z -0.7007030E-18 Laplacian 0.1297581E-01 (-1/4)Del**2(Rho)) -0.3243953E-02 Diamond 0.3051079E-03 Metallicity 0.5257639E+00 Ellipticity 0.1716649E+00 Gb(Abramov) 0.2446894E-02 Vb(Abramov) -0.1649836E-02 Hb(Abramov) 0.7970588E-03 Ex_ueg -0.4622761E-03 Ec_ueg -0.1023164E-03 Delta_ex -0.7238475E-03 Delta_ec 0.5990516E-03 Delta_et -0.2953671E-02 Pxc 0.4518106E+01 Qxc -0.1208323E+01 3,-1 57 3 -1 -3.377154 0.115658 -3.209698 Rho 0.1872173E+00 |GRAD(Rho)| 0.7334313E-15 GRAD(Rho)x 0.5081656E-15 GRAD(Rho)y -0.2773931E-15 GRAD(Rho)z 0.4502692E-15 Laplacian 0.7084126E+00 (-1/4)Del**2(Rho)) -0.1771032E+00 Diamond 0.1880419E+01 Metallicity 0.5959872E+01 Ellipticity 0.2146480E-01 Gb(Abramov) 0.2939875E+00 Vb(Abramov) -0.4108718E+00 Hb(Abramov) -0.1168843E+00 Ex_ueg -0.7910060E-01 Ec_ueg -0.1086718E-01 Delta_ex -0.8045214E-01 Delta_ec 0.1707059E-01 Delta_et -0.2335964E+00 Pxc 0.7278851E+01 Qxc -0.4712908E+01 3,-1 58 3 +1 -3.038545 -0.285235 -0.282149 Rho 0.5064084E-02 |GRAD(Rho)| 0.5053202E-17 GRAD(Rho)x 0.3241111E-18 GRAD(Rho)y 0.1030527E-17 GRAD(Rho)z -0.4936377E-17 Laplacian 0.1926256E-01 (-1/4)Del**2(Rho)) -0.4815641E-02 Diamond 0.3156725E-03 Metallicity 0.5342369E+00 Ellipticity -0.1461929E+01 Gb(Abramov) 0.3639210E-02 Vb(Abramov) -0.2462778E-02 Hb(Abramov) 0.1176431E-02 Ex_ueg -0.6422729E-03 Ec_ueg -0.1496716E-03 Delta_ex -0.8310870E-03 Delta_ec 0.3762693E-03 Delta_et -0.2144263E-02 Pxc 0.4291213E+01 Qxc -0.2208756E+01 3,+1 59 3 +1 -0.419861 -1.088332 -2.829545 Rho 0.2981045E-02 |GRAD(Rho)| 0.4240787E-11 GRAD(Rho)x -0.4127157E-11 GRAD(Rho)y 0.4339829E-12 GRAD(Rho)z 0.8732154E-12 Laplacian 0.1061985E-01 (-1/4)Del**2(Rho)) -0.2654962E-02 Diamond 0.8014223E-04 Metallicity 0.4006599E+00 Ellipticity -0.1277547E+01 Gb(Abramov) 0.1947264E-02 Vb(Abramov) -0.1239566E-02 Hb(Abramov) 0.7076979E-03 Ex_ueg -0.3168666E-03 Ec_ueg -0.6109124E-04 Delta_ex -0.3991499E-03 Delta_ec 0.1904950E-03 Delta_et -0.9447233E-03 Pxc 0.5186777E+01 Qxc -0.2095330E+01 3,+1 60 3 +1 -0.189895 -2.351227 -1.121766 Rho 0.6482265E-02 |GRAD(Rho)| 0.7822972E-14 GRAD(Rho)x 0.7122955E-14 GRAD(Rho)y -0.8701408E-15 GRAD(Rho)z 0.3115326E-14 Laplacian 0.2466666E-01 (-1/4)Del**2(Rho)) -0.6166666E-02 Diamond 0.6095506E-03 Metallicity 0.6295748E+00 Ellipticity -0.1825663E+01 Gb(Abramov) 0.4758174E-02 Vb(Abramov) -0.3349681E-02 Hb(Abramov) 0.1408492E-02 Ex_ueg -0.8926628E-03 Ec_ueg -0.2112480E-03 Delta_ex -0.1155232E-02 Delta_ec 0.5349283E-03 Delta_et -0.3234111E-02 Pxc 0.4225663E+01 Qxc -0.2159602E+01 3,+1 61 3 +1 0.524269 1.693146 0.502067 Rho 0.7130441E-02 |GRAD(Rho)| 0.5746090E-13 GRAD(Rho)x 0.3252728E-13 GRAD(Rho)y -0.3696035E-13 GRAD(Rho)z 0.2962539E-13 Laplacian 0.2750053E-01 (-1/4)Del**2(Rho)) -0.6875132E-02 Diamond 0.5769854E-03 Metallicity 0.6619107E+00 Ellipticity -0.1397690E+01 Gb(Abramov) 0.5341875E-02 Vb(Abramov) -0.3808619E-02 Hb(Abramov) 0.1533257E-02 Ex_ueg -0.1013616E-02 Ec_ueg -0.2397158E-03 Delta_ex -0.1202502E-02 Delta_ec 0.3939129E-03 Delta_et -0.2559057E-02 Pxc 0.4228408E+01 Qxc -0.3052711E+01 3,+1 62 3 -1 -3.363738 -3.245152 0.097774 Rho 0.1957100E+00 |GRAD(Rho)| 0.2382021E-14 GRAD(Rho)x 0.1837397E-14 GRAD(Rho)y 0.4208873E-15 GRAD(Rho)z -0.1456314E-14 Laplacian 0.7478597E+00 (-1/4)Del**2(Rho)) -0.1869649E+00 Diamond 0.2081821E+01 Metallicity 0.6078755E+01 Ellipticity 0.1877137E-02 Gb(Abramov) 0.3140623E+00 Vb(Abramov) -0.4411596E+00 Hb(Abramov) -0.1270974E+00 Ex_ueg -0.8392068E-01 Ec_ueg -0.1143144E-01 Delta_ex -0.8580851E-01 Delta_ec 0.1765863E-01 Delta_et -0.2421587E+00 Pxc 0.7341216E+01 Qxc -0.4859296E+01 3,-1 63 3 +3 -1.182890 -1.104878 1.209087 Rho 0.4807543E-02 |GRAD(Rho)| 0.3191954E-12 GRAD(Rho)x -0.1266098E-12 GRAD(Rho)y 0.1742632E-12 GRAD(Rho)z 0.2355588E-12 Laplacian 0.1712246E-01 (-1/4)Del**2(Rho)) -0.4280615E-02 Diamond 0.1085188E-03 Metallicity 0.5511277E+00 Ellipticity -0.2792964E+00 Gb(Abramov) 0.3246938E-02 Vb(Abramov) -0.2213260E-02 Hb(Abramov) 0.1033677E-02 Ex_ueg -0.5992609E-03 Ec_ueg -0.1386400E-03 Delta_ex -0.5804734E-03 Delta_ec 0.6704789E-04 Delta_et -0.5515275E-03 Pxc 0.4322424E+01 Qxc -0.8657594E+01 3,+3 64 3 -1 -1.992629 2.995037 0.860185 Rho 0.1167098E+00 |GRAD(Rho)| 0.1426238E-15 GRAD(Rho)x 0.8994812E-16 GRAD(Rho)y 0.1080950E-15 GRAD(Rho)z 0.2379824E-16 Laplacian 0.4633975E+00 (-1/4)Del**2(Rho)) -0.1158494E+00 Diamond 0.6889242E+00 Metallicity 0.4144813E+01 Ellipticity 0.2833657E-01 Gb(Abramov) 0.1572619E+00 Vb(Abramov) -0.1986744E+00 Hb(Abramov) -0.4141254E-01 Ex_ueg -0.4212385E-01 Ec_ueg -0.6347945E-02 Delta_ex -0.4675697E-01 Delta_ec 0.1234604E-01 Delta_et -0.1576879E+00 Pxc 0.6635825E+01 Qxc -0.3787203E+01 3,-1 65 3 -1 -3.041459 2.043792 0.884881 Rho 0.1529786E+00 |GRAD(Rho)| 0.2548626E-12 GRAD(Rho)x 0.1034387E-12 GRAD(Rho)y 0.1296255E-12 GRAD(Rho)z -0.1935267E-12 Laplacian 0.5875583E+00 (-1/4)Del**2(Rho)) -0.1468896E+00 Diamond 0.1220234E+01 Metallicity 0.5131919E+01 Ellipticity 0.3063308E-01 Gb(Abramov) 0.2235640E+00 Vb(Abramov) -0.3002383E+00 Hb(Abramov) -0.7667438E-01 Ex_ueg -0.6042627E-01 Ec_ueg -0.8634457E-02 Delta_ex -0.6341495E-01 Delta_ec 0.1485381E-01 Delta_et -0.1983135E+00 Pxc 0.6998272E+01 Qxc -0.4269271E+01 3,-1 66 3 +3 -1.180455 1.086195 -1.140724 Rho 0.5164041E-02 |GRAD(Rho)| 0.2010195E-11 GRAD(Rho)x -0.1059088E-11 GRAD(Rho)y -0.7259375E-12 GRAD(Rho)z -0.1546684E-11 Laplacian 0.2017363E-01 (-1/4)Del**2(Rho)) -0.5043408E-02 Diamond 0.1473016E-03 Metallicity 0.5270015E+00 Ellipticity -0.2993594E+00 Gb(Abramov) 0.3805253E-02 Vb(Abramov) -0.2567097E-02 Hb(Abramov) 0.1238155E-02 Ex_ueg -0.6592315E-03 Ec_ueg -0.1539790E-03 Delta_ex -0.7033114E-03 Delta_ec 0.8894697E-04 Delta_et -0.7078175E-03 Pxc 0.4281309E+01 Qxc -0.7907087E+01 3,+3 67 3 -1 -3.122095 -2.079298 -0.896497 Rho 0.1250506E+00 |GRAD(Rho)| 0.1160472E-11 GRAD(Rho)x 0.5187463E-12 GRAD(Rho)y -0.5525775E-12 GRAD(Rho)z 0.8787805E-12 Laplacian 0.5083029E+00 (-1/4)Del**2(Rho)) -0.1270757E+00 Diamond 0.8459527E+00 Metallicity 0.4239357E+01 Ellipticity 0.2750183E-01 Gb(Abramov) 0.1745037E+00 Vb(Abramov) -0.2219317E+00 Hb(Abramov) -0.4742799E-01 Ex_ueg -0.4618482E-01 Ec_ueg -0.6866087E-02 Delta_ex -0.5245800E-01 Delta_ec 0.1388818E-01 Delta_et -0.1804917E+00 Pxc 0.6726512E+01 Qxc -0.3777169E+01 3,-1 68 3 +1 -0.610419 0.489863 -1.676556 Rho 0.8974964E-02 |GRAD(Rho)| 0.1286517E-16 GRAD(Rho)x 0.4853588E-17 GRAD(Rho)y -0.7413011E-17 GRAD(Rho)z 0.9327514E-17 Laplacian 0.3461910E-01 (-1/4)Del**2(Rho)) -0.8654775E-02 Diamond 0.1034333E-02 Metallicity 0.7715284E+00 Ellipticity -0.1545273E+01 Gb(Abramov) 0.6882751E-02 Vb(Abramov) -0.5110727E-02 Hb(Abramov) 0.1772024E-02 Ex_ueg -0.1377512E-02 Ec_ueg -0.3217881E-03 Delta_ex -0.1621044E-02 Delta_ec 0.5269556E-03 Delta_et -0.3609497E-02 Pxc 0.4280804E+01 Qxc -0.3076245E+01 3,+1 69 3 -1 -2.817492 1.807678 -0.523118 Rho 0.1964306E+00 |GRAD(Rho)| 0.6594782E-15 GRAD(Rho)x 0.1251305E-15 GRAD(Rho)y 0.3277543E-15 GRAD(Rho)z 0.5584183E-15 Laplacian 0.7895911E+00 (-1/4)Del**2(Rho)) -0.1973978E+00 Diamond 0.2175941E+01 Metallicity 0.5792858E+01 Ellipticity 0.1677030E-01 Gb(Abramov) 0.3221814E+00 Vb(Abramov) -0.4469650E+00 Hb(Abramov) -0.1247836E+00 Ex_ueg -0.8433295E-01 Ec_ueg -0.1147951E-01 Delta_ex -0.9046058E-01 Delta_ec 0.1823094E-01 Delta_et -0.2487571E+00 Pxc 0.7346391E+01 Qxc -0.4961925E+01 3,-1 70 3 +3 -1.934113 1.935102 1.958600 Rho 0.1181817E-01 |GRAD(Rho)| 0.2575335E-16 GRAD(Rho)x -0.1109211E-16 GRAD(Rho)y -0.2170368E-16 GRAD(Rho)z -0.8315660E-17 Laplacian 0.5303367E-01 (-1/4)Del**2(Rho)) -0.1325842E-01 Diamond 0.1185928E-02 Metallicity 0.7967319E+00 Ellipticity -0.7589736E+00 Gb(Abramov) 0.1059951E-01 Vb(Abramov) -0.7940607E-02 Hb(Abramov) 0.2658905E-02 Ex_ueg -0.1988164E-02 Ec_ueg -0.4511818E-03 Delta_ex -0.2332381E-02 Delta_ec 0.2170523E-03 Delta_et -0.1986579E-02 Pxc 0.4406570E+01 Qxc -0.1074571E+02 3,+3 71 3 +1 -1.730152 0.509649 -0.544971 Rho 0.9029186E-02 |GRAD(Rho)| 0.1104586E-12 GRAD(Rho)x 0.9010655E-13 GRAD(Rho)y -0.5569735E-13 GRAD(Rho)z 0.3130042E-13 Laplacian 0.3449928E-01 (-1/4)Del**2(Rho)) -0.8624821E-02 Diamond 0.1038092E-02 Metallicity 0.7820192E+00 Ellipticity -0.1560442E+01 Gb(Abramov) 0.6874010E-02 Vb(Abramov) -0.5123199E-02 Hb(Abramov) 0.1750811E-02 Ex_ueg -0.1388619E-02 Ec_ueg -0.3242237E-03 Delta_ex -0.1617388E-02 Delta_ec 0.5242616E-03 Delta_et -0.3597349E-02 Pxc 0.4282905E+01 Qxc -0.3085078E+01 3,+1 72 3 +3 0.041257 2.255574 0.024943 Rho 0.4502981E-02 |GRAD(Rho)| 0.3995911E-17 GRAD(Rho)x -0.2315159E-17 GRAD(Rho)y 0.1377596E-17 GRAD(Rho)z -0.2951198E-17 Laplacian 0.1843909E-01 (-1/4)Del**2(Rho)) -0.4609773E-02 Diamond 0.1396652E-03 Metallicity 0.4588885E+00 Ellipticity -0.3061470E+00 Gb(Abramov) 0.3425744E-02 Vb(Abramov) -0.2241715E-02 Hb(Abramov) 0.1184029E-02 Ex_ueg -0.5491849E-03 Ec_ueg -0.1255872E-03 Delta_ex -0.6488581E-03 Delta_ec 0.1347659E-03 Delta_et -0.8913142E-03 Pxc 0.4372938E+01 Qxc -0.4814705E+01 3,+3 73 3 -1 -3.048494 0.908707 2.053345 Rho 0.1018711E+00 |GRAD(Rho)| 0.9882426E-10 GRAD(Rho)x -0.4080524E-10 GRAD(Rho)y 0.7429741E-10 GRAD(Rho)z -0.5080415E-10 Laplacian 0.4223382E+00 (-1/4)Del**2(Rho)) -0.1055845E+00 Diamond 0.5529080E+00 Metallicity 0.3625527E+01 Ellipticity 0.1811063E-01 Gb(Abramov) 0.1341896E+00 Vb(Abramov) -0.1627947E+00 Hb(Abramov) -0.2860508E-01 Ex_ueg -0.3513875E-01 Ec_ueg -0.5438535E-02 Delta_ex -0.4159922E-01 Delta_ec 0.1219820E-01 Delta_et -0.1526740E+00 Pxc 0.6461070E+01 Qxc -0.3410275E+01 3,-1 74 3 +1 -0.309866 -0.558892 -3.195198 Rho 0.2942989E-02 |GRAD(Rho)| 0.5895635E-15 GRAD(Rho)x 0.3304622E-16 GRAD(Rho)y 0.5756236E-15 GRAD(Rho)z 0.1230875E-15 Laplacian 0.1019744E-01 (-1/4)Del**2(Rho)) -0.2549360E-02 Diamond 0.8776715E-04 Metallicity 0.4084163E+00 Ellipticity -0.1455362E+01 Gb(Abramov) 0.1873106E-02 Vb(Abramov) -0.1196853E-02 Hb(Abramov) 0.6762532E-03 Ex_ueg -0.3114846E-03 Ec_ueg -0.5949448E-04 Delta_ex -0.4050587E-03 Delta_ec 0.2236869E-03 Delta_et -0.1075577E-02 Pxc 0.5235520E+01 Qxc -0.1810829E+01 3,+1 75 3 -1 -3.098484 -0.999070 -2.129477 Rho 0.1234999E+00 |GRAD(Rho)| 0.2485879E-15 GRAD(Rho)x 0.9176416E-16 GRAD(Rho)y 0.1892475E-15 GRAD(Rho)z -0.1325166E-15 Laplacian 0.4901086E+00 (-1/4)Del**2(Rho)) -0.1225272E+00 Diamond 0.8094680E+00 Metallicity 0.4306241E+01 Ellipticity 0.1928927E-01 Gb(Abramov) 0.1696233E+00 Vb(Abramov) -0.2167195E+00 Hb(Abramov) -0.4709618E-01 Ex_ueg -0.4542278E-01 Ec_ueg -0.6769392E-02 Delta_ex -0.5050698E-01 Delta_ec 0.1356688E-01 Delta_et -0.1761602E+00 Pxc 0.6710023E+01 Qxc -0.3722816E+01 3,-1 76 3 +3 1.017640 -1.182906 -1.244587 Rho 0.4152073E-02 |GRAD(Rho)| 0.9205339E-12 GRAD(Rho)x -0.5261923E-12 GRAD(Rho)y 0.7473483E-12 GRAD(Rho)z -0.1094299E-12 Laplacian 0.1575894E-01 (-1/4)Del**2(Rho)) -0.3939736E-02 Diamond 0.1133849E-03 Metallicity 0.4690232E+00 Ellipticity -0.4904749E+00 Gb(Abramov) 0.2934462E-02 Vb(Abramov) -0.1929188E-02 Hb(Abramov) 0.1005274E-02 Ex_ueg -0.4928768E-03 Ec_ueg -0.1106075E-03 Delta_ex -0.5505955E-03 Delta_ec 0.1289513E-03 Delta_et -0.8131432E-03 Pxc 0.4456087E+01 Qxc -0.4269794E+01 3,+3 77 3 -1 -2.886795 -0.571250 1.867285 Rho 0.1360835E+00 |GRAD(Rho)| 0.5337590E-09 GRAD(Rho)x -0.1491628E-09 GRAD(Rho)y -0.3392932E-09 GRAD(Rho)z -0.3840954E-09 Laplacian 0.5693266E+00 (-1/4)Del**2(Rho)) -0.1423316E+00 Diamond 0.1045858E+01 Metallicity 0.4357737E+01 Ellipticity 0.1421703E-01 Gb(Abramov) 0.1982617E+00 Vb(Abramov) -0.2541918E+00 Hb(Abramov) -0.5593009E-01 Ex_ueg -0.5169626E-01 Ec_ueg -0.7558702E-02 Delta_ex -0.5992440E-01 Delta_ec 0.1518804E-01 Delta_et -0.2000917E+00 Pxc 0.6839304E+01 Qxc -0.3945499E+01 3,-1 78 3 +3 -2.400589 -0.035117 0.023541 Rho 0.4560945E-02 |GRAD(Rho)| 0.5501262E-17 GRAD(Rho)x -0.1625143E-17 GRAD(Rho)y -0.3053299E-17 GRAD(Rho)z 0.4277869E-17 Laplacian 0.1817676E-01 (-1/4)Del**2(Rho)) -0.4544190E-02 Diamond 0.1527411E-03 Metallicity 0.4755411E+00 Ellipticity -0.4838212E+00 Gb(Abramov) 0.3389618E-02 Vb(Abramov) -0.2235047E-02 Hb(Abramov) 0.1154572E-02 Ex_ueg -0.5586308E-03 Ec_ueg -0.1280677E-03 Delta_ex -0.6550565E-03 Delta_ec 0.1565481E-03 Delta_et -0.9966660E-03 Pxc 0.4361996E+01 Qxc -0.4184379E+01 3,+3 79 3 -1 -2.831365 0.495509 -1.857775 Rho 0.5846302E-01 |GRAD(Rho)| 0.1159063E-15 GRAD(Rho)x -0.2141892E-16 GRAD(Rho)y 0.5690537E-16 GRAD(Rho)z 0.9867764E-16 Laplacian 0.2548935E+00 (-1/4)Del**2(Rho)) -0.6372338E-01 Diamond 0.1727598E+00 Metallicity 0.2380801E+01 Ellipticity 0.7340089E-02 Gb(Abramov) 0.6776770E-01 Vb(Abramov) -0.7181202E-01 Hb(Abramov) -0.4044324E-02 Ex_ueg -0.1675818E-01 Ec_ueg -0.2887757E-02 Delta_ex -0.2228114E-01 Delta_ec 0.8394184E-02 Delta_et -0.9250328E-01 Pxc 0.5803180E+01 Qxc -0.2654355E+01 3,-1 80 3 +1 0.538095 0.490422 1.704191 Rho 0.7132724E-02 |GRAD(Rho)| 0.2927358E-16 GRAD(Rho)x 0.1990020E-16 GRAD(Rho)y -0.1920421E-16 GRAD(Rho)z 0.9598068E-17 Laplacian 0.2748423E-01 (-1/4)Del**2(Rho)) -0.6871057E-02 Diamond 0.5789951E-03 Metallicity 0.6626568E+00 Ellipticity -0.1402445E+01 Gb(Abramov) 0.5339563E-02 Vb(Abramov) -0.3808070E-02 Hb(Abramov) 0.1531494E-02 Ex_ueg -0.1014049E-02 Ec_ueg -0.2398164E-03 Delta_ex -0.1203099E-02 Delta_ec 0.3958481E-03 Delta_et -0.2570025E-02 Pxc 0.4228439E+01 Qxc -0.3039296E+01 3,+1 81 3 -1 -2.015298 0.889774 3.060501 Rho 0.1048957E+00 |GRAD(Rho)| 0.1597099E-15 GRAD(Rho)x -0.3826556E-16 GRAD(Rho)y 0.9906897E-16 GRAD(Rho)z 0.1192826E-15 Laplacian 0.4322225E+00 (-1/4)Del**2(Rho)) -0.1080556E+00 Diamond 0.5860818E+00 Metallicity 0.3719647E+01 Ellipticity 0.1213179E-01 Gb(Abramov) 0.1390252E+00 Vb(Abramov) -0.1699948E+00 Hb(Abramov) -0.3096959E-01 Ex_ueg -0.3653663E-01 Ec_ueg -0.5622557E-02 Delta_ex -0.4286096E-01 Delta_ec 0.1240155E-01 Delta_et -0.1561300E+00 Pxc 0.6498223E+01 Qxc -0.3456097E+01 3,-1 82 3 +1 -1.780337 1.731610 -1.740629 Rho 0.1125164E-01 |GRAD(Rho)| 0.1223452E-15 GRAD(Rho)x 0.1024802E-15 GRAD(Rho)y 0.4465111E-16 GRAD(Rho)z -0.4972364E-16 Laplacian 0.5439611E-01 (-1/4)Del**2(Rho)) -0.1359903E-01 Diamond 0.2028361E-02 Metallicity 0.7157123E+00 Ellipticity -0.1293229E+01 Gb(Abramov) 0.1068818E-01 Vb(Abramov) -0.7777340E-02 Hb(Abramov) 0.2910844E-02 Ex_ueg -0.1862114E-02 Ec_ueg -0.4251333E-03 Delta_ex -0.2639231E-02 Delta_ec 0.7245243E-03 Delta_et -0.5332919E-02 Pxc 0.4380071E+01 Qxc -0.3642708E+01 3,+1 83 3 -1 -1.847412 -1.764037 -0.539139 Rho 0.4520827E-01 |GRAD(Rho)| 0.7726802E-16 GRAD(Rho)x 0.4811825E-16 GRAD(Rho)y 0.5546626E-16 GRAD(Rho)z -0.2405150E-16 Laplacian 0.1895778E+00 (-1/4)Del**2(Rho)) -0.4739446E-01 Diamond 0.9064866E-01 Metallicity 0.2085397E+01 Ellipticity 0.3145956E-01 Gb(Abramov) 0.4806901E-01 Vb(Abramov) -0.4874357E-01 Hb(Abramov) -0.6745586E-03 Ex_ueg -0.1189439E-01 Ec_ueg -0.2151769E-02 Delta_ex -0.1555272E-01 Delta_ec 0.6255464E-02 Delta_et -0.6435915E-01 Pxc 0.5527728E+01 Qxc -0.2486261E+01 3,-1 84 3 +1 -1.859714 -1.761366 1.858374 Rho 0.1116881E-01 |GRAD(Rho)| 0.2576214E-14 GRAD(Rho)x 0.2220513E-14 GRAD(Rho)y -0.9816010E-15 GRAD(Rho)z 0.8617755E-15 Laplacian 0.4969918E-01 (-1/4)Del**2(Rho)) -0.1242480E-01 Diamond 0.1649953E-02 Metallicity 0.7737640E+00 Ellipticity -0.1256545E+01 Gb(Abramov) 0.9885507E-02 Vb(Abramov) -0.7346219E-02 Hb(Abramov) 0.2539289E-02 Ex_ueg -0.1843858E-02 Ec_ueg -0.4213355E-03 Delta_ex -0.2347984E-02 Delta_ec 0.5571500E-03 Delta_et -0.4174807E-02 Pxc 0.4376223E+01 Qxc -0.4214277E+01 3,+1 85 3 +1 -2.296177 -1.172623 -1.440545 Rho 0.2674064E-01 |GRAD(Rho)| 0.2327636E-16 GRAD(Rho)x -0.2199220E-16 GRAD(Rho)y -0.1475219E-17 GRAD(Rho)z -0.7480342E-17 Laplacian 0.1034337E+00 (-1/4)Del**2(Rho)) -0.2585843E-01 Diamond 0.1531245E-01 Metallicity 0.1593080E+01 Ellipticity -0.5505285E+01 Gb(Abramov) 0.2410471E-01 Vb(Abramov) -0.2235099E-01 Hb(Abramov) 0.1753720E-02 Ex_ueg -0.5905829E-02 Ec_ueg -0.1176746E-02 Delta_ex -0.6596700E-02 Delta_ec 0.1838626E-02 Delta_et -0.1648257E-01 Pxc 0.5018780E+01 Qxc -0.3587842E+01 3,+1 86 3 +1 -0.183852 3.016360 0.213844 Rho 0.5939464E-02 |GRAD(Rho)| 0.2437642E-17 GRAD(Rho)x 0.1011469E-17 GRAD(Rho)y -0.2057504E-17 GRAD(Rho)z 0.8280724E-18 Laplacian 0.2436869E-01 (-1/4)Del**2(Rho)) -0.6092173E-02 Diamond 0.6538290E-03 Metallicity 0.5508410E+00 Ellipticity -0.2439324E+01 Gb(Abramov) 0.4620752E-02 Vb(Abramov) -0.3149331E-02 Hb(Abramov) 0.1471421E-02 Ex_ueg -0.7944161E-03 Ec_ueg -0.1875631E-03 Delta_ex -0.1206887E-02 Delta_ec 0.6849272E-03 Delta_et -0.3949331E-02 Pxc 0.4235460E+01 Qxc -0.1762066E+01 3,+1 87 3 -1 -1.799358 2.761385 -0.546354 Rho 0.1298108E+00 |GRAD(Rho)| 0.1696098E-15 GRAD(Rho)x -0.1660185E-15 GRAD(Rho)y 0.2117582E-17 GRAD(Rho)z 0.3465381E-16 Laplacian 0.5352579E+00 (-1/4)Del**2(Rho)) -0.1338145E+00 Diamond 0.9106573E+00 Metallicity 0.4284514E+01 Ellipticity 0.1259867E-01 Gb(Abramov) 0.1847647E+00 Vb(Abramov) -0.2357148E+00 Hb(Abramov) -0.5095017E-01 Ex_ueg -0.4854370E-01 Ec_ueg -0.7163933E-02 Delta_ex -0.5548045E-01 Delta_ec 0.1404292E-01 Delta_et -0.1828559E+00 Pxc 0.6776125E+01 Qxc -0.3950777E+01 3,-1 88 3 +1 -1.201073 2.180451 1.270578 Rho 0.2666854E-01 |GRAD(Rho)| 0.2928379E-15 GRAD(Rho)x -0.7019236E-16 GRAD(Rho)y 0.2688241E-15 GRAD(Rho)z 0.9252383E-16 Laplacian 0.1072854E+00 (-1/4)Del**2(Rho)) -0.2682136E-01 Diamond 0.1658928E-01 Metallicity 0.1528989E+01 Ellipticity -0.6781728E+01 Gb(Abramov) 0.2471583E-01 Vb(Abramov) -0.2261031E-01 Hb(Abramov) 0.2105525E-02 Ex_ueg -0.5884605E-02 Ec_ueg -0.1173084E-02 Delta_ex -0.6913711E-02 Delta_ec 0.2043281E-02 Delta_et -0.1828106E-01 Pxc 0.5016355E+01 Qxc -0.3383632E+01 3,+1 89 3 +1 -0.551071 1.630014 -0.533983 Rho 0.8782352E-02 |GRAD(Rho)| 0.1139286E-16 GRAD(Rho)x -0.8115386E-18 GRAD(Rho)y -0.7126002E-17 GRAD(Rho)z 0.8852050E-17 Laplacian 0.3427113E-01 (-1/4)Del**2(Rho)) -0.8567783E-02 Diamond 0.9309716E-03 Metallicity 0.7516854E+00 Ellipticity -0.1436652E+01 Gb(Abramov) 0.6785235E-02 Vb(Abramov) -0.5002687E-02 Hb(Abramov) 0.1782548E-02 Ex_ueg -0.1338236E-02 Ec_ueg -0.3131464E-03 Delta_ex -0.1568387E-02 Delta_ec 0.4722554E-03 Delta_et -0.3253362E-02 Pxc 0.4273517E+01 Qxc -0.3321056E+01 3,+1 90 3 -1 -1.871513 -0.590225 2.913502 Rho 0.1358282E+00 |GRAD(Rho)| 0.7310685E-14 GRAD(Rho)x -0.5200186E-14 GRAD(Rho)y 0.4831584E-14 GRAD(Rho)z -0.1749279E-14 Laplacian 0.5713208E+00 (-1/4)Del**2(Rho)) -0.1428302E+00 Diamond 0.1047959E+01 Metallicity 0.4328955E+01 Ellipticity 0.1240104E-01 Gb(Abramov) 0.1982710E+00 Vb(Abramov) -0.2537119E+00 Hb(Abramov) -0.5544085E-01 Ex_ueg -0.5156697E-01 Ec_ueg -0.7542583E-02 Delta_ex -0.6011621E-01 Delta_ec 0.1526440E-01 Delta_et -0.2010685E+00 Pxc 0.6836779E+01 Qxc -0.3938328E+01 3,-1 91 3 -1 -1.843582 0.473711 -2.869693 Rho 0.9997997E-01 |GRAD(Rho)| 0.2589123E-15 GRAD(Rho)x 0.1995068E-15 GRAD(Rho)y 0.1647784E-15 GRAD(Rho)z -0.8983631E-17 Laplacian 0.4349151E+00 (-1/4)Del**2(Rho)) -0.1087288E+00 Diamond 0.5663192E+00 Metallicity 0.3412430E+01 Ellipticity 0.8516169E-02 Gb(Abramov) 0.1343241E+00 Vb(Abramov) -0.1599193E+00 Hb(Abramov) -0.2559529E-01 Ex_ueg -0.3427171E-01 Ec_ueg -0.5323839E-02 Delta_ex -0.4281855E-01 Delta_ec 0.1290815E-01 Delta_et -0.1612921E+00 Pxc 0.6437405E+01 Qxc -0.3317171E+01 3,-1 92 3 +1 0.052072 -0.069374 3.079795 Rho 0.4691850E-02 |GRAD(Rho)| 0.3007401E-15 GRAD(Rho)x 0.1986855E-15 GRAD(Rho)y -0.2244760E-15 GRAD(Rho)z 0.2406625E-16 Laplacian 0.1793717E-01 (-1/4)Del**2(Rho)) -0.4484292E-02 Diamond 0.3869878E-03 Metallicity 0.5051645E+00 Ellipticity -0.4211919E+01 Gb(Abramov) 0.3367079E-02 Vb(Abramov) -0.2249866E-02 Hb(Abramov) 0.1117213E-02 Ex_ueg -0.5801103E-03 Ec_ueg -0.1336761E-03 Delta_ex -0.8839920E-03 Delta_ec 0.5701824E-03 Delta_et -0.3035759E-02 Pxc 0.4339673E+01 Qxc -0.1550367E+01 3,+1 93 3 -1 -1.762493 0.507129 1.763978 Rho 0.4127873E-01 |GRAD(Rho)| 0.3778202E-16 GRAD(Rho)x -0.3280982E-17 GRAD(Rho)y 0.2909473E-16 GRAD(Rho)z -0.2387913E-16 Laplacian 0.1722858E+00 (-1/4)Del**2(Rho)) -0.4307146E-01 Diamond 0.7239904E-01 Metallicity 0.1972003E+01 Ellipticity 0.1217624E-01 Gb(Abramov) 0.4287047E-01 Vb(Abramov) -0.4266949E-01 Hb(Abramov) 0.2009811E-03 Ex_ueg -0.1053627E-01 Ec_ueg -0.1938792E-02 Delta_ex -0.1380137E-01 Delta_ec 0.5646963E-02 Delta_et -0.5666726E-01 Pxc 0.5434449E+01 Qxc -0.2444033E+01 3,-1 94 3 -1 -1.819816 -0.635776 -1.845304 Rho 0.4461519E-01 |GRAD(Rho)| 0.1137414E-15 GRAD(Rho)x 0.1114966E-15 GRAD(Rho)y 0.1161028E-16 GRAD(Rho)z 0.1925645E-16 Laplacian 0.1903547E+00 (-1/4)Del**2(Rho)) -0.4758868E-01 Diamond 0.9066001E-01 Metallicity 0.2031674E+01 Ellipticity 0.2576210E-01 Gb(Abramov) 0.4783990E-01 Vb(Abramov) -0.4809113E-01 Hb(Abramov) -0.2512226E-03 Ex_ueg -0.1168679E-01 Ec_ueg -0.2119458E-02 Delta_ex -0.1562920E-01 Delta_ec 0.6394238E-02 Delta_et -0.6557062E-01 Pxc 0.5514049E+01 Qxc -0.2444264E+01 3,-1 95 3 -1 -2.078573 -3.205511 -0.753701 Rho 0.1129759E+00 |GRAD(Rho)| 0.3966835E-15 GRAD(Rho)x -0.2307386E-15 GRAD(Rho)y 0.2830581E-15 GRAD(Rho)z 0.1549054E-15 Laplacian 0.4352868E+00 (-1/4)Del**2(Rho)) -0.1088217E+00 Diamond 0.6567450E+00 Metallicity 0.4179724E+01 Ellipticity 0.8734517E-01 Gb(Abramov) 0.1483552E+00 Vb(Abramov) -0.1878888E+00 Hb(Abramov) -0.3953354E-01 Ex_ueg -0.4033663E-01 Ec_ueg -0.6117579E-02 Delta_ex -0.4408308E-01 Delta_ec 0.1257862E-01 Delta_et -0.1610810E+00 Pxc 0.6593561E+01 Qxc -0.3504602E+01 3,-1 96 3 -1 -1.905199 -2.823442 0.609733 Rho 0.1189480E+00 |GRAD(Rho)| 0.3214433E-13 GRAD(Rho)x -0.2044499E-13 GRAD(Rho)y 0.2410695E-13 GRAD(Rho)z 0.5840800E-14 Laplacian 0.5003529E+00 (-1/4)Del**2(Rho)) -0.1250882E+00 Diamond 0.7897797E+00 Metallicity 0.3962161E+01 Ellipticity 0.3306984E-01 Gb(Abramov) 0.1659954E+00 Vb(Abramov) -0.2069026E+00 Hb(Abramov) -0.4090720E-01 Ex_ueg -0.4320440E-01 Ec_ueg -0.6486512E-02 Delta_ex -0.5110487E-01 Delta_ec 0.1396764E-01 Delta_et -0.1801351E+00 Pxc 0.6660653E+01 Qxc -0.3658804E+01 3,-1 97 3 +1 -1.420692 1.072615 2.216806 Rho 0.2469660E-01 |GRAD(Rho)| 0.1572522E-12 GRAD(Rho)x 0.9904493E-13 GRAD(Rho)y 0.1166767E-12 GRAD(Rho)z 0.3612342E-13 Laplacian 0.9295260E-01 (-1/4)Del**2(Rho)) -0.2323815E-01 Diamond 0.1117766E-01 Metallicity 0.1552673E+01 Ellipticity -0.3002352E+01 Gb(Abramov) 0.2150564E-01 Vb(Abramov) -0.1977314E-01 Hb(Abramov) 0.1732507E-02 Ex_ueg -0.5311712E-02 Ec_ueg -0.1073450E-02 Delta_ex -0.5676574E-02 Delta_ec 0.1424222E-02 Delta_et -0.1257117E-01 Pxc 0.4948260E+01 Qxc -0.3985737E+01 3,+1 98 3 -1 -1.753930 1.705687 0.537770 Rho 0.4807473E-01 |GRAD(Rho)| 0.2806559E-15 GRAD(Rho)x -0.2404015E-15 GRAD(Rho)y 0.1241280E-15 GRAD(Rho)z -0.7461301E-16 Laplacian 0.1889233E+00 (-1/4)Del**2(Rho)) -0.4723083E-01 Diamond 0.8995699E-01 Metallicity 0.2318403E+01 Ellipticity 0.1316660E-01 Gb(Abramov) 0.4973724E-01 Vb(Abramov) -0.5224365E-01 Hb(Abramov) -0.2506409E-02 Ex_ueg -0.1291043E-01 Ec_ueg -0.2308732E-02 Delta_ex -0.1536004E-01 Delta_ec 0.5563091E-02 Delta_et -0.5804444E-01 Pxc 0.5592003E+01 Qxc -0.2761063E+01 3,-1 99 3 +1 -2.057300 2.076992 2.085390 Rho 0.1195210E-01 |GRAD(Rho)| 0.6230849E-13 GRAD(Rho)x 0.5818451E-13 GRAD(Rho)y 0.1556294E-13 GRAD(Rho)z 0.1595950E-13 Laplacian 0.5437801E-01 (-1/4)Del**2(Rho)) -0.1359450E-01 Diamond 0.1713238E-02 Metallicity 0.7917660E+00 Ellipticity -0.1139669E+01 Gb(Abramov) 0.1085695E-01 Vb(Abramov) -0.8119389E-02 Hb(Abramov) 0.2737557E-02 Ex_ueg -0.2018261E-02 Ec_ueg -0.4573582E-03 Delta_ex -0.2538268E-02 Delta_ec 0.4704501E-03 Delta_et -0.3705406E-02 Pxc 0.4412867E+01 Qxc -0.5395403E+01 3,+1 100 3 +3 -0.085876 -2.437315 -0.119432 Rho 0.3669101E-02 |GRAD(Rho)| 0.2193796E-15 GRAD(Rho)x -0.1394560E-15 GRAD(Rho)y 0.1131113E-15 GRAD(Rho)z -0.1260368E-15 Laplacian 0.1436375E-01 (-1/4)Del**2(Rho)) -0.3590938E-02 Diamond 0.9240081E-04 Metallicity 0.4187403E+00 Ellipticity -0.3142270E+00 Gb(Abramov) 0.2644570E-02 Vb(Abramov) -0.1698203E-02 Hb(Abramov) 0.9463675E-03 Ex_ueg -0.4179567E-03 Ec_ueg -0.9009622E-04 Delta_ex -0.4932312E-03 Delta_ec 0.1300787E-03 Delta_et -0.7767871E-03 Pxc 0.4639003E+01 Qxc -0.3791790E+01 3,+3 101 3 +1 0.041125 -3.052930 0.058384 Rho 0.4349080E-02 |GRAD(Rho)| 0.1127238E-16 GRAD(Rho)x 0.9662380E-17 GRAD(Rho)y -0.7605286E-18 GRAD(Rho)z 0.5755571E-17 Laplacian 0.1657337E-01 (-1/4)Del**2(Rho)) -0.4143341E-02 Diamond 0.3065187E-03 Metallicity 0.4817978E+00 Ellipticity -0.2634631E+01 Gb(Abramov) 0.3094936E-02 Vb(Abramov) -0.2046531E-02 Hb(Abramov) 0.1048405E-02 Ex_ueg -0.5243021E-03 Ec_ueg -0.1190095E-03 Delta_ex -0.7867924E-03 Delta_ec 0.4940809E-03 Delta_et -0.2584436E-02 Pxc 0.4405548E+01 Qxc -0.1592436E+01 3,+1 102 3 +1 -0.648880 -1.690554 0.545873 Rho 0.8387446E-02 |GRAD(Rho)| 0.1713322E-14 GRAD(Rho)x -0.4518898E-15 GRAD(Rho)y 0.8966518E-15 GRAD(Rho)z -0.1388267E-14 Laplacian 0.3053208E-01 (-1/4)Del**2(Rho)) -0.7633019E-02 Diamond 0.7967667E-03 Metallicity 0.7814594E+00 Ellipticity -0.1531742E+01 Gb(Abramov) 0.6082829E-02 Vb(Abramov) -0.4532638E-02 Hb(Abramov) 0.1550191E-02 Ex_ueg -0.1258611E-02 Ec_ueg -0.2954799E-03 Delta_ex -0.1389325E-02 Delta_ec 0.4355272E-03 Delta_et -0.2952878E-02 Pxc 0.4259547E+01 Qxc -0.3189985E+01 3,+1 103 3 +1 2.165419 -1.132240 1.349527 Rho 0.2412355E-01 |GRAD(Rho)| 0.2883330E-16 GRAD(Rho)x -0.2683624E-16 GRAD(Rho)y 0.6329954E-17 GRAD(Rho)z 0.8432507E-17 Laplacian 0.9139416E-01 (-1/4)Del**2(Rho)) -0.2284854E-01 Diamond 0.1171229E-01 Metallicity 0.1518553E+01 Ellipticity -0.4922933E+01 Gb(Abramov) 0.2101515E-01 Vb(Abramov) -0.1918176E-01 Hb(Abramov) 0.1833392E-02 Ex_ueg -0.5148018E-02 Ec_ueg -0.1044688E-02 Delta_ex -0.5668166E-02 Delta_ec 0.1618387E-02 Delta_et -0.1414398E-01 Pxc 0.4927803E+01 Qxc -0.3502355E+01 3,+1 104 3 +1 1.023134 -2.224601 1.430301 Rho 0.2513282E-01 |GRAD(Rho)| 0.1436268E-16 GRAD(Rho)x 0.1715910E-17 GRAD(Rho)y -0.3164607E-17 GRAD(Rho)z -0.1390422E-16 Laplacian 0.9534739E-01 (-1/4)Del**2(Rho)) -0.2383685E-01 Diamond 0.1144143E-01 Metallicity 0.1558499E+01 Ellipticity -0.2743209E+01 Gb(Abramov) 0.2208285E-01 Vb(Abramov) -0.2032885E-01 Hb(Abramov) 0.1754001E-02 Ex_ueg -0.5437176E-02 Ec_ueg -0.1095404E-02 Delta_ex -0.5817682E-02 Delta_ec 0.1402279E-02 Delta_et -0.1244344E-01 Pxc 0.4963627E+01 Qxc -0.4148734E+01 3,+1 105 3 +1 1.785994 1.820113 1.805158 Rho 0.1152574E-01 |GRAD(Rho)| 0.3340564E-16 GRAD(Rho)x -0.7149511E-17 GRAD(Rho)y -0.1470296E-16 GRAD(Rho)z 0.2913150E-16 Laplacian 0.5420643E-01 (-1/4)Del**2(Rho)) -0.1355161E-01 Diamond 0.1959218E-02 Metallicity 0.7476133E+00 Ellipticity -0.1256465E+01 Gb(Abramov) 0.1072297E-01 Vb(Abramov) -0.7894323E-02 Hb(Abramov) 0.2828642E-02 Ex_ueg -0.1922841E-02 Ec_ueg -0.4377200E-03 Delta_ex -0.2607057E-02 Delta_ec 0.6513199E-03 Delta_et -0.4876810E-02 Pxc 0.4392857E+01 Qxc -0.4002729E+01 3,+1 106 3 +1 1.702335 0.525589 0.547137 Rho 0.6692433E-02 |GRAD(Rho)| 0.1717856E-12 GRAD(Rho)x 0.6989328E-13 GRAD(Rho)y -0.1520337E-12 GRAD(Rho)z -0.3887089E-13 Laplacian 0.2498218E-01 (-1/4)Del**2(Rho)) -0.6245546E-02 Diamond 0.4747371E-03 Metallicity 0.6555756E+00 Ellipticity -0.1394508E+01 Gb(Abramov) 0.4846102E-02 Vb(Abramov) -0.3446658E-02 Hb(Abramov) 0.1399444E-02 Ex_ueg -0.9314590E-03 Ec_ueg -0.2204567E-03 Delta_ex -0.1071521E-02 Delta_ec 0.3509162E-03 Delta_et -0.2248087E-02 Pxc 0.4225134E+01 Qxc -0.3053496E+01 3,+1 107 3 +3 1.109818 1.085820 1.093750 Rho 0.4132599E-02 |GRAD(Rho)| 0.4053467E-15 GRAD(Rho)x -0.1986442E-15 GRAD(Rho)y -0.2811435E-15 GRAD(Rho)z 0.2140204E-15 Laplacian 0.1559297E-01 (-1/4)Del**2(Rho)) -0.3898242E-02 Diamond 0.8927103E-04 Metallicity 0.4703160E+00 Ellipticity -0.8742809E-01 Gb(Abramov) 0.2904396E-02 Vb(Abramov) -0.1910549E-02 Hb(Abramov) 0.9938465E-03 Ex_ueg -0.4897970E-03 Ec_ueg -0.1097781E-03 Delta_ex -0.5175541E-03 Delta_ec 0.8013043E-04 Delta_et -0.5798037E-03 Pxc 0.4461699E+01 Qxc -0.6458895E+01 3,+3 108 3 -1 -0.836736 3.026162 2.019374 Rho 0.1396790E+00 |GRAD(Rho)| 0.4729598E-14 GRAD(Rho)x 0.3191620E-14 GRAD(Rho)y -0.1664203E-14 GRAD(Rho)z 0.3068075E-14 Laplacian 0.5423398E+00 (-1/4)Del**2(Rho)) -0.1355850E+00 Diamond 0.1007947E+01 Metallicity 0.4777790E+01 Ellipticity 0.3252311E-01 Gb(Abramov) 0.1983561E+00 Vb(Abramov) -0.2611272E+00 Hb(Abramov) -0.6277110E-01 Ex_ueg -0.5352542E-01 Ec_ueg -0.7786134E-02 Delta_ex -0.5722525E-01 Delta_ec 0.1398595E-01 Delta_et -0.1842273E+00 Pxc 0.6874454E+01 Qxc -0.4091625E+01 3,-1 109 3 -1 -0.010170 3.010438 0.046375 Rho 0.5997038E-02 |GRAD(Rho)| 0.1418086E-16 GRAD(Rho)x 0.1092404E-16 GRAD(Rho)y 0.1803786E-17 GRAD(Rho)z 0.8860507E-17 Laplacian 0.2354938E-01 (-1/4)Del**2(Rho)) -0.5887345E-02 Diamond 0.8074867E-03 Metallicity 0.5792442E+00 Ellipticity 0.1807044E+01 Gb(Abramov) 0.4493265E-02 Vb(Abramov) -0.3099185E-02 Hb(Abramov) 0.1394080E-02 Ex_ueg -0.8047003E-03 Ec_ueg -0.1900686E-03 Delta_ex -0.1290585E-02 Delta_ec 0.8796465E-03 Delta_et -0.4990347E-02 Pxc 0.4233737E+01 Qxc -0.1467164E+01 3,-1 110 3 -1 0.407627 -0.530763 0.422664 Rho 0.1775324E+00 |GRAD(Rho)| 0.3555125E-16 GRAD(Rho)x 0.2775558E-16 GRAD(Rho)y -0.1734723E-16 GRAD(Rho)z 0.1387779E-16 Laplacian 0.4544055E+00 (-1/4)Del**2(Rho)) -0.1136014E+00 Diamond 0.1149786E+01 Metallicity 0.8504181E+01 Ellipticity 0.3642924E-02 Gb(Abramov) 0.2367487E+00 Vb(Abramov) -0.3598960E+00 Hb(Abramov) -0.1231473E+00 Ex_ueg -0.7369229E-01 Ec_ueg -0.1022871E-01 Delta_ex -0.5106410E-01 Delta_ec 0.1136215E-01 Delta_et -0.1553739E+00 Pxc 0.7204456E+01 Qxc -0.4494230E+01 3,-1 111 3 +1 -0.591832 -0.599948 1.736514 Rho 0.7088878E-02 |GRAD(Rho)| 0.9701759E-16 GRAD(Rho)x -0.4555963E-16 GRAD(Rho)y 0.1531647E-16 GRAD(Rho)z -0.8427419E-16 Laplacian 0.2586455E-01 (-1/4)Del**2(Rho)) -0.6466137E-02 Diamond 0.5092991E-03 Metallicity 0.6969539E+00 Ellipticity -0.1393521E+01 Gb(Abramov) 0.5061858E-02 Vb(Abramov) -0.3657579E-02 Hb(Abramov) 0.1404279E-02 Ex_ueg -0.1005746E-02 Ec_ueg -0.2378844E-03 Delta_ex -0.1112382E-02 Delta_ec 0.3402228E-03 Delta_et -0.2232292E-02 Pxc 0.4227878E+01 Qxc -0.3269570E+01 3,+1 112 3 -1 -0.523284 0.424857 0.443062 Rho 0.1719467E+00 |GRAD(Rho)| 0.9916794E-16 GRAD(Rho)x 0.7632783E-16 GRAD(Rho)y -0.1040834E-16 GRAD(Rho)z -0.6245005E-16 Laplacian 0.4310361E+00 (-1/4)Del**2(Rho)) -0.1077590E+00 Diamond 0.1051262E+01 Metallicity 0.8500070E+01 Ellipticity 0.7390590E-02 Gb(Abramov) 0.2244992E+00 Vb(Abramov) -0.3412394E+00 Hb(Abramov) -0.1167402E+00 Ex_ueg -0.7061714E-01 Ec_ueg -0.9862920E-02 Delta_ex -0.4806732E-01 Delta_ec 0.1089176E-01 Delta_et -0.1484430E+00 Pxc 0.7159861E+01 Qxc -0.4413181E+01 3,-1 113 3 +3 1.913782 -1.940527 1.957588 Rho 0.1128775E-01 |GRAD(Rho)| 0.9514965E-17 GRAD(Rho)x 0.7282903E-17 GRAD(Rho)y -0.5529429E-17 GRAD(Rho)z 0.2630457E-17 Laplacian 0.4734644E-01 (-1/4)Del**2(Rho)) -0.1183661E-01 Diamond 0.9438047E-03 Metallicity 0.8266813E+00 Ellipticity -0.7827242E+00 Gb(Abramov) 0.9521923E-02 Vb(Abramov) -0.7207238E-02 Hb(Abramov) 0.2314686E-02 Ex_ueg -0.1870086E-02 Ec_ueg -0.4267897E-03 Delta_ex -0.2039049E-02 Delta_ec 0.1663019E-03 Delta_et -0.1583716E-02 Pxc 0.4381751E+01 Qxc -0.1226112E+02 3,+3 114 3 -1 -0.570973 1.770533 -2.785844 Rho 0.1624842E+00 |GRAD(Rho)| 0.1710822E-13 GRAD(Rho)x -0.1643306E-13 GRAD(Rho)y 0.1661811E-15 GRAD(Rho)z 0.4755833E-14 Laplacian 0.6852085E+00 (-1/4)Del**2(Rho)) -0.1713021E+00 Diamond 0.1506880E+01 Metallicity 0.4865666E+01 Ellipticity 0.1470623E-01 Gb(Abramov) 0.2531179E+00 Vb(Abramov) -0.3349337E+00 Hb(Abramov) -0.8181578E-01 Ex_ueg -0.6548370E-01 Ec_ueg -0.9247414E-02 Delta_ex -0.7485943E-01 Delta_ec 0.1669358E-01 Delta_et -0.2236888E+00 Pxc 0.7081299E+01 Qxc -0.4484323E+01 3,-1 115 3 -1 -0.537303 1.736977 1.757880 Rho 0.4131049E-01 |GRAD(Rho)| 0.3129324E-13 GRAD(Rho)x 0.1122260E-13 GRAD(Rho)y 0.2069571E-13 GRAD(Rho)z 0.2061571E-13 Laplacian 0.1617548E+00 (-1/4)Del**2(Rho)) -0.4043871E-01 Diamond 0.6215431E-01 Metallicity 0.2103083E+01 Ellipticity 0.1618001E-01 Gb(Abramov) 0.4113346E-01 Vb(Abramov) -0.4182822E-01 Hb(Abramov) -0.6947584E-03 Ex_ueg -0.1054708E-01 Ec_ueg -0.1940503E-02 Delta_ex -0.1263271E-01 Delta_ec 0.4717106E-02 Delta_et -0.4727331E-01 Pxc 0.5435229E+01 Qxc -0.2678064E+01 3,-1 116 3 +3 -0.001548 -0.045725 2.381164 Rho 0.3825577E-02 |GRAD(Rho)| 0.1962710E-16 GRAD(Rho)x 0.1149896E-16 GRAD(Rho)y -0.7996589E-17 GRAD(Rho)z -0.1374959E-16 Laplacian 0.1506947E-01 (-1/4)Del**2(Rho)) -0.3767366E-02 Diamond 0.9703559E-04 Metallicity 0.4279012E+00 Ellipticity -0.2102792E+00 Gb(Abramov) 0.2780254E-02 Vb(Abramov) -0.1793142E-02 Hb(Abramov) 0.9871120E-03 Ex_ueg -0.4418901E-03 Ec_ueg -0.9672804E-04 Delta_ex -0.5155722E-03 Delta_ec 0.1233342E-03 Delta_et -0.7628860E-03 Pxc 0.4568377E+01 Qxc -0.4180287E+01 3,+3 117 3 -1 0.550913 2.834309 1.844183 Rho 0.1502635E+00 |GRAD(Rho)| 0.3838404E-15 GRAD(Rho)x -0.1660998E-15 GRAD(Rho)y 0.1288913E-15 GRAD(Rho)z 0.3211407E-15 Laplacian 0.6166778E+00 (-1/4)Del**2(Rho)) -0.1541694E+00 Diamond 0.1247204E+01 Metallicity 0.4745811E+01 Ellipticity 0.1232923E-01 Gb(Abramov) 0.2247228E+00 Vb(Abramov) -0.2952762E+00 Hb(Abramov) -0.7055337E-01 Ex_ueg -0.5900057E-01 Ec_ueg -0.8460381E-02 Delta_ex -0.6620298E-01 Delta_ec 0.1554869E-01 Delta_et -0.2068238E+00 Pxc 0.6973749E+01 Qxc -0.4257784E+01 3,-1 118 3 -1 -0.621812 -1.839088 2.914186 Rho 0.1202996E+00 |GRAD(Rho)| 0.1113201E-15 GRAD(Rho)x 0.6760001E-16 GRAD(Rho)y 0.4106416E-17 GRAD(Rho)z -0.8834892E-16 Laplacian 0.5038112E+00 (-1/4)Del**2(Rho)) -0.1259528E+00 Diamond 0.8062058E+00 Metallicity 0.4009763E+01 Ellipticity 0.2084135E-01 Gb(Abramov) 0.1681420E+00 Vb(Abramov) -0.2103312E+00 Hb(Abramov) -0.4218922E-01 Ex_ueg -0.4386018E-01 Ec_ueg -0.6570355E-02 Delta_ex -0.5159679E-01 Delta_ec 0.1402992E-01 Delta_et -0.1813143E+00 Pxc 0.6675466E+01 Qxc -0.3677624E+01 3,-1 119 3 -1 0.130915 -2.025950 -1.059438 Rho 0.6952923E-02 |GRAD(Rho)| 0.2035045E-16 GRAD(Rho)x 0.1531878E-16 GRAD(Rho)y -0.1338739E-16 GRAD(Rho)z -0.5035421E-18 Laplacian 0.2601992E-01 (-1/4)Del**2(Rho)) -0.6504979E-02 Diamond 0.1063395E-02 Metallicity 0.6707896E+00 Ellipticity 0.6453956E+00 Gb(Abramov) 0.5063898E-02 Vb(Abramov) -0.3622817E-02 Hb(Abramov) 0.1441081E-02 Ex_ueg -0.9801104E-03 Ec_ueg -0.2318995E-03 Delta_ex -0.1451255E-02 Delta_ec 0.9450654E-03 Delta_et -0.5616595E-02 Pxc 0.4226445E+01 Qxc -0.1535614E+01 3,-1 120 3 +1 0.393314 -1.802961 -0.743120 Rho 0.6533890E-02 |GRAD(Rho)| 0.2674499E-14 GRAD(Rho)x 0.6136843E-15 GRAD(Rho)y 0.1498971E-14 GRAD(Rho)z 0.2128244E-14 Laplacian 0.2456038E-01 (-1/4)Del**2(Rho)) -0.6140096E-02 Diamond 0.6182206E-03 Metallicity 0.6407142E+00 Ellipticity -0.1937932E+01 Gb(Abramov) 0.4749072E-02 Vb(Abramov) -0.3358048E-02 Hb(Abramov) 0.1391024E-02 Ex_ueg -0.9021543E-03 Ec_ueg -0.2135080E-03 Delta_ex -0.1155393E-02 Delta_ec 0.5381421E-03 Delta_et -0.3257778E-02 Pxc 0.4225388E+01 Qxc -0.2147003E+01 3,+1 121 3 -1 -0.624767 -2.818213 1.878305 Rho 0.1352176E+00 |GRAD(Rho)| 0.4413895E-15 GRAD(Rho)x 0.4275551E-15 GRAD(Rho)y 0.4235842E-16 GRAD(Rho)z -0.1011290E-15 Laplacian 0.5738171E+00 (-1/4)Del**2(Rho)) -0.1434543E+00 Diamond 0.1045381E+01 Metallicity 0.4277879E+01 Ellipticity 0.7029997E-02 Gb(Abramov) 0.1979162E+00 Vb(Abramov) -0.2523781E+00 Hb(Abramov) -0.5446192E-01 Ex_ueg -0.5125813E-01 Ec_ueg -0.7504054E-02 Delta_ex -0.6029647E-01 Delta_ec 0.1531744E-01 Delta_et -0.2015622E+00 Pxc 0.6830725E+01 Qxc -0.3936458E+01 3,-1 122 3 -1 0.227552 -1.255765 -1.928861 Rho 0.5956693E-02 |GRAD(Rho)| 0.6291671E-17 GRAD(Rho)x -0.6201697E-17 GRAD(Rho)y 0.9383680E-18 GRAD(Rho)z 0.4935027E-18 Laplacian 0.2311582E-01 (-1/4)Del**2(Rho)) -0.5778955E-02 Diamond 0.8187267E-03 Metallicity 0.5835067E+00 Ellipticity 0.4370947E+00 Gb(Abramov) 0.4414646E-02 Vb(Abramov) -0.3050338E-02 Hb(Abramov) 0.1364308E-02 Ex_ueg -0.7974901E-03 Ec_ueg -0.1883127E-03 Delta_ex -0.1289692E-02 Delta_ec 0.9071206E-03 Delta_et -0.5121116E-02 Pxc 0.4234925E+01 Qxc -0.1421742E+01 3,-1 123 3 +3 -0.343984 -0.663851 -2.873633 Rho 0.2866858E-02 |GRAD(Rho)| 0.3582189E-17 GRAD(Rho)x -0.2545049E-17 GRAD(Rho)y 0.1384954E-17 GRAD(Rho)z 0.2106348E-17 Laplacian 0.1025986E-01 (-1/4)Del**2(Rho)) -0.2564965E-02 Diamond 0.6645752E-04 Metallicity 0.3885812E+00 Ellipticity -0.2389089E+00 Gb(Abramov) 0.1876093E-02 Vb(Abramov) -0.1187221E-02 Hb(Abramov) 0.6888722E-03 Ex_ueg -0.3007876E-03 Ec_ueg -0.5630262E-04 Delta_ex -0.3687629E-03 Delta_ec 0.1596457E-03 Delta_et -0.8007508E-03 Pxc 0.5342337E+01 Qxc -0.2309884E+01 3,+3 124 3 +1 0.236287 3.015450 -0.194798 Rho 0.5850603E-02 |GRAD(Rho)| 0.9141591E-17 GRAD(Rho)x 0.8517876E-17 GRAD(Rho)y -0.5270668E-18 GRAD(Rho)z 0.3276686E-17 Laplacian 0.2365465E-01 (-1/4)Del**2(Rho)) -0.5913663E-02 Diamond 0.5776092E-03 Metallicity 0.5533896E+00 Ellipticity -0.2005912E+01 Gb(Abramov) 0.4487869E-02 Vb(Abramov) -0.3062074E-02 Hb(Abramov) 0.1425795E-02 Ex_ueg -0.7786087E-03 Ec_ueg -0.1836994E-03 Delta_ex -0.1134538E-02 Delta_ec 0.6052878E-03 Delta_et -0.3501040E-02 Pxc 0.4238493E+01 Qxc -0.1874379E+01 3,+1 125 3 +1 2.061116 2.005184 -2.034404 Rho 0.1145978E-01 |GRAD(Rho)| 0.1468211E-16 GRAD(Rho)x 0.4068243E-17 GRAD(Rho)y -0.1377327E-16 GRAD(Rho)z 0.3051397E-17 Laplacian 0.4869312E-01 (-1/4)Del**2(Rho)) -0.1217328E-01 Diamond 0.1322632E-02 Metallicity 0.8243391E+00 Ellipticity -0.1104800E+01 Gb(Abramov) 0.9788005E-02 Vb(Abramov) -0.7402730E-02 Hb(Abramov) 0.2385275E-02 Ex_ueg -0.1908183E-02 Ec_ueg -0.4346882E-03 Delta_ex -0.2208189E-02 Delta_ec 0.3527285E-03 Delta_et -0.2834948E-02 Pxc 0.4389773E+01 Qxc -0.6260307E+01 3,+1 126 3 +1 0.490071 -0.813573 -1.781647 Rho 0.5409723E-02 |GRAD(Rho)| 0.5562596E-17 GRAD(Rho)x 0.2486125E-17 GRAD(Rho)y 0.4031045E-17 GRAD(Rho)z -0.2917590E-17 Laplacian 0.2060467E-01 (-1/4)Del**2(Rho)) -0.5151168E-02 Diamond 0.4001568E-03 Metallicity 0.5575354E+00 Ellipticity -0.1697168E+01 Gb(Abramov) 0.3912772E-02 Vb(Abramov) -0.2674376E-02 Hb(Abramov) 0.1238396E-02 Ex_ueg -0.7013773E-03 Ec_ueg -0.1645872E-03 Delta_ex -0.9281792E-03 Delta_ec 0.4487810E-03 Delta_et -0.2575655E-02 Pxc 0.4261432E+01 Qxc -0.2068223E+01 3,+1 127 3 -1 -0.071074 -3.284100 3.276086 Rho 0.1954099E+00 |GRAD(Rho)| 0.1236757E-14 GRAD(Rho)x -0.7371897E-15 GRAD(Rho)y 0.8242647E-15 GRAD(Rho)z 0.5538105E-15 Laplacian 0.7415455E+00 (-1/4)Del**2(Rho)) -0.1853864E+00 Diamond 0.2059014E+01 Metallicity 0.6114855E+01 Ellipticity 0.4015952E-02 Gb(Abramov) 0.3125261E+00 Vb(Abramov) -0.4396658E+00 Hb(Abramov) -0.1271397E+00 Ex_ueg -0.8374915E-01 Ec_ueg -0.1141143E-01 Delta_ex -0.8504081E-01 Delta_ec 0.1749898E-01 Delta_et -0.2398776E+00 Pxc 0.7339056E+01 Qxc -0.4859759E+01 3,-1 128 3 -1 0.031472 -3.350086 -1.249974 Rho 0.2479889E-01 |GRAD(Rho)| 0.2098742E-16 GRAD(Rho)x 0.1903048E-16 GRAD(Rho)y 0.7663876E-17 GRAD(Rho)z -0.4424662E-17 Laplacian 0.8183886E-01 (-1/4)Del**2(Rho)) -0.2045972E-01 Diamond 0.2404459E-01 Metallicity 0.1775718E+01 Ellipticity 0.1063106E-01 Gb(Abramov) 0.1969493E-01 Vb(Abramov) -0.1893014E-01 Hb(Abramov) 0.7647896E-03 Ex_ueg -0.5341068E-02 Ec_ueg -0.1078594E-02 Delta_ex -0.6556550E-02 Delta_ec 0.4026835E-02 Delta_et -0.3484860E-01 Pxc 0.4951880E+01 Qxc -0.1628214E+01 3,-1 129 3 +1 1.320356 -1.137891 2.192564 Rho 0.2338861E-01 |GRAD(Rho)| 0.4242309E-16 GRAD(Rho)x 0.1507210E-16 GRAD(Rho)y -0.4826457E-17 GRAD(Rho)z 0.3936058E-16 Laplacian 0.8546121E-01 (-1/4)Del**2(Rho)) -0.2136530E-01 Diamond 0.1054926E-01 Metallicity 0.1542357E+01 Ellipticity -0.6301083E+01 Gb(Abramov) 0.1973569E-01 Vb(Abramov) -0.1810608E-01 Hb(Abramov) 0.1629613E-02 Ex_ueg -0.4939971E-02 Ec_ueg -0.1007931E-02 Delta_ex -0.5263363E-02 Delta_ec 0.1524638E-02 Delta_et -0.1321896E-01 Pxc 0.4901102E+01 Qxc -0.3452205E+01 3,+1 130 3 -1 0.486865 -1.764265 1.743754 Rho 0.4087223E-01 |GRAD(Rho)| 0.5215303E-13 GRAD(Rho)x -0.3700147E-13 GRAD(Rho)y 0.2443609E-13 GRAD(Rho)z 0.2745372E-13 Laplacian 0.1713485E+00 (-1/4)Del**2(Rho)) -0.4283713E-01 Diamond 0.7109086E-01 Metallicity 0.1950354E+01 Ellipticity 0.1995239E-01 Gb(Abramov) 0.4248268E-01 Vb(Abramov) -0.4212823E-01 Hb(Abramov) 0.3544481E-03 Ex_ueg -0.1039815E-01 Ec_ueg -0.1916913E-02 Delta_ex -0.1369594E-01 Delta_ec 0.5621286E-02 Delta_et -0.5625709E-01 Pxc 0.5424425E+01 Qxc -0.2436442E+01 3,-1 131 3 -1 1.830006 0.576178 2.827178 Rho 0.9961678E-01 |GRAD(Rho)| 0.2689095E-13 GRAD(Rho)x -0.2223482E-14 GRAD(Rho)y -0.2570288E-13 GRAD(Rho)z 0.7585587E-14 Laplacian 0.4291705E+00 (-1/4)Del**2(Rho)) -0.1072926E+00 Diamond 0.5510790E+00 Metallicity 0.3437194E+01 Ellipticity 0.1731344E-01 Gb(Abramov) 0.1329927E+00 Vb(Abramov) -0.1586928E+00 Hb(Abramov) -0.2570006E-01 Ex_ueg -0.3410581E-01 Ec_ueg -0.5301844E-02 Delta_ex -0.4212645E-01 Delta_ec 0.1258457E-01 Delta_et -0.1569436E+00 Pxc 0.6432821E+01 Qxc -0.3347469E+01 3,-1 132 3 -1 0.516876 1.672016 -1.749548 Rho 0.5095315E-01 |GRAD(Rho)| 0.6374634E-16 GRAD(Rho)x 0.3445836E-16 GRAD(Rho)y -0.3073883E-16 GRAD(Rho)z 0.4394703E-16 Laplacian 0.2017848E+00 (-1/4)Del**2(Rho)) -0.5044620E-01 Diamond 0.1042389E+00 Metallicity 0.2391534E+01 Ellipticity 0.1422193E-01 Gb(Abramov) 0.5373809E-01 Vb(Abramov) -0.5702999E-01 Hb(Abramov) -0.3291896E-02 Ex_ueg -0.1395125E-01 Ec_ueg -0.2467628E-02 Delta_ex -0.1665873E-01 Delta_ec 0.5958161E-02 Delta_et -0.6312164E-01 Pxc 0.5653709E+01 Qxc -0.2795951E+01 3,-1 133 3 +1 1.467039 0.980834 -2.202688 Rho 0.2544181E-01 |GRAD(Rho)| 0.3576774E-14 GRAD(Rho)x 0.3463841E-14 GRAD(Rho)y 0.3550774E-15 GRAD(Rho)z 0.8179447E-15 Laplacian 0.9666252E-01 (-1/4)Del**2(Rho)) -0.2416563E-01 Diamond 0.1111683E-01 Metallicity 0.1568924E+01 Ellipticity -0.2347548E+01 Gb(Abramov) 0.2242942E-01 Vb(Abramov) -0.2069322E-01 Hb(Abramov) 0.1736205E-02 Ex_ueg -0.5526487E-02 Ec_ueg -0.1110984E-02 Delta_ex -0.5845495E-02 Delta_ec 0.1292846E-02 Delta_et -0.1153738E-01 Pxc 0.4974405E+01 Qxc -0.4521416E+01 3,+1 134 3 -1 0.563702 1.852104 2.831340 Rho 0.1601043E+00 |GRAD(Rho)| 0.1162768E-15 GRAD(Rho)x 0.9172350E-16 GRAD(Rho)y 0.5599904E-16 GRAD(Rho)z -0.4439808E-16 Laplacian 0.6558336E+00 (-1/4)Del**2(Rho)) -0.1639584E+00 Diamond 0.1424371E+01 Metallicity 0.4960108E+01 Ellipticity 0.1589576E-01 Gb(Abramov) 0.2448475E+00 Vb(Abramov) -0.3257366E+00 Hb(Abramov) -0.8088909E-01 Ex_ueg -0.6420798E-01 Ec_ueg -0.9093440E-02 Delta_ex -0.7145507E-01 Delta_ec 0.1615954E-01 Delta_et -0.2164608E+00 Pxc 0.7060912E+01 Qxc -0.4421849E+01 3,-1 135 3 -1 -0.094489 3.150598 -3.220391 Rho 0.2207249E+00 |GRAD(Rho)| 0.1091417E-13 GRAD(Rho)x 0.2303388E-14 GRAD(Rho)y -0.7175196E-14 GRAD(Rho)z 0.7894943E-14 Laplacian 0.8224248E+00 (-1/4)Del**2(Rho)) -0.2056062E+00 Diamond 0.2629809E+01 Metallicity 0.6754644E+01 Ellipticity 0.4895543E-02 Gb(Abramov) 0.3685369E+00 Vb(Abramov) -0.5314676E+00 Hb(Abramov) -0.1629307E+00 Ex_ueg -0.9851902E-01 Ec_ueg -0.1311687E-01 Delta_ex -0.9722580E-01 Delta_ec 0.1861436E-01 Delta_et -0.2568656E+00 Pxc 0.7510866E+01 Qxc -0.5223161E+01 3,-1 136 3 -1 0.832976 -2.008912 3.082794 Rho 0.1201411E+00 |GRAD(Rho)| 0.1936493E-15 GRAD(Rho)x -0.1627252E-15 GRAD(Rho)y -0.1036633E-15 GRAD(Rho)z 0.1656796E-16 Laplacian 0.4909788E+00 (-1/4)Del**2(Rho)) -0.1227447E+00 Diamond 0.7779154E+00 Metallicity 0.4105534E+01 Ellipticity 0.5663983E-02 Gb(Abramov) 0.1658185E+00 Vb(Abramov) -0.2088924E+00 Hb(Abramov) -0.4307384E-01 Ex_ueg -0.4378315E-01 Ec_ueg -0.6560516E-02 Delta_ex -0.5017971E-01 Delta_ec 0.1352102E-01 Delta_et -0.1744491E+00 Pxc 0.6673736E+01 Qxc -0.3711236E+01 3,-1 137 3 +1 0.317393 -1.656182 -1.638777 Rho 0.5520116E-02 |GRAD(Rho)| 0.4354987E-17 GRAD(Rho)x -0.1873572E-17 GRAD(Rho)y 0.1949678E-18 GRAD(Rho)z 0.3926528E-17 Laplacian 0.2096622E-01 (-1/4)Del**2(Rho)) -0.5241555E-02 Diamond 0.4426637E-03 Metallicity 0.5666827E+00 Ellipticity -0.1881183E+01 Gb(Abramov) 0.3989420E-02 Vb(Abramov) -0.2737285E-02 Hb(Abramov) 0.1252135E-02 Ex_ueg -0.7205254E-03 Ec_ueg -0.1693637E-03 Delta_ex -0.9683784E-03 Delta_ec 0.4918702E-03 Delta_et -0.2818995E-02 Pxc 0.4254308E+01 Qxc -0.1968768E+01 3,+1 138 3 -1 0.832848 2.975455 -2.025126 Rho 0.1440837E+00 |GRAD(Rho)| 0.1761372E-13 GRAD(Rho)x 0.8762264E-14 GRAD(Rho)y -0.5987737E-14 GRAD(Rho)z 0.1405748E-13 Laplacian 0.5659470E+00 (-1/4)Del**2(Rho)) -0.1414867E+00 Diamond 0.1086789E+01 Metallicity 0.4821647E+01 Ellipticity 0.3028971E-01 Gb(Abramov) 0.2080244E+00 Vb(Abramov) -0.2745620E+00 Hb(Abramov) -0.6653761E-01 Ex_ueg -0.5578766E-01 Ec_ueg -0.8065867E-02 Delta_ex -0.6011781E-01 Delta_ec 0.1439047E-01 Delta_et -0.1902257E+00 Pxc 0.6916511E+01 Qxc -0.4177612E+01 3,-1 139 3 -1 0.073991 3.256162 3.242991 Rho 0.2208134E+00 |GRAD(Rho)| 0.2616003E-12 GRAD(Rho)x -0.3907976E-13 GRAD(Rho)y -0.1890013E-12 GRAD(Rho)z -0.1765957E-12 Laplacian 0.8109227E+00 (-1/4)Del**2(Rho)) -0.2027307E+00 Diamond 0.2602438E+01 Metallicity 0.6855033E+01 Ellipticity 0.1341386E-02 Gb(Abramov) 0.3667747E+00 Vb(Abramov) -0.5308187E+00 Hb(Abramov) -0.1640440E+00 Ex_ueg -0.9857173E-01 Ec_ueg -0.1312289E-01 Delta_ex -0.9592451E-01 Delta_ec 0.1843856E-01 Delta_et -0.2547890E+00 Pxc 0.7511433E+01 Qxc -0.5202387E+01 3,-1 140 3 +1 1.697776 -0.570535 -0.560059 Rho 0.7640605E-02 |GRAD(Rho)| 0.1536808E-16 GRAD(Rho)x -0.2680575E-17 GRAD(Rho)y -0.1095815E-16 GRAD(Rho)z 0.1043607E-16 Laplacian 0.2940488E-01 (-1/4)Del**2(Rho)) -0.7351220E-02 Diamond 0.6626546E-03 Metallicity 0.6946084E+00 Ellipticity -0.1401461E+01 Gb(Abramov) 0.5751850E-02 Vb(Abramov) -0.4152480E-02 Hb(Abramov) 0.1599370E-02 Ex_ueg -0.1111447E-02 Ec_ueg -0.2622608E-03 Delta_ex -0.1300121E-02 Delta_ec 0.4070035E-03 Delta_et -0.2703886E-02 Pxc 0.4237946E+01 Qxc -0.3194374E+01 3,+1 141 3 -1 0.415294 0.409369 -0.517280 Rho 0.1752029E+00 |GRAD(Rho)| 0.1443056E-15 GRAD(Rho)x -0.8673617E-16 GRAD(Rho)y -0.4163336E-16 GRAD(Rho)z 0.1075529E-15 Laplacian 0.4471998E+00 (-1/4)Del**2(Rho)) -0.1118000E+00 Diamond 0.1114347E+01 Metallicity 0.8453053E+01 Ellipticity 0.6702005E-02 Gb(Abramov) 0.2320418E+00 Vb(Abramov) -0.3522836E+00 Hb(Abramov) -0.1202418E+00 Ex_ueg -0.7240580E-01 Ec_ueg -0.1007594E-01 Delta_ex -0.5009376E-01 Delta_ec 0.1122882E-01 Delta_et -0.1533369E+00 Pxc 0.7186012E+01 Qxc -0.4461176E+01 3,-1 142 3 -1 0.863637 -3.043032 2.036260 Rho 0.1057613E+00 |GRAD(Rho)| 0.1325736E-15 GRAD(Rho)x 0.9237403E-16 GRAD(Rho)y 0.2073537E-17 GRAD(Rho)z 0.9507098E-16 Laplacian 0.4352682E+00 (-1/4)Del**2(Rho)) -0.1088170E+00 Diamond 0.5968232E+00 Metallicity 0.3744563E+01 Ellipticity 0.2404195E-01 Gb(Abramov) 0.1404567E+00 Vb(Abramov) -0.1720964E+00 Hb(Abramov) -0.3163969E-01 Ex_ueg -0.3693921E-01 Ec_ueg -0.5675355E-02 Delta_ex -0.4325712E-01 Delta_ec 0.1248720E-01 Delta_et -0.1574917E+00 Pxc 0.6508704E+01 Qxc -0.3464117E+01 3,-1 143 3 -1 1.194348 -2.325849 -2.014082 Rho 0.3821330E-01 |GRAD(Rho)| 0.1086930E-13 GRAD(Rho)x -0.2480310E-14 GRAD(Rho)y -0.1025541E-13 GRAD(Rho)z -0.2610809E-14 Laplacian 0.1138477E+00 (-1/4)Del**2(Rho)) -0.2846192E-01 Diamond 0.5857087E-01 Metallicity 0.2624097E+01 Ellipticity 0.1348545E-01 Gb(Abramov) 0.3142242E-01 Vb(Abramov) -0.3438292E-01 Hb(Abramov) -0.2960498E-02 Ex_ueg -0.9506144E-02 Ec_ueg -0.1774540E-02 Delta_ex -0.9906351E-02 Delta_ec 0.5438876E-02 Delta_et -0.5356248E-01 Pxc 0.5356961E+01 Qxc -0.1821397E+01 3,-1 144 3 +1 1.448878 2.147287 -1.013708 Rho 0.2419958E-01 |GRAD(Rho)| 0.1367722E-16 GRAD(Rho)x -0.6268851E-17 GRAD(Rho)y 0.1156520E-16 GRAD(Rho)z 0.3743551E-17 Laplacian 0.9055228E-01 (-1/4)Del**2(Rho)) -0.2263807E-01 Diamond 0.9506465E-02 Metallicity 0.1540732E+01 Ellipticity -0.2229853E+01 Gb(Abramov) 0.2090524E-01 Vb(Abramov) -0.1917242E-01 Hb(Abramov) 0.1732825E-02 Ex_ueg -0.5169663E-02 Ec_ueg -0.1048499E-02 Delta_ex -0.5376975E-02 Delta_ec 0.1168449E-02 Delta_et -0.1032584E-01 Pxc 0.4930535E+01 Qxc -0.4601805E+01 3,+1 145 3 +1 2.202836 1.334482 -1.127107 Rho 0.2279932E-01 |GRAD(Rho)| 0.2722372E-15 GRAD(Rho)x 0.1577548E-15 GRAD(Rho)y 0.1979492E-15 GRAD(Rho)z 0.1002129E-15 Laplacian 0.8269299E-01 (-1/4)Del**2(Rho)) -0.2067325E-01 Diamond 0.9864021E-02 Metallicity 0.1527616E+01 Ellipticity -0.6324478E+01 Gb(Abramov) 0.1904563E-01 Vb(Abramov) -0.1741801E-01 Hb(Abramov) 0.1627617E-02 Ex_ueg -0.4774717E-02 Ec_ueg -0.9785646E-03 Delta_ex -0.5059746E-02 Delta_ec 0.1477057E-02 Delta_et -0.1272396E-01 Pxc 0.4879307E+01 Qxc -0.3425558E+01 3,+1 146 3 -1 0.855361 1.961156 -3.031653 Rho 0.1448978E+00 |GRAD(Rho)| 0.2614299E-15 GRAD(Rho)x 0.4385598E-16 GRAD(Rho)y -0.2264492E-15 GRAD(Rho)z -0.1230569E-15 Laplacian 0.5580088E+00 (-1/4)Del**2(Rho)) -0.1395022E+00 Diamond 0.1081566E+01 Metallicity 0.4936375E+01 Ellipticity 0.3706010E-01 Gb(Abramov) 0.2077740E+00 Vb(Abramov) -0.2760458E+00 Hb(Abramov) -0.6827181E-01 Ex_ueg -0.5620832E-01 Ec_ueg -0.8117701E-02 Delta_ex -0.5938508E-01 Delta_ec 0.1422003E-01 Delta_et -0.1882378E+00 Pxc 0.6924167E+01 Qxc -0.4176156E+01 3,-1 147 3 +3 1.978673 1.914060 -1.943014 Rho 0.1142041E-01 |GRAD(Rho)| 0.1531876E-16 GRAD(Rho)x -0.2390690E-17 GRAD(Rho)y 0.1065807E-16 GRAD(Rho)z 0.1074032E-16 Laplacian 0.4807224E-01 (-1/4)Del**2(Rho)) -0.1201806E-01 Diamond 0.1025116E-02 Metallicity 0.8302105E+00 Ellipticity -0.8473318E+00 Gb(Abramov) 0.9674959E-02 Vb(Abramov) -0.7331859E-02 Hb(Abramov) 0.2343100E-02 Ex_ueg -0.1899447E-02 Ec_ueg -0.4328795E-03 Delta_ex -0.2093202E-02 Delta_ec 0.1969719E-03 Delta_et -0.1795693E-02 Pxc 0.4387935E+01 Qxc -0.1062691E+02 3,+3 148 3 +1 2.035805 -2.058485 2.079428 Rho 0.1138613E-01 |GRAD(Rho)| 0.1026730E-16 GRAD(Rho)x 0.1881019E-17 GRAD(Rho)y -0.8692185E-17 GRAD(Rho)z -0.5130797E-17 Laplacian 0.4817632E-01 (-1/4)Del**2(Rho)) -0.1204408E-01 Diamond 0.1335786E-02 Metallicity 0.8242768E+00 Ellipticity -0.1133064E+01 Gb(Abramov) 0.9683996E-02 Vb(Abramov) -0.7323912E-02 Hb(Abramov) 0.2360084E-02 Ex_ueg -0.1891849E-02 Ec_ueg -0.4313053E-03 Delta_ex -0.2192824E-02 Delta_ec 0.3704671E-03 Delta_et -0.2943516E-02 Pxc 0.4386335E+01 Qxc -0.5919080E+01 3,+1 149 3 +1 1.911777 -1.832853 -1.767653 Rho 0.1306537E-01 |GRAD(Rho)| 0.7117786E-15 GRAD(Rho)x -0.5451949E-15 GRAD(Rho)y -0.2492679E-15 GRAD(Rho)z -0.3837406E-15 Laplacian 0.5968602E-01 (-1/4)Del**2(Rho)) -0.1492150E-01 Diamond 0.2630273E-02 Metallicity 0.8367772E+00 Ellipticity -0.1364289E+01 Gb(Abramov) 0.1202867E-01 Vb(Abramov) -0.9135826E-02 Hb(Abramov) 0.2892839E-02 Ex_ueg -0.2272726E-02 Ec_ueg -0.5089707E-03 Delta_ex -0.2985796E-02 Delta_ec 0.7482545E-03 Delta_et -0.5747481E-02 Pxc 0.4465338E+01 Qxc -0.3990349E+01 3,+1 150 3 -1 1.700807 -1.800407 0.495478 Rho 0.4252900E-01 |GRAD(Rho)| 0.1882376E-16 GRAD(Rho)x 0.5030952E-17 GRAD(Rho)y -0.1212866E-16 GRAD(Rho)z 0.1348773E-16 Laplacian 0.1658259E+00 (-1/4)Del**2(Rho)) -0.4145649E-01 Diamond 0.6667326E-01 Metallicity 0.2153290E+01 Ellipticity 0.1259252E-01 Gb(Abramov) 0.4251563E-01 Vb(Abramov) -0.4357478E-01 Hb(Abramov) -0.1059145E-02 Ex_ueg -0.1096390E-01 Ec_ueg -0.2006269E-02 Delta_ex -0.1306561E-01 Delta_ec 0.4871610E-02 Delta_et -0.4920718E-01 Pxc 0.5464823E+01 Qxc -0.2681989E+01 3,-1 151 3 -1 1.810517 2.838804 0.595813 Rho 0.1143122E+00 |GRAD(Rho)| 0.1511609E-15 GRAD(Rho)x -0.1189912E-15 GRAD(Rho)y -0.4835542E-16 GRAD(Rho)z 0.7970241E-16 Laplacian 0.4939270E+00 (-1/4)Del**2(Rho)) -0.1234817E+00 Diamond 0.7464730E+00 Metallicity 0.3756397E+01 Ellipticity 0.1291763E-01 Gb(Abramov) 0.1596289E+00 Vb(Abramov) -0.1957761E+00 Hb(Abramov) -0.3614716E-01 Ex_ueg -0.4097402E-01 Ec_ueg -0.6199908E-02 Delta_ex -0.5002511E-01 Delta_ec 0.1399638E-01 Delta_et -0.1793008E+00 Pxc 0.6608811E+01 Qxc -0.3574147E+01 3,-1 152 3 -1 2.015975 -0.872258 3.068750 Rho 0.1280282E+00 |GRAD(Rho)| 0.8179508E-14 GRAD(Rho)x -0.6668751E-14 GRAD(Rho)y -0.3491971E-14 GRAD(Rho)z -0.3199725E-14 Laplacian 0.5214552E+00 (-1/4)Del**2(Rho)) -0.1303638E+00 Diamond 0.8908042E+00 Metallicity 0.4297726E+01 Ellipticity 0.1466427E-01 Gb(Abramov) 0.1802872E+00 Vb(Abramov) -0.2302106E+00 Hb(Abramov) -0.4992339E-01 Ex_ueg -0.4765690E-01 Ec_ueg -0.7052216E-02 Delta_ex -0.5409456E-01 Delta_ec 0.1412688E-01 Delta_et -0.1842654E+00 Pxc 0.6757720E+01 Qxc -0.3829195E+01 3,-1 153 3 -1 1.984512 -0.638068 -2.864724 Rho 0.1254223E+00 |GRAD(Rho)| 0.5190850E-15 GRAD(Rho)x 0.2210011E-15 GRAD(Rho)y 0.4437775E-15 GRAD(Rho)z 0.1538483E-15 Laplacian 0.4964017E+00 (-1/4)Del**2(Rho)) -0.1241004E+00 Diamond 0.8428888E+00 Metallicity 0.4362527E+01 Ellipticity 0.1058761E+00 Gb(Abramov) 0.1729655E+00 Vb(Abramov) -0.2218306E+00 Hb(Abramov) -0.4886510E-01 Ex_ueg -0.4636799E-01 Ec_ueg -0.6889295E-02 Delta_ex -0.5144039E-01 Delta_ec 0.1386496E-01 Delta_et -0.1808158E+00 Pxc 0.6730441E+01 Qxc -0.3710101E+01 3,-1 154 3 -1 1.734345 -0.569207 1.727052 Rho 0.3632241E-01 |GRAD(Rho)| 0.2136452E-16 GRAD(Rho)x -0.1281857E-16 GRAD(Rho)y -0.1701626E-16 GRAD(Rho)z 0.1604280E-17 Laplacian 0.1514861E+00 (-1/4)Del**2(Rho)) -0.3787154E-01 Diamond 0.5333016E-01 Metallicity 0.1812166E+01 Ellipticity 0.2086841E-01 Gb(Abramov) 0.3668595E-01 Vb(Abramov) -0.3550035E-01 Hb(Abramov) 0.1185592E-02 Ex_ueg -0.8884193E-02 Ec_ueg -0.1674104E-02 Delta_ex -0.1175361E-01 Delta_ec 0.4947791E-02 Delta_et -0.4792561E-01 Pxc 0.5306835E+01 Qxc -0.2375527E+01 3,-1 155 3 +3 2.348444 0.008140 0.039891 Rho 0.3874753E-02 |GRAD(Rho)| 0.9812471E-17 GRAD(Rho)x 0.2194927E-17 GRAD(Rho)y -0.3732429E-17 GRAD(Rho)z -0.8805445E-17 Laplacian 0.1533040E-01 (-1/4)Del**2(Rho)) -0.3832601E-02 Diamond 0.9936155E-04 Metallicity 0.4296681E+00 Ellipticity -0.2095511E+00 Gb(Abramov) 0.2829525E-02 Vb(Abramov) -0.1826449E-02 Hb(Abramov) 0.1003076E-02 Ex_ueg -0.4494801E-03 Ec_ueg -0.9881496E-04 Delta_ex -0.5248091E-03 Delta_ec 0.1229579E-03 Delta_et -0.7668363E-03 Pxc 0.4548705E+01 Qxc -0.4268201E+01 3,+3 156 3 -1 1.778177 0.496843 -1.746552 Rho 0.3939222E-01 |GRAD(Rho)| 0.1900382E-16 GRAD(Rho)x -0.1613513E-16 GRAD(Rho)y -0.2422514E-17 GRAD(Rho)z 0.9743420E-17 Laplacian 0.1646765E+00 (-1/4)Del**2(Rho)) -0.4116911E-01 Diamond 0.6484899E-01 Metallicity 0.1908384E+01 Ellipticity 0.1870598E-01 Gb(Abramov) 0.4054049E-01 Vb(Abramov) -0.3991186E-01 Hb(Abramov) 0.6286252E-03 Ex_ueg -0.9899175E-02 Ec_ueg -0.1837505E-02 Delta_ex -0.1303733E-01 Delta_ec 0.5389151E-02 Delta_et -0.5338763E-01 Pxc 0.5387291E+01 Qxc -0.2419180E+01 3,-1 157 3 -1 2.056288 0.847656 -3.029004 Rho 0.1089430E+00 |GRAD(Rho)| 0.1012115E-15 GRAD(Rho)x -0.1798420E-16 GRAD(Rho)y -0.9858108E-16 GRAD(Rho)z 0.1421660E-16 Laplacian 0.4434523E+00 (-1/4)Del**2(Rho)) -0.1108631E+00 Diamond 0.6306293E+00 Metallicity 0.3861579E+01 Ellipticity 0.1514810E-01 Gb(Abramov) 0.1452598E+00 Vb(Abramov) -0.1796565E+00 Hb(Abramov) -0.3439673E-01 Ex_ueg -0.3842826E-01 Ec_ueg -0.5869899E-02 Delta_ex -0.4438281E-01 Delta_ec 0.1265178E-01 Delta_et -0.1605162E+00 Pxc 0.6546665E+01 Qxc -0.3508028E+01 3,-1 158 3 -1 2.012836 -3.072341 0.849805 Rho 0.1471865E+00 |GRAD(Rho)| 0.6048010E-12 GRAD(Rho)x 0.3310312E-12 GRAD(Rho)y 0.1868220E-12 GRAD(Rho)z -0.4704255E-12 Laplacian 0.5658396E+00 (-1/4)Del**2(Rho)) -0.1414599E+00 Diamond 0.1123464E+01 Metallicity 0.4996891E+01 Ellipticity 0.2663433E-01 Gb(Abramov) 0.2121165E+00 Vb(Abramov) -0.2827732E+00 Hb(Abramov) -0.7065664E-01 Ex_ueg -0.5739522E-01 Ec_ueg -0.8263654E-02 Delta_ex -0.6051032E-01 Delta_ec 0.1447110E-01 Delta_et -0.1922317E+00 Pxc 0.6945502E+01 Qxc -0.4181458E+01 3,-1 159 3 -1 2.829214 -1.875282 -0.560825 Rho 0.1349353E+00 |GRAD(Rho)| 0.5568823E-12 GRAD(Rho)x 0.1611588E-12 GRAD(Rho)y 0.4133275E-12 GRAD(Rho)z -0.3366098E-12 Laplacian 0.5462355E+00 (-1/4)Del**2(Rho)) -0.1365589E+00 Diamond 0.9726150E+00 Metallicity 0.4478259E+01 Ellipticity 0.1726466E-01 Gb(Abramov) 0.1929636E+00 Vb(Abramov) -0.2493683E+00 Hb(Abramov) -0.5640471E-01 Ex_ueg -0.5111549E-01 Ec_ueg -0.7486247E-02 Delta_ex -0.5713962E-01 Delta_ec 0.1417838E-01 Delta_et -0.1857218E+00 Pxc 0.6827919E+01 Qxc -0.4030052E+01 3,-1 160 3 -1 1.739801 1.722268 -0.530727 Rho 0.3535675E-01 |GRAD(Rho)| 0.5780455E-16 GRAD(Rho)x 0.5749469E-16 GRAD(Rho)y 0.1169753E-17 GRAD(Rho)z -0.5861574E-17 Laplacian 0.1465769E+00 (-1/4)Del**2(Rho)) -0.3664424E-01 Diamond 0.4965012E-01 Metallicity 0.1790611E+01 Ellipticity 0.1713373E-01 Gb(Abramov) 0.3536542E-01 Vb(Abramov) -0.3408661E-01 Hb(Abramov) 0.1278814E-02 Ex_ueg -0.8570671E-02 Ec_ueg -0.1623083E-02 Delta_ex -0.1129253E-01 Delta_ec 0.4776199E-02 Delta_et -0.4591739E-01 Pxc 0.5280490E+01 Qxc -0.2364334E+01 3,-1 161 3 -1 2.850140 1.863231 0.612047 Rho 0.1365246E+00 |GRAD(Rho)| 0.3170183E-15 GRAD(Rho)x 0.6767454E-16 GRAD(Rho)y -0.1845854E-16 GRAD(Rho)z 0.3091602E-15 Laplacian 0.5732632E+00 (-1/4)Del**2(Rho)) -0.1433158E+00 Diamond 0.1061518E+01 Metallicity 0.4351217E+01 Ellipticity 0.1506122E-01 Gb(Abramov) 0.1994769E+00 Vb(Abramov) -0.2556380E+00 Hb(Abramov) -0.5616110E-01 Ex_ueg -0.5191981E-01 Ec_ueg -0.7586559E-02 Delta_ex -0.6043475E-01 Delta_ec 0.1536848E-01 Delta_et -0.2027448E+00 Pxc 0.6843657E+01 Qxc -0.3932382E+01 3,-1 162 3 -1 1.995975 3.023120 -0.869714 Rho 0.1098170E+00 |GRAD(Rho)| 0.2178431E-15 GRAD(Rho)x 0.1531165E-15 GRAD(Rho)y 0.1256319E-16 GRAD(Rho)z 0.1544446E-15 Laplacian 0.4525380E+00 (-1/4)Del**2(Rho)) -0.1131345E+00 Diamond 0.6477130E+00 Metallicity 0.3834783E+01 Ellipticity 0.1200999E-01 Gb(Abramov) 0.1477307E+00 Vb(Abramov) -0.1823269E+00 Hb(Abramov) -0.3459621E-01 Ex_ueg -0.3883988E-01 Ec_ueg -0.5923475E-02 Delta_ex -0.4534555E-01 Delta_ec 0.1283251E-01 Delta_et -0.1629857E+00 Pxc 0.6556942E+01 Qxc -0.3533646E+01 3,-1 163 3 -1 3.008449 -2.060075 0.834549 Rho 0.1124288E+00 |GRAD(Rho)| 0.4173782E-13 GRAD(Rho)x -0.1599847E-13 GRAD(Rho)y 0.3359637E-13 GRAD(Rho)z 0.1890445E-13 Laplacian 0.4426539E+00 (-1/4)Del**2(Rho)) -0.1106635E+00 Diamond 0.6266030E+00 Metallicity 0.4077038E+01 Ellipticity 0.5375104E-02 Gb(Abramov) 0.1489722E+00 Vb(Abramov) -0.1872809E+00 Hb(Abramov) -0.3830870E-01 Ex_ueg -0.4007637E-01 Ec_ueg -0.6083906E-02 Delta_ex -0.4423180E-01 Delta_ec 0.1182929E-01 Delta_et -0.1499824E+00 Pxc 0.6587276E+01 Qxc -0.3739175E+01 3,-1 164 3 -1 3.050735 -0.897998 2.009148 Rho 0.1365535E+00 |GRAD(Rho)| 0.5354656E-16 GRAD(Rho)x -0.1910906E-16 GRAD(Rho)y 0.4643096E-16 GRAD(Rho)z 0.1860762E-16 Laplacian 0.5464901E+00 (-1/4)Del**2(Rho)) -0.1366225E+00 Diamond 0.1011999E+01 Metallicity 0.4565998E+01 Ellipticity 0.3121815E-01 Gb(Abramov) 0.1950514E+00 Vb(Abramov) -0.2534802E+00 Hb(Abramov) -0.5842885E-01 Ex_ueg -0.5193445E-01 Ec_ueg -0.7588384E-02 Delta_ex -0.5761294E-01 Delta_ec 0.1464595E-01 Delta_et -0.1932117E+00 Pxc 0.6843942E+01 Qxc -0.3933713E+01 3,-1 165 3 -1 2.895857 -0.593954 -1.793478 Rho 0.1226685E+00 |GRAD(Rho)| 0.1550054E-15 GRAD(Rho)x -0.5004271E-16 GRAD(Rho)y -0.7491837E-16 GRAD(Rho)z -0.1261334E-15 Laplacian 0.5168519E+00 (-1/4)Del**2(Rho)) -0.1292130E+00 Diamond 0.8438677E+00 Metallicity 0.4037715E+01 Ellipticity 0.1748913E-01 Gb(Abramov) 0.1730962E+00 Vb(Abramov) -0.2169794E+00 Hb(Abramov) -0.4388320E-01 Ex_ueg -0.4501556E-01 Ec_ueg -0.6717621E-02 Delta_ex -0.5314038E-01 Delta_ec 0.1426285E-01 Delta_et -0.1848652E+00 Pxc 0.6701116E+01 Qxc -0.3725790E+01 3,-1 166 3 -1 3.371236 -0.024220 -3.226090 Rho 0.1982271E+00 |GRAD(Rho)| 0.1549650E-15 GRAD(Rho)x 0.1481562E-15 GRAD(Rho)y 0.4973777E-17 GRAD(Rho)z 0.4515702E-16 Laplacian 0.7488345E+00 (-1/4)Del**2(Rho)) -0.1872086E+00 Diamond 0.2115179E+01 Metallicity 0.6201532E+01 Ellipticity 0.8162571E-02 Gb(Abramov) 0.3183025E+00 Vb(Abramov) -0.4493963E+00 Hb(Abramov) -0.1310938E+00 Ex_ueg -0.8536288E-01 Ec_ueg -0.1159946E-01 Delta_ex -0.8618939E-01 Delta_ec 0.1760052E-01 Delta_et -0.2415577E+00 Pxc 0.7359212E+01 Qxc -0.4896981E+01 3,-1 167 3 -1 3.276267 0.024937 3.263715 Rho 0.1968007E+00 |GRAD(Rho)| 0.3037817E-13 GRAD(Rho)x -0.2121160E-13 GRAD(Rho)y -0.5339492E-14 GRAD(Rho)z -0.2108058E-13 Laplacian 0.7424413E+00 (-1/4)Del**2(Rho)) -0.1856103E+00 Diamond 0.2082447E+01 Metallicity 0.6180097E+01 Ellipticity 0.4077162E-02 Gb(Abramov) 0.3149219E+00 Vb(Abramov) -0.4442334E+00 Hb(Abramov) -0.1293115E+00 Ex_ueg -0.8454485E-01 Ec_ueg -0.1150420E-01 Delta_ex -0.8532032E-01 Delta_ec 0.1752729E-01 Delta_et -0.2405506E+00 Pxc 0.7349041E+01 Qxc -0.4867855E+01 3,-1 168 3 -1 3.116844 0.881903 -1.995964 Rho 0.1226502E+00 |GRAD(Rho)| 0.1286225E-13 GRAD(Rho)x -0.3804343E-14 GRAD(Rho)y -0.1196204E-13 GRAD(Rho)z -0.2806051E-14 Laplacian 0.5086722E+00 (-1/4)Del**2(Rho)) -0.1271681E+00 Diamond 0.8251920E+00 Metallicity 0.4101622E+01 Ellipticity 0.1413607E-01 Gb(Abramov) 0.1717112E+00 Vb(Abramov) -0.2162544E+00 Hb(Abramov) -0.4454319E-01 Ex_ueg -0.4500659E-01 Ec_ueg -0.6716480E-02 Delta_ex -0.5223015E-01 Delta_ec 0.1391732E-01 Delta_et -0.1801841E+00 Pxc 0.6700919E+01 Qxc -0.3752888E+01 3,-1 169 3 -1 3.221400 -3.293071 -0.071964 Rho 0.2172940E+00 |GRAD(Rho)| 0.8735484E-14 GRAD(Rho)x 0.3726023E-14 GRAD(Rho)y -0.4261402E-14 GRAD(Rho)z -0.6653261E-14 Laplacian 0.8004692E+00 (-1/4)Del**2(Rho)) -0.2001173E+00 Diamond 0.2522600E+01 Metallicity 0.6761058E+01 Ellipticity 0.8840565E-02 Gb(Abramov) 0.3589123E+00 Vb(Abramov) -0.5177073E+00 Hb(Abramov) -0.1587950E+00 Ex_ueg -0.9648252E-01 Ec_ueg -0.1288365E-01 Delta_ex -0.9431340E-01 Delta_ec 0.1831526E-01 Delta_et -0.2529646E+00 Pxc 0.7488756E+01 Qxc -0.5149443E+01 3,-1 170 3 -1 3.078987 2.043152 -0.841912 Rho 0.1284330E+00 |GRAD(Rho)| 0.8861308E-13 GRAD(Rho)x -0.3655609E-13 GRAD(Rho)y 0.5019990E-13 GRAD(Rho)z 0.6321313E-13 Laplacian 0.5199154E+00 (-1/4)Del**2(Rho)) -0.1299789E+00 Diamond 0.8956466E+00 Metallicity 0.4333195E+01 Ellipticity 0.4798990E-02 Gb(Abramov) 0.1805232E+00 Vb(Abramov) -0.2310675E+00 Hb(Abramov) -0.5054433E-01 Ex_ueg -0.4785793E-01 Ec_ueg -0.7077568E-02 Delta_ex -0.5402576E-01 Delta_ec 0.1416433E-01 Delta_et -0.1850126E+00 Pxc 0.6761918E+01 Qxc -0.3814213E+01 3,-1 171 3 -1 -3.286306 -0.021709 3.294204 Rho 0.1969208E+00 |GRAD(Rho)| 0.3825080E-14 GRAD(Rho)x 0.2534052E-14 GRAD(Rho)y 0.4544569E-15 GRAD(Rho)z -0.2829009E-14 Laplacian 0.7470573E+00 (-1/4)Del**2(Rho)) -0.1867643E+00 Diamond 0.2092600E+01 Metallicity 0.6148163E+01 Ellipticity 0.2013776E-02 Gb(Abramov) 0.3158858E+00 Vb(Abramov) -0.4450072E+00 Hb(Abramov) -0.1291215E+00 Ex_ueg -0.8461368E-01 Ec_ueg -0.1151222E-01 Delta_ex -0.8583411E-01 Delta_ec 0.1757975E-01 Delta_et -0.2411023E+00 Pxc 0.7349900E+01 Qxc -0.4882556E+01 3,-1 172 3 -1 -2.919551 -1.826616 0.599465 Rho 0.1178067E+00 |GRAD(Rho)| 0.2940231E-15 GRAD(Rho)x -0.8048846E-16 GRAD(Rho)y 0.2601679E-15 GRAD(Rho)z 0.1108326E-15 Laplacian 0.4972814E+00 (-1/4)Del**2(Rho)) -0.1243203E+00 Diamond 0.7761036E+00 Metallicity 0.3923086E+01 Ellipticity 0.1437154E-01 Gb(Abramov) 0.1641668E+00 Vb(Abramov) -0.2040133E+00 Hb(Abramov) -0.3984645E-01 Ex_ueg -0.4265257E-01 Ec_ueg -0.6415812E-02 Delta_ex -0.5067883E-01 Delta_ec 0.1391795E-01 Delta_et -0.1791853E+00 Pxc 0.6648040E+01 Qxc -0.3641257E+01 3,-1 173 3 -1 -2.268071 -0.884808 -3.430642 Rho 0.1939743E+00 |GRAD(Rho)| 0.2972521E-15 GRAD(Rho)x 0.3426079E-16 GRAD(Rho)y -0.1428436E-15 GRAD(Rho)z 0.2584196E-15 Laplacian 0.7525122E+00 (-1/4)Del**2(Rho)) -0.1881281E+00 Diamond 0.2065140E+01 Metallicity 0.5952141E+01 Ellipticity 0.9082563E-02 Gb(Abramov) 0.3120462E+00 Vb(Abramov) -0.4359643E+00 Hb(Abramov) -0.1239181E+00 Ex_ueg -0.8292980E-01 Ec_ueg -0.1131579E-01 Delta_ex -0.8609509E-01 Delta_ec 0.1771888E-01 Delta_et -0.2424885E+00 Pxc 0.7328680E+01 Qxc -0.4858947E+01 3,-1 174 3 -1 -0.855093 -3.526754 -1.315860 Rho 0.3250124E+00 |GRAD(Rho)| 0.3525848E-13 GRAD(Rho)x 0.2471992E-13 GRAD(Rho)y -0.2030639E-13 GRAD(Rho)z 0.1482351E-13 Laplacian -0.1633900E+01 (-1/4)Del**2(Rho)) 0.4084749E+00 Diamond 0.5736149E+01 Metallicity -0.6479692E+01 Ellipticity 0.2214754E-02 Gb(Abramov) 0.1688153E+00 Vb(Abramov) -0.7461055E+00 Hb(Abramov) -0.5772902E+00 Ex_ueg -0.1650384E+00 Ec_ueg -0.2051430E-01 Delta_ex 0.1639938E+00 Delta_ec 0.5648794E-01 Delta_et -0.1351391E+01 Pxc 0.8045039E+01 Qxc 0.2903165E+01 3,-1 175 3 -1 -0.847854 2.051727 3.050100 Rho 0.1488610E+00 |GRAD(Rho)| 0.5254419E-13 GRAD(Rho)x 0.3770114E-13 GRAD(Rho)y 0.2631016E-13 GRAD(Rho)z -0.2544193E-13 Laplacian 0.5831108E+00 (-1/4)Del**2(Rho)) -0.1457777E+00 Diamond 0.1165090E+01 Metallicity 0.4941175E+01 Ellipticity 0.3170709E-01 Gb(Abramov) 0.2172373E+00 Vb(Abramov) -0.2886969E+00 Hb(Abramov) -0.7145961E-01 Ex_ueg -0.5826748E-01 Ec_ueg -0.8370640E-02 Delta_ex -0.6244491E-01 Delta_ec 0.1471839E-01 Delta_et -0.1954839E+00 Pxc 0.6960934E+01 Qxc -0.4242645E+01 3,-1 176 3 -1 -0.546980 2.745946 -1.794205 Rho 0.1353255E+00 |GRAD(Rho)| 0.1138188E-15 GRAD(Rho)x 0.1136922E-15 GRAD(Rho)y -0.3930233E-18 GRAD(Rho)z -0.5353248E-17 Laplacian 0.5518789E+00 (-1/4)Del**2(Rho)) -0.1379697E+00 Diamond 0.9843567E+00 Metallicity 0.4453847E+01 Ellipticity 0.1107169E-01 Gb(Abramov) 0.1943958E+00 Vb(Abramov) -0.2508219E+00 Hb(Abramov) -0.5642609E-01 Ex_ueg -0.5131265E-01 Ec_ueg -0.7510858E-02 Delta_ex -0.5775073E-01 Delta_ec 0.1427976E-01 Delta_et -0.1870640E+00 Pxc 0.6831796E+01 Qxc -0.4044238E+01 3,-1 177 3 -1 -0.583001 -0.528172 -0.526146 Rho 0.1871074E+00 |GRAD(Rho)| 0.3058825E-15 GRAD(Rho)x -0.2116363E-15 GRAD(Rho)y -0.1526557E-15 GRAD(Rho)z -0.1595946E-15 Laplacian 0.4935311E+00 (-1/4)Del**2(Rho)) -0.1233828E+00 Diamond 0.1305901E+01 Metallicity 0.8546409E+01 Ellipticity 0.2208110E-01 Gb(Abramov) 0.2580018E+00 Vb(Abramov) -0.3926208E+00 Hb(Abramov) -0.1346190E+00 Ex_ueg -0.7903870E-01 Ec_ueg -0.1085991E-01 Delta_ex -0.5601660E-01 Delta_ec 0.1185193E-01 Delta_et -0.1620410E+00 Pxc 0.7278026E+01 Qxc -0.4726368E+01 3,-1 178 3 -1 3.228897 3.304952 0.081226 Rho 0.1976128E+00 |GRAD(Rho)| 0.4430031E-12 GRAD(Rho)x -0.2919316E-12 GRAD(Rho)y -0.3252141E-12 GRAD(Rho)z -0.7254961E-13 Laplacian 0.7442809E+00 (-1/4)Del**2(Rho)) -0.1860702E+00 Diamond 0.2095890E+01 Metallicity 0.6207281E+01 Ellipticity 0.2428198E-02 Gb(Abramov) 0.3165452E+00 Vb(Abramov) -0.4470201E+00 Hb(Abramov) -0.1304750E+00 Ex_ueg -0.8501035E-01 Ec_ueg -0.1155842E-01 Delta_ex -0.8560718E-01 Delta_ec 0.1752553E-01 Delta_et -0.2405247E+00 Pxc 0.7354840E+01 Qxc -0.4884712E+01 3,-1 179 3 -1 1.846628 -2.894619 -0.587238 Rho 0.1975343E+00 |GRAD(Rho)| 0.3814851E-13 GRAD(Rho)x -0.3241927E-13 GRAD(Rho)y 0.1985212E-13 GRAD(Rho)z -0.3192596E-14 Laplacian 0.7691837E+00 (-1/4)Del**2(Rho)) -0.1922959E+00 Diamond 0.2134567E+01 Metallicity 0.6002340E+01 Ellipticity 0.8764462E-02 Gb(Abramov) 0.3205682E+00 Vb(Abramov) -0.4488405E+00 Hb(Abramov) -0.1282723E+00 Ex_ueg -0.8496532E-01 Ec_ueg -0.1155318E-01 Delta_ex -0.8825265E-01 Delta_ec 0.1773913E-01 Delta_et -0.2421753E+00 Pxc 0.7354281E+01 Qxc -0.4975028E+01 3,-1 180 3 -1 2.855540 0.582504 1.859622 Rho 0.1210531E+00 |GRAD(Rho)| 0.1433008E-15 GRAD(Rho)x -0.8031905E-16 GRAD(Rho)y -0.9784925E-16 GRAD(Rho)z -0.6715277E-16 Laplacian 0.5171899E+00 (-1/4)Del**2(Rho)) -0.1292975E+00 Diamond 0.8322595E+00 Metallicity 0.3946900E+01 Ellipticity 0.1279835E-01 Gb(Abramov) 0.1712524E+00 Vb(Abramov) -0.2132072E+00 Hb(Abramov) -0.4195488E-01 Ex_ueg -0.4422686E-01 Ec_ueg -0.6617155E-02 Delta_ex -0.5302409E-01 Delta_ec 0.1434415E-01 Delta_et -0.1855243E+00 Pxc 0.6683668E+01 Qxc -0.3696566E+01 3,-1 181 3 -1 -3.196853 3.223790 -0.079183 Rho 0.2177098E+00 |GRAD(Rho)| 0.1838495E-12 GRAD(Rho)x 0.1184828E-12 GRAD(Rho)y -0.1354804E-12 GRAD(Rho)z 0.3751710E-13 Laplacian 0.8099361E+00 (-1/4)Del**2(Rho)) -0.2024840E+00 Diamond 0.2546826E+01 Metallicity 0.6703358E+01 Ellipticity 0.5523548E-02 Gb(Abramov) 0.3612098E+00 Vb(Abramov) -0.5199356E+00 Hb(Abramov) -0.1587258E+00 Ex_ueg -0.9672879E-01 Ec_ueg -0.1291188E-01 Delta_ex -0.9540627E-01 Delta_ec 0.1839757E-01 Delta_et -0.2536503E+00 Pxc 0.7491455E+01 Qxc -0.5185809E+01 3,-1 182 3 -1 1.171097 -1.774984 -2.619121 Rho 0.3171781E+00 |GRAD(Rho)| 0.4932537E-13 GRAD(Rho)x 0.3736250E-13 GRAD(Rho)y 0.2016230E-13 GRAD(Rho)z -0.2511012E-13 Laplacian -0.1577125E+01 (-1/4)Del**2(Rho)) 0.3942812E+00 Diamond 0.5494074E+01 Metallicity -0.6445438E+01 Ellipticity 0.2672475E-02 Gb(Abramov) 0.1606984E+00 Vb(Abramov) -0.7156779E+00 Hb(Abramov) -0.5549795E+00 Ex_ueg -0.1597556E+00 Ec_ueg -0.1993770E-01 Delta_ex 0.1563602E+00 Delta_ec 0.5529080E-01 Delta_et -0.1306755E+01 Pxc 0.8012736E+01 Qxc 0.2827960E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 130 118 121 136 142 127 110 177 141 112 132 114 176 146 138 135 115 134 117 175 108 139 150 159 179 163 158 169 160 161 151 170 162 178 98 69 87 65 64 181 83 172 96 67 95 62 94 79 91 75 173 57 93 77 90 73 81 171 154 180 131 164 152 167 156 165 153 168 157 166 122 119 56 182 109 143 128 174 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 14 14 21 21 25 28 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 21 28 36 52 27 52 53 53 2.442871 2.000087 1.954030 2.009009 2.056768 1.821822 1.719878 1.695581 1.725233 1.734179 2.362620 1.883431 1.957491 1.940648 1.942735 1.774973 2.447341 1.891937 1.917105 1.929328 1.955665 1.775037 2.436323 1.960199 1.818337 2.042919 1.934388 1.781300 2.503544 1.950803 2.016325 1.982550 2.043134 1.817677 2.387964 1.814757 1.972877 1.919458 2.026198 1.780289 2.398068 2.007982 2.005471 1.992799 2.043893 1.820981 2.394010 2.284378 2.065060 1.998273 1.823880 1.838912 2.440601 1.952751 1.952437 2.071871 2.061060 1.818893 2.490161 1.996614 2.070413 1.958808 1.983802 1.819178 2.458080 1.990511 1.999000 1.999384 2.046136 1.816522 3.296595 3.176070 3.451340 0.997051 3.222329 1.778147 1.944650 0.991411 2.444844 2.000232 1.954263 2.009264 2.056998 1.821831 1.719892 1.695604 1.725251 1.734187 2.364242 1.883742 1.957940 1.941082 1.943196 1.774980 2.449022 1.892278 1.917446 1.929774 1.956149 1.775044 2.437852 1.960473 1.818497 2.043345 1.934834 1.781319 2.505557 1.950999 2.016607 1.982775 2.043383 1.817684 2.389518 1.815037 1.973280 1.919846 2.026635 1.780305 2.400779 2.008147 2.005642 1.993103 2.044314 1.820988 2.396587 2.284556 2.065249 1.998533 1.823903 1.838922 2.442559 1.952959 1.952647 2.072121 2.061294 1.818900 2.492391 1.996788 2.070616 1.959077 1.984040 1.819187 2.460080 1.990874 1.999871 1.999628 2.046377 1.816526 3.401363 3.182025 3.454091 0.997106 3.223658 1.785218 1.946909 0.991465 31 28 28 28 26 27 23 20 24 22 30 26 25 26 27 23 33 28 28 24 27 27 29 25 22 26 25 22 29 26 25 24 24 23 30 25 26 26 28 22 30 24 27 27 28 23 30 30 26 29 22 25 31 26 26 27 31 23 29 24 27 25 26 24 29 27 26 25 24 25 37 35 37 18 35 28 28 17 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 Ta As W W W Ta W Ta Ta Ta Ta Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.1203 2.4169 2.3837 2.3795 2.3028 2.1387 2.3556 2.1181 2.0267 2.1253 2.1243 2.1202 -1.0955 -1.0185 -1.1072 -1.1040 -1.0247 -1.0108 -0.9116 -1.0271 -0.8760 -0.9844 -0.9836 -1.0287 -0.9833 -1.0268 -0.9937 -0.9365 -1.0472 -1.0801 -1.0576 -1.0266 -1.0614 -1.0270 -1.0287 -1.0118 -0.9336 -1.0228 -1.0349 -1.0314 -1.0080 -0.9951 -0.9076 -0.9132 -0.9260 -1.0008 -0.9207 -1.0090 -1.0387 -1.0011 -1.0033 0.2817 0.3053 2.1308 0.8672 2.1207 2.1175 2.1441 2.1258 2.1215 2.1493 2.1611 2.1287 2.1307 2.1330 1.9374 1.9485 1.9356 1.9336 1.9203 1.9220 1.9418 1.9201 1.8639 1.9268 1.9284 1.9199 1.9263 1.9190 1.9251 1.9501 1.9267 1.9225 1.9247 1.9309 1.9237 1.9304 1.9300 1.9271 1.8633 1.9312 1.9289 1.9295 1.9311 1.9316 1.9469 1.9464 1.9440 1.9323 1.9449 1.9307 1.9261 1.9322 1.9315 0.5646 0.5588 6.0987 1.1736 6.1057 6.1056 6.1281 6.0905 6.1029 6.1047 6.0933 6.0955 6.0947 6.1007 5.1238 5.0361 5.1373 5.1357 5.0810 5.0634 4.9400 5.0832 4.9851 5.0314 5.0285 5.0848 5.0295 5.0840 5.0422 4.9566 5.0958 5.1339 5.1084 5.0688 5.1138 5.0706 5.0725 5.0621 5.0444 5.0648 5.0800 5.0758 5.0539 5.0400 4.9312 4.9373 4.9533 5.0451 4.9469 5.0554 5.0912 5.0456 5.0484 0.1537 0.1359 2.6153 10.5422 3.3598 3.3675 3.3957 2.6102 3.3901 2.5932 2.6859 2.6158 2.6158 2.6117 0.0342 0.0339 0.0343 0.0347 0.0234 0.0254 0.0298 0.0238 0.0269 0.0263 0.0267 0.0240 0.0276 0.0239 0.0264 0.0298 0.0247 0.0238 0.0245 0.0269 0.0239 0.0260 0.0262 0.0226 0.0259 0.0269 0.0261 0.0260 0.0230 0.0235 0.0295 0.0296 0.0287 0.0235 0.0288 0.0228 0.0214 0.0233 0.0233 0.0000 0.0000 14.0349 0.0000 14.0300 14.0299 14.0293 14.0349 14.0298 14.0347 14.0330 14.0347 14.0346 14.0344 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 Ta As W W W Ta W Ta Ta Ta Ta Ta O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H 2.351501 2.304311 2.493710 2.487912 2.469765 2.351254 2.477106 2.371004 2.332520 2.349197 2.350828 2.356475 -1.093458 -1.033701 -1.093835 -1.094630 -1.083144 -1.050170 -0.983737 -1.078765 -0.733647 -1.033880 -1.018261 -1.082769 -1.019052 -1.081878 -1.037901 -0.862540 -1.081028 -1.107200 -1.095441 -1.053280 -1.101616 -1.048446 -1.055680 -1.111427 -0.755345 -1.042218 -1.064044 -1.058145 -1.122675 -1.107384 -0.974148 -0.980365 -1.001352 -1.110178 -0.990888 -1.119461 -1.156167 -1.111817 -1.115333 0.021798 0.027625 1.820539 1.756917 1.921701 1.919484 1.896873 1.824297 1.908912 1.864703 1.855104 1.826617 1.828552 1.857740 -0.688459 -0.664623 -0.689015 -0.686928 -0.838096 -0.807139 -0.764783 -0.833144 -0.953393 -0.794095 -0.757033 -0.848917 -0.752483 -0.815887 -0.788050 -0.727730 -0.925075 -0.932740 -0.933853 -0.906130 -0.942459 -0.875129 -0.902079 -1.065709 -1.024506 -0.882428 -0.906424 -0.904111 -1.093317 -1.060743 -0.913608 -0.920575 -0.948617 -1.075411 -0.929551 -1.078633 -1.132678 -1.076572 -1.083420 0.322592 0.319512 1.956317 1.674590 2.041139 2.042928 2.022033 1.956045 2.023828 1.976963 1.962022 1.958491 1.964806 1.972959 -0.777865 -0.747499 -0.777749 -0.782525 -0.935717 -0.897366 -0.820901 -0.926647 -0.933287 -0.876829 -0.846613 -0.930477 -0.838514 -0.935147 -0.870700 -0.829493 -0.965189 -0.974797 -0.984982 -0.938304 -0.981489 -0.918877 -0.932078 -1.053624 -0.991216 -0.919230 -0.945553 -0.939455 -1.060865 -1.044468 -0.877852 -0.881932 -0.908845 -1.046308 -0.892099 -1.057663 -1.123297 -1.045794 -1.052540 0.352849 0.358818 5.69369418 3.62596924 -3.93423875 7.81306860 -44.31631164 -36.09097923 -20.78251410 44.99553787 33.73499982 -0.67922623 -350.3620 417.8767 69.8704 -447.2132 -170.2196 -480.0477 Jun21-2024 08:45:32 Nodes: 1 Procs: 1 Jun21-2024 08:45:34 Nodes: 1 Procs: 1 0 Jun21-2024 08:45:37 Nodes: 1 Procs: 1 Jun21-2024 08:45:38 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun21-2024 08:45:41 Nodes: 1 Procs: 1 Jun21-2024 08:45:43 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun21-2024 08:45:47 Nodes: 1 Procs: 1 Jun21-2024 08:45:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun21-2024 08:45:51 Nodes: 1 Procs: 1 Jun21-2024 08:45:54 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun21-2024 08:45:59 Nodes: 1 Procs: 5 *** (NO TITLE) *** -12 -17.23550681 -17.49391262 -17.54849835 -17.52786229 -17.58046163 -17.60476907 -17.61048443 -17.61688000 -17.62451754 -17.63025987 -17.63169562 -17.63624375 -17.63885626 -17.63977235 -17.64054783 -17.64091987 -17.64105767 -17.64121624 -17.64134441 -17.64141028 -17.64144003 -17.64144814 -17.64145008 -17.64142836 GEOMETRY CONVERGED