ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 12:52:21 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.60 0.03 0.67 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 2.000 0.000 0.000 0.000 0.000 -139.491 -10.820 3.478 40.665 286.501 -95.429 -4.086 1.767 16.978 215.955 10.038 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 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -139.4907 -95.4288 -10.8205 -4.0856 1.7668 3.4780 10.0377 16.9776 40.6653 215.9554 286.5008 1 Si -0.0000 4.0000 8.0000 0.0000 0.0000 Apr24-2024 12:52:21 Nodes: 1 Procs: 1 Apr24-2024 12:52:22 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 12:52:22 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.33 0.04 1.42 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 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 407.2741 82466.5953 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Apr24-2024 12:52:21 Nodes: 1 Procs: 1 Apr24-2024 12:52:22 Nodes: 1 Procs: 1 0 Apr24-2024 12:52:22 Nodes: 1 Procs: 1 Apr24-2024 12:52:23 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 12:52:25 Silicon (TZP, 1s frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.45 0.03 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 Apr24-2024 12:52:21 Nodes: 1 Procs: 1 Apr24-2024 12:52:22 Nodes: 1 Procs: 1 0 Apr24-2024 12:52:22 Nodes: 1 Procs: 1 Apr24-2024 12:52:23 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr24-2024 12:52:25 Nodes: 1 Procs: 1 Apr24-2024 12:52:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 12:52:26 Silicon (TZP, 1s frozen) kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 kimik2200 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 0.04 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 Apr24-2024 12:52:21 Nodes: 1 Procs: 1 Apr24-2024 12:52:22 Nodes: 1 Procs: 1 0 Apr24-2024 12:52:22 Nodes: 1 Procs: 1 Apr24-2024 12:52:23 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr24-2024 12:52:25 Nodes: 1 Procs: 1 Apr24-2024 12:52:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr24-2024 12:52:26 Nodes: 1 Procs: 1 Apr24-2024 12:52:27 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr24-2024 12:52:29 Silicon (TZP, 1s frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP 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272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 2.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 0.000 -4.611 -4.550 -4.544 -4.519 -4.506 -4.365 -4.319 -4.250 -4.239 -3.886 -1.097 -1.070 -0.981 -0.907 -0.822 -0.751 -0.712 -0.630 -0.581 -0.353 A A A A A A A A A A A A A A A A A A A A 0.00000000069545 0.00044337995878 0.00029943383759 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 74 74 74 74 74 74 74 74 14 73 73 73 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 0.110002 0.010418 3.535821 0.139223 0.008567 -3.518799 2.494386 -1.845474 1.848862 2.581393 1.727752 -1.880373 -2.575514 1.867849 -1.686844 -2.525843 -1.974159 1.690849 -2.449835 -2.024188 -1.642090 2.569053 1.721426 1.875411 -0.086635 -0.040550 -0.018223 -0.157512 3.604658 0.003484 -2.581626 1.885903 1.706200 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-3.749879 2.487189 -2.871672 -3.878628 -2.291402 2.813647 -3.829958 -2.220753 -2.762912 -3.847496 2.523848 2.853571 3.769786 2.844466 2.531466 1 3 -3 0.110002 0.010418 3.535821 Rho 0.4361414E+07 3,-3 2 3 -3 0.139223 0.008567 -3.518799 Rho 0.4361414E+07 3,-3 3 3 -3 2.494386 -1.845474 1.848862 Rho 0.4361415E+07 3,-3 4 3 -3 2.581393 1.727752 -1.880373 Rho 0.4361415E+07 3,-3 5 3 -3 -2.575514 1.867849 -1.686844 Rho 0.4361415E+07 3,-3 6 3 -3 -2.525843 -1.974159 1.690849 Rho 0.4361414E+07 3,-3 7 3 -3 -2.449835 -2.024188 -1.642090 Rho 0.4361415E+07 3,-3 8 3 -3 2.569053 1.721426 1.875411 Rho 0.4361415E+07 3,-3 9 3 -3 -0.086635 -0.040550 -0.018223 Rho 0.1943329E+04 3,-3 10 3 -3 -0.157512 3.604658 0.003484 Rho 0.3882647E+07 3,-3 11 3 -3 -2.581626 1.885903 1.706200 Rho 0.3882647E+07 3,-3 12 3 -3 2.510674 -1.900761 -1.890171 Rho 0.3882647E+07 3,-3 13 3 -3 0.893182 -0.071802 1.337198 Rho 0.3187003E+03 3,-3 14 3 -3 -1.120695 -1.328649 -0.028857 Rho 0.3186412E+03 3,-3 15 3 -3 0.911011 -0.068300 -1.354484 Rho 0.3186824E+03 3,-3 16 3 -3 -0.976353 1.371996 -0.007023 Rho 0.3186441E+03 3,-3 17 3 -3 -3.011345 0.015082 1.622483 Rho 0.3188781E+03 3,-3 18 3 -3 3.026850 -1.650434 0.046517 Rho 0.3188118E+03 3,-3 19 3 -3 -3.006953 0.084855 -1.601805 Rho 0.3189933E+03 3,-3 20 3 -3 3.091723 1.696873 0.003440 Rho 0.3188353E+03 3,-3 21 3 -3 1.493483 -3.377135 -1.655618 Rho 0.3191007E+03 3,-3 22 3 -3 1.192390 2.935029 1.343999 Rho 0.3188606E+03 3,-3 23 3 -3 -1.123799 -1.312396 -2.895023 Rho 0.3188337E+03 3,-3 24 3 -3 -1.118331 1.345416 3.014721 Rho 0.3188709E+03 3,-3 25 3 -3 -1.114934 1.341978 -2.910227 Rho 0.3188691E+03 3,-3 26 3 -3 -1.130023 -1.315497 2.946717 Rho 0.3188436E+03 3,-3 27 3 -3 1.174993 2.907558 -1.334640 Rho 0.3188689E+03 3,-3 28 3 -3 1.379315 -3.186140 1.605036 Rho 0.3192609E+03 3,-3 29 3 -3 3.433451 0.082474 2.140424 Rho 0.3189787E+03 3,-3 30 3 -3 -3.509155 -2.183846 0.003619 Rho 0.3188791E+03 3,-3 31 3 -3 3.467620 0.131840 -2.156554 Rho 0.3190192E+03 3,-3 32 3 -3 -3.521602 2.261243 -0.054717 Rho 0.3188780E+03 3,-3 33 3 -3 1.526995 1.385513 3.500491 Rho 0.3188948E+03 3,-3 34 3 -3 1.520038 -1.308014 -3.593311 Rho 0.3188919E+03 3,-3 35 3 -3 -1.539997 3.598071 1.405267 Rho 0.3188552E+03 3,-3 36 3 -3 -1.818962 -3.676481 -1.645677 Rho 0.3191958E+03 3,-3 37 3 -3 -1.801525 -3.602597 1.647080 Rho 0.3191810E+03 3,-3 38 3 -3 -1.557692 3.541804 -1.422369 Rho 0.3188801E+03 3,-3 39 3 -3 1.564675 -1.292007 3.525901 Rho 0.3188983E+03 3,-3 40 3 -3 1.520357 1.396349 -3.513007 Rho 0.3188928E+03 3,-3 41 3 -3 -0.174198 -0.018797 5.284555 Rho 0.3191742E+03 3,-3 42 3 -3 4.043448 -2.628043 -2.593260 Rho 0.3189975E+03 3,-3 43 3 -3 -0.256268 0.047176 -5.246808 Rho 0.3191749E+03 3,-3 44 3 -3 0.250227 5.381431 -0.042151 Rho 0.3190310E+03 3,-3 45 3 -3 3.911021 -2.660179 2.566344 Rho 0.3191177E+03 3,-3 46 3 -3 3.748660 2.895643 -2.526486 Rho 0.3191564E+03 3,-3 47 3 -3 -3.749879 2.487189 -2.871672 Rho 0.3191396E+03 3,-3 48 3 -3 -3.878628 -2.291402 2.813647 Rho 0.3191261E+03 3,-3 49 3 -3 -3.829958 -2.220753 -2.762912 Rho 0.3191291E+03 3,-3 50 3 -3 -3.847496 2.523848 2.853571 Rho 0.3190313E+03 3,-3 51 3 -3 3.769786 2.844466 2.531466 Rho 0.3191669E+03 3,-3 52 3 +1 -2.283486 -1.767916 0.117191 Rho 0.3231299E-01 |GRAD(Rho)| 0.7492808E-14 GRAD(Rho)x 0.6178318E-14 GRAD(Rho)y 0.4205430E-14 GRAD(Rho)z -0.5337718E-15 Laplacian 0.1280837E+00 (-1/4)Del**2(Rho)) -0.3202092E-01 Diamond 0.2190464E-01 Metallicity 0.1763659E+01 Ellipticity -0.3437675E+01 Gb(Abramov) 0.3075961E-01 Vb(Abramov) -0.2949830E-01 Hb(Abramov) 0.1261308E-02 Ex_ueg -0.7601301E-02 Ec_ueg -0.1463520E-02 Delta_ex -0.8385320E-02 Delta_ec 0.1904588E-02 Delta_et -0.1788178E-01 Pxc 0.5193850E+01 Qxc -0.4402694E+01 3,+1 53 3 -1 -1.790548 -1.618264 0.812702 Rho 0.5838209E-01 |GRAD(Rho)| 0.3217208E-13 GRAD(Rho)x 0.1577771E-13 GRAD(Rho)y 0.2526233E-13 GRAD(Rho)z -0.1216228E-13 Laplacian 0.2216316E+00 (-1/4)Del**2(Rho)) -0.5540791E-01 Diamond 0.1373303E+00 Metallicity 0.2731791E+01 Ellipticity 0.2191475E-01 Gb(Abramov) 0.6216575E-01 Vb(Abramov) -0.6892359E-01 Hb(Abramov) -0.6757838E-02 Ex_ueg -0.1672725E-01 Ec_ueg -0.2883190E-02 Delta_ex -0.1892512E-01 Delta_ec 0.6510093E-02 Delta_et -0.7140896E-01 Pxc 0.5801648E+01 Qxc -0.2907043E+01 3,-1 54 3 +1 -1.321266 2.410059 0.736543 Rho 0.2534052E-01 |GRAD(Rho)| 0.4487640E-13 GRAD(Rho)x -0.1282932E-13 GRAD(Rho)y 0.2953718E-13 GRAD(Rho)z 0.3125467E-13 Laplacian 0.8876679E-01 (-1/4)Del**2(Rho)) -0.2219170E-01 Diamond 0.1124586E-01 Metallicity 0.1697157E+01 Ellipticity -0.4948257E+01 Gb(Abramov) 0.2107160E-01 Vb(Abramov) -0.1995150E-01 Hb(Abramov) 0.1120101E-02 Ex_ueg -0.5497170E-02 Ec_ueg -0.1105874E-02 Delta_ex -0.5478717E-02 Delta_ec 0.1395448E-02 Delta_et -0.1238331E-01 Pxc 0.4970882E+01 Qxc -0.3926136E+01 3,+1 55 3 -1 -2.729548 -0.914006 -1.616969 Rho 0.7749296E-01 |GRAD(Rho)| 0.1127304E-13 GRAD(Rho)x 0.3230334E-14 GRAD(Rho)y 0.7509936E-14 GRAD(Rho)z -0.7761903E-14 Laplacian 0.3219540E+00 (-1/4)Del**2(Rho)) -0.8048849E-01 Diamond 0.2942332E+00 Metallicity 0.3014786E+01 Ellipticity 0.8379867E-02 Gb(Abramov) 0.9410159E-01 Vb(Abramov) -0.1077147E+00 Hb(Abramov) -0.1361310E-01 Ex_ueg -0.2440065E-01 Ec_ueg -0.3983216E-02 Delta_ex -0.2959833E-01 Delta_ec 0.9479867E-02 Delta_et -0.1115310E+00 Pxc 0.6125868E+01 Qxc -0.3122231E+01 3,-1 56 3 +1 -2.856081 -0.356070 -0.008032 Rho 0.5695871E-02 |GRAD(Rho)| 0.1286309E-16 GRAD(Rho)x -0.5150714E-18 GRAD(Rho)y -0.1409467E-17 GRAD(Rho)z -0.1277526E-16 Laplacian 0.2342679E-01 (-1/4)Del**2(Rho)) -0.5856698E-02 Diamond 0.4301738E-03 Metallicity 0.5343600E+00 Ellipticity -0.1180018E+01 Gb(Abramov) 0.4426063E-02 Vb(Abramov) -0.2995428E-02 Hb(Abramov) 0.1430635E-02 Ex_ueg -0.7512744E-03 Ec_ueg -0.1769808E-03 Delta_ex -0.1022394E-02 Delta_ec 0.4300463E-03 Delta_et -0.2550908E-02 Pxc 0.4244949E+01 Qxc -0.2377405E+01 3,+1 57 3 -1 -2.770773 -0.919483 1.650655 Rho 0.1084845E+00 |GRAD(Rho)| 0.1392448E-12 GRAD(Rho)x -0.2440802E-13 GRAD(Rho)y 0.1369886E-12 GRAD(Rho)z 0.5243797E-14 Laplacian 0.4583362E+00 (-1/4)Del**2(Rho)) -0.1145841E+00 Diamond 0.6273880E+00 Metallicity 0.3710012E+01 Ellipticity 0.2356937E-02 Gb(Abramov) 0.1472407E+00 Vb(Abramov) -0.1798974E+00 Hb(Abramov) -0.3265668E-01 Ex_ueg -0.3821279E-01 Ec_ueg -0.5841819E-02 Delta_ex -0.4550356E-01 Delta_ec 0.1251049E-01 Delta_et -0.1578168E+00 Pxc 0.6541248E+01 Qxc -0.3637231E+01 3,-1 58 3 +3 -2.380664 0.063258 0.003203 Rho 0.5362040E-02 |GRAD(Rho)| 0.1676162E-15 GRAD(Rho)x 0.1593762E-15 GRAD(Rho)y 0.5189590E-16 GRAD(Rho)z -0.1109197E-17 Laplacian 0.2232324E-01 (-1/4)Del**2(Rho)) -0.5580811E-02 Diamond 0.2408692E-03 Metallicity 0.5070756E+00 Ellipticity -0.3881230E+00 Gb(Abramov) 0.4192189E-02 Vb(Abramov) -0.2803568E-02 Hb(Abramov) 0.1388621E-02 Ex_ueg -0.6931467E-03 Ec_ueg -0.1625260E-03 Delta_ex -0.8450255E-03 Delta_ec 0.2030011E-03 Delta_et -0.1326281E-02 Pxc 0.4264836E+01 Qxc -0.4162665E+01 3,+3 59 3 +1 -1.739276 0.004736 -2.440673 Rho 0.1158351E-01 |GRAD(Rho)| 0.1259764E-16 GRAD(Rho)x 0.1659796E-17 GRAD(Rho)y -0.1239986E-16 GRAD(Rho)z -0.1479621E-17 Laplacian 0.5658321E-01 (-1/4)Del**2(Rho)) -0.1414580E-01 Diamond 0.2159858E-02 Metallicity 0.7222033E+00 Ellipticity -0.1273508E+01 Gb(Abramov) 0.1113323E-01 Vb(Abramov) -0.8120649E-02 Hb(Abramov) 0.3012576E-02 Ex_ueg -0.1935703E-02 Ec_ueg -0.4403768E-03 Delta_ex -0.2755478E-02 Delta_ec 0.7343133E-03 Delta_et -0.5458787E-02 Pxc 0.4395561E+01 Qxc -0.3752456E+01 3,+1 60 3 +1 -1.725998 0.058484 -0.721381 Rho 0.1001596E-01 |GRAD(Rho)| 0.5322926E-17 GRAD(Rho)x -0.4763814E-19 GRAD(Rho)y -0.5169867E-17 GRAD(Rho)z 0.1266392E-17 Laplacian 0.4092418E-01 (-1/4)Del**2(Rho)) -0.1023104E-01 Diamond 0.1305286E-02 Metallicity 0.7836472E+00 Ellipticity -0.1421488E+01 Gb(Abramov) 0.8156951E-02 Vb(Abramov) -0.6082858E-02 Hb(Abramov) 0.2074093E-02 Ex_ueg -0.1594563E-02 Ec_ueg -0.3687712E-03 Delta_ex -0.1927804E-02 Delta_ec 0.5476027E-03 Delta_et -0.3913417E-02 Pxc 0.4323990E+01 Qxc -0.3520443E+01 3,+1 61 3 +1 -1.725695 0.054839 0.709325 Rho 0.9675334E-02 |GRAD(Rho)| 0.1527487E-16 GRAD(Rho)x 0.8943791E-17 GRAD(Rho)y -0.9487562E-17 GRAD(Rho)z -0.7957159E-17 Laplacian 0.3850325E-01 (-1/4)Del**2(Rho)) -0.9625812E-02 Diamond 0.1160104E-02 Metallicity 0.7862472E+00 Ellipticity -0.1425809E+01 Gb(Abramov) 0.7678586E-02 Vb(Abramov) -0.5731360E-02 Hb(Abramov) 0.1947226E-02 Ex_ueg -0.1522672E-02 Ec_ueg -0.3533468E-03 Delta_ex -0.1793291E-02 Delta_ec 0.5074740E-03 Delta_et -0.3601612E-02 Pxc 0.4309285E+01 Qxc -0.3533758E+01 3,+1 62 3 +1 -0.226106 2.276790 -1.917591 Rho 0.6123738E-02 |GRAD(Rho)| 0.1109895E-13 GRAD(Rho)x -0.1022700E-13 GRAD(Rho)y 0.4302697E-14 GRAD(Rho)z 0.2862467E-15 Laplacian 0.2502813E-01 (-1/4)Del**2(Rho)) -0.6257031E-02 Diamond 0.6157965E-03 Metallicity 0.5643465E+00 Ellipticity -0.1822085E+01 Gb(Abramov) 0.4759877E-02 Vb(Abramov) -0.3262722E-02 Hb(Abramov) 0.1497155E-02 Ex_ueg -0.8274476E-03 Ec_ueg -0.1955878E-03 Delta_ex -0.1187887E-02 Delta_ec 0.5972575E-03 Delta_et -0.3521808E-02 Pxc 0.4230569E+01 Qxc -0.1988903E+01 3,+1 63 3 +1 -0.571118 0.832127 1.560355 Rho 0.8165141E-02 |GRAD(Rho)| 0.1313145E-16 GRAD(Rho)x -0.5447650E-18 GRAD(Rho)y 0.1678285E-17 GRAD(Rho)z -0.1301236E-16 Laplacian 0.3166951E-01 (-1/4)Del**2(Rho)) -0.7917376E-02 Diamond 0.7574095E-03 Metallicity 0.7204072E+00 Ellipticity -0.1387829E+01 Gb(Abramov) 0.6228873E-02 Vb(Abramov) -0.4540370E-02 Hb(Abramov) 0.1688503E-02 Ex_ueg -0.1214330E-02 Ec_ueg -0.2855655E-03 Delta_ex -0.1412372E-02 Delta_ec 0.4178266E-03 Delta_et -0.2840860E-02 Pxc 0.4252368E+01 Qxc -0.3380283E+01 3,+1 64 3 +1 -0.171017 -2.682649 -2.004798 Rho 0.2874253E-02 |GRAD(Rho)| 0.4778028E-12 GRAD(Rho)x 0.4698196E-12 GRAD(Rho)y 0.7689268E-13 GRAD(Rho)z 0.4065125E-13 Laplacian 0.1074026E-01 (-1/4)Del**2(Rho)) -0.2685066E-02 Diamond 0.9876046E-04 Metallicity 0.3727978E+00 Ellipticity -0.1516562E+01 Gb(Abramov) 0.1956875E-02 Vb(Abramov) -0.1228684E-02 Hb(Abramov) 0.7281908E-03 Ex_ueg -0.3018226E-03 Ec_ueg -0.5661256E-04 Delta_ex -0.4424892E-03 Delta_ec 0.2675331E-03 Delta_et -0.1258516E-02 Pxc 0.5331372E+01 Qxc -0.1653961E+01 3,+1 65 3 +1 -0.221327 -2.608328 2.015437 Rho 0.3318403E-02 |GRAD(Rho)| 0.4279914E-17 GRAD(Rho)x 0.3894350E-17 GRAD(Rho)y -0.1736649E-17 GRAD(Rho)z -0.3684384E-18 Laplacian 0.1306767E-01 (-1/4)Del**2(Rho)) -0.3266917E-02 Diamond 0.1451543E-03 Metallicity 0.3893111E+00 Ellipticity -0.1510844E+01 Gb(Abramov) 0.2389920E-02 Vb(Abramov) -0.1512922E-02 Hb(Abramov) 0.8769979E-03 Ex_ueg -0.3655588E-03 Ec_ueg -0.7528047E-04 Delta_ex -0.5527245E-03 Delta_ec 0.3238838E-03 Delta_et -0.1590720E-02 Pxc 0.4855958E+01 Qxc -0.1706552E+01 3,+1 66 3 -1 -1.750668 -1.639020 -0.814143 Rho 0.7570230E-01 |GRAD(Rho)| 0.1413062E-15 GRAD(Rho)x 0.7418992E-16 GRAD(Rho)y 0.2169844E-16 GRAD(Rho)z 0.1182898E-15 Laplacian 0.2943605E+00 (-1/4)Del**2(Rho)) -0.7359013E-01 Diamond 0.2567936E+00 Metallicity 0.3171384E+01 Ellipticity 0.3956486E-01 Gb(Abramov) 0.8795717E-01 Vb(Abramov) -0.1023242E+00 Hb(Abramov) -0.1436705E-01 Ex_ueg -0.2365178E-01 Ec_ueg -0.3878464E-02 Delta_ex -0.2680337E-01 Delta_ec 0.8500645E-02 Delta_et -0.9932647E-01 Pxc 0.6098234E+01 Qxc -0.3153098E+01 3,-1 67 3 -1 -1.743541 -1.633695 -2.296480 Rho 0.1333031E+00 |GRAD(Rho)| 0.1908451E-12 GRAD(Rho)x -0.1272795E-12 GRAD(Rho)y -0.6357579E-13 GRAD(Rho)z 0.1272002E-12 Laplacian 0.5568535E+00 (-1/4)Del**2(Rho)) -0.1392134E+00 Diamond 0.9912696E+00 Metallicity 0.4304663E+01 Ellipticity 0.1490083E-01 Gb(Abramov) 0.1926867E+00 Vb(Abramov) -0.2461600E+00 Hb(Abramov) -0.5347332E-01 Ex_ueg -0.5029274E-01 Ec_ueg -0.7383398E-02 Delta_ex -0.5824369E-01 Delta_ec 0.1479082E-01 Delta_et -0.1939464E+00 Pxc 0.6811598E+01 Qxc -0.3937826E+01 3,-1 68 3 -1 -1.784458 -1.613367 2.345408 Rho 0.1232475E+00 |GRAD(Rho)| 0.1189122E-15 GRAD(Rho)x 0.4668846E-16 GRAD(Rho)y 0.7840137E-16 GRAD(Rho)z -0.7624652E-16 Laplacian 0.5095334E+00 (-1/4)Del**2(Rho)) -0.1273834E+00 Diamond 0.8266245E+00 Metallicity 0.4127975E+01 Ellipticity 0.1334976E-01 Gb(Abramov) 0.1725615E+00 Vb(Abramov) -0.2177396E+00 Hb(Abramov) -0.4517811E-01 Ex_ueg -0.4529904E-01 Ec_ueg -0.6753668E-02 Delta_ex -0.5231684E-01 Delta_ec 0.1381409E-01 Delta_et -0.1788149E+00 Pxc 0.6707324E+01 Qxc -0.3787208E+01 3,-1 69 3 +1 -0.571034 -0.833794 -1.516766 Rho 0.9921871E-02 |GRAD(Rho)| 0.2122273E-16 GRAD(Rho)x 0.8548329E-18 GRAD(Rho)y -0.2005035E-16 GRAD(Rho)z -0.6903409E-17 Laplacian 0.4096800E-01 (-1/4)Del**2(Rho)) -0.1024200E-01 Diamond 0.1284396E-02 Metallicity 0.7705918E+00 Ellipticity -0.1402236E+01 Gb(Abramov) 0.8143399E-02 Vb(Abramov) -0.6044800E-02 Hb(Abramov) 0.2098600E-02 Ex_ueg -0.1574623E-02 Ec_ueg -0.3645058E-03 Delta_ex -0.1923101E-02 Delta_ec 0.5445061E-03 Delta_et -0.3885078E-02 Pxc 0.4319884E+01 Qxc -0.3531826E+01 3,+1 70 3 +1 -0.619677 -0.855056 1.505949 Rho 0.8768995E-02 |GRAD(Rho)| 0.3073714E-12 GRAD(Rho)x -0.1638437E-12 GRAD(Rho)y 0.2600084E-12 GRAD(Rho)z -0.5296146E-14 Laplacian 0.3551270E-01 (-1/4)Del**2(Rho)) -0.8878175E-02 Diamond 0.9641554E-03 Metallicity 0.7235678E+00 Ellipticity -0.1401064E+01 Gb(Abramov) 0.6989443E-02 Vb(Abramov) -0.5100712E-02 Hb(Abramov) 0.1888731E-02 Ex_ueg -0.1335523E-02 Ec_ueg -0.3125478E-03 Delta_ex -0.1625216E-02 Delta_ec 0.4905063E-03 Delta_et -0.3376837E-02 Pxc 0.4273022E+01 Qxc -0.3313344E+01 3,+1 71 3 +3 -1.141399 0.011451 -1.563973 Rho 0.5338926E-02 |GRAD(Rho)| 0.5315100E-16 GRAD(Rho)x 0.1061268E-16 GRAD(Rho)y 0.2608328E-16 GRAD(Rho)z 0.4507840E-16 Laplacian 0.2159288E-01 (-1/4)Del**2(Rho)) -0.5398221E-02 Diamond 0.1617327E-03 Metallicity 0.5204661E+00 Ellipticity -0.1410214E+00 Gb(Abramov) 0.4067079E-02 Vb(Abramov) -0.2735937E-02 Hb(Abramov) 0.1331142E-02 Ex_ueg -0.6891657E-03 Ec_ueg -0.1615272E-03 Delta_ex -0.7569991E-03 Delta_ec 0.9019277E-04 Delta_et -0.7361404E-03 Pxc 0.4266561E+01 Qxc -0.8393124E+01 3,+3 72 3 -1 1.718613 0.815223 -1.595988 Rho 0.3772174E-01 |GRAD(Rho)| 0.3361877E-12 GRAD(Rho)x 0.3192777E-12 GRAD(Rho)y 0.2521175E-14 GRAD(Rho)z -0.1052499E-12 Laplacian 0.1361536E+00 (-1/4)Del**2(Rho)) -0.3403841E-01 Diamond 0.4463520E-01 Metallicity 0.2147353E+01 Ellipticity 0.5507854E-01 Gb(Abramov) 0.3487435E-01 Vb(Abramov) -0.3571030E-01 Hb(Abramov) -0.8359432E-03 Ex_ueg -0.9343452E-02 Ec_ueg -0.1748364E-02 Delta_ex -0.1029541E-01 Delta_ec 0.3793768E-02 Delta_et -0.3708918E-01 Pxc 0.5344110E+01 Qxc -0.2713769E+01 3,-1 73 3 +1 2.157435 -0.203463 1.724939 Rho 0.2358247E-01 |GRAD(Rho)| 0.4583803E-16 GRAD(Rho)x -0.3367932E-16 GRAD(Rho)y -0.3977929E-17 GRAD(Rho)z -0.3083836E-16 Laplacian 0.8837764E-01 (-1/4)Del**2(Rho)) -0.2209441E-01 Diamond 0.1015559E-01 Metallicity 0.1512120E+01 Ellipticity -0.3118878E+01 Gb(Abramov) 0.2029784E-01 Vb(Abramov) -0.1850127E-01 Hb(Abramov) 0.1796571E-02 Ex_ueg -0.4994638E-02 Ec_ueg -0.1017612E-02 Delta_ex -0.5351758E-02 Delta_ec 0.1392608E-02 Delta_et -0.1214687E-01 Pxc 0.4908196E+01 Qxc -0.3842974E+01 3,+1 74 3 +3 1.988301 -0.022838 -2.739056 Rho 0.1146617E-01 |GRAD(Rho)| 0.1268665E-13 GRAD(Rho)x 0.3111631E-14 GRAD(Rho)y -0.1130536E-13 GRAD(Rho)z 0.4843320E-14 Laplacian 0.4982613E-01 (-1/4)Del**2(Rho)) -0.1245653E-01 Diamond 0.1225736E-02 Metallicity 0.8063435E+00 Ellipticity -0.8773749E+00 Gb(Abramov) 0.9978395E-02 Vb(Abramov) -0.7500258E-02 Hb(Abramov) 0.2478137E-02 Ex_ueg -0.1909602E-02 Ec_ueg -0.4349820E-03 Delta_ex -0.2220401E-02 Delta_ec 0.2903711E-03 Delta_et -0.2433475E-02 Pxc 0.4390072E+01 Qxc -0.7646770E+01 3,+3 75 3 +1 -0.191711 2.262530 1.986305 Rho 0.5502330E-02 |GRAD(Rho)| 0.3611393E-15 GRAD(Rho)x -0.2538800E-15 GRAD(Rho)y 0.2077349E-15 GRAD(Rho)z -0.1510388E-15 Laplacian 0.2165602E-01 (-1/4)Del**2(Rho)) -0.5414005E-02 Diamond 0.4938643E-03 Metallicity 0.5456895E+00 Ellipticity -0.2132721E+01 Gb(Abramov) 0.4101731E-02 Vb(Abramov) -0.2789457E-02 Hb(Abramov) 0.1312274E-02 Ex_ueg -0.7174318E-03 Ec_ueg -0.1685938E-03 Delta_ex -0.1031110E-02 Delta_ec 0.5644097E-03 Delta_et -0.3201489E-02 Pxc 0.4255387E+01 Qxc -0.1826883E+01 3,+1 76 3 +3 0.021311 1.603608 -1.593184 Rho 0.4995401E-02 |GRAD(Rho)| 0.3621123E-14 GRAD(Rho)x 0.1780375E-14 GRAD(Rho)y -0.3100365E-14 GRAD(Rho)z 0.5749149E-15 Laplacian 0.2082331E-01 (-1/4)Del**2(Rho)) -0.5205828E-02 Diamond 0.1836321E-03 Metallicity 0.4830743E+00 Ellipticity -0.2938444E+00 Gb(Abramov) 0.3889686E-02 Vb(Abramov) -0.2573543E-02 Hb(Abramov) 0.1316142E-02 Ex_ueg -0.6306845E-03 Ec_ueg -0.1467149E-03 Delta_ex -0.7549470E-03 Delta_ec 0.1554676E-03 Delta_et -0.1046355E-02 Pxc 0.4298709E+01 Qxc -0.4855978E+01 3,+3 77 3 +1 0.505068 1.517374 -0.847764 Rho 0.8190434E-02 |GRAD(Rho)| 0.2982035E-17 GRAD(Rho)x 0.2054848E-18 GRAD(Rho)y -0.2724891E-17 GRAD(Rho)z -0.1193850E-17 Laplacian 0.3235037E-01 (-1/4)Del**2(Rho)) -0.8087593E-02 Diamond 0.8041147E-03 Metallicity 0.7088898E+00 Ellipticity -0.1406181E+01 Gb(Abramov) 0.6347264E-02 Vb(Abramov) -0.4606935E-02 Hb(Abramov) 0.1740329E-02 Ex_ueg -0.1219348E-02 Ec_ueg -0.2866924E-03 Delta_ex -0.1456931E-02 Delta_ec 0.4501217E-03 Delta_et -0.3042346E-02 Pxc 0.4253157E+01 Qxc -0.3236749E+01 3,+1 78 3 +1 0.509030 1.534119 0.839727 Rho 0.7799655E-02 |GRAD(Rho)| 0.1312447E-16 GRAD(Rho)x 0.3436348E-17 GRAD(Rho)y -0.1266441E-16 GRAD(Rho)z 0.2366294E-18 Laplacian 0.3046686E-01 (-1/4)Del**2(Rho)) -0.7616716E-02 Diamond 0.7041526E-03 Metallicity 0.6938161E+00 Ellipticity -0.1392823E+01 Gb(Abramov) 0.5958577E-02 Vb(Abramov) -0.4300439E-02 Hb(Abramov) 0.1658139E-02 Ex_ueg -0.1142402E-02 Ec_ueg -0.2693140E-03 Delta_ex -0.1353064E-02 Delta_ec 0.4199064E-03 Delta_et -0.2805989E-02 Pxc 0.4241896E+01 Qxc -0.3222300E+01 3,+1 79 3 +3 -0.007359 1.630361 1.628611 Rho 0.4505531E-02 |GRAD(Rho)| 0.7496129E-15 GRAD(Rho)x 0.3460303E-15 GRAD(Rho)y -0.6553402E-15 GRAD(Rho)z -0.1127464E-15 Laplacian 0.1832075E-01 (-1/4)Del**2(Rho)) -0.4580187E-02 Diamond 0.1427186E-03 Metallicity 0.4622888E+00 Ellipticity -0.2754263E+00 Gb(Abramov) 0.3406353E-02 Vb(Abramov) -0.2232518E-02 Hb(Abramov) 0.1173834E-02 Ex_ueg -0.5495996E-03 Ec_ueg -0.1256963E-03 Delta_ex -0.6488895E-03 Delta_ec 0.1412209E-03 Delta_et -0.9212438E-03 Pxc 0.4372442E+01 Qxc -0.4594855E+01 3,+3 80 3 +1 0.212966 1.956817 -2.221807 Rho 0.6292883E-02 |GRAD(Rho)| 0.2310175E-15 GRAD(Rho)x 0.1561958E-15 GRAD(Rho)y -0.1044074E-15 GRAD(Rho)z -0.1344286E-15 Laplacian 0.2617875E-01 (-1/4)Del**2(Rho)) -0.6544687E-02 Diamond 0.7622146E-03 Metallicity 0.5646081E+00 Ellipticity -0.2586831E+01 Gb(Abramov) 0.4978989E-02 Vb(Abramov) -0.3413290E-02 Hb(Abramov) 0.1565699E-02 Ex_ueg -0.8580606E-03 Ec_ueg -0.2029682E-03 Delta_ex -0.1314094E-02 Delta_ec 0.7393812E-03 Delta_et -0.4335128E-02 Pxc 0.4227562E+01 Qxc -0.1777289E+01 3,+1 81 3 -1 0.054259 2.071753 -2.110437 Rho 0.6341985E-02 |GRAD(Rho)| 0.1449224E-16 GRAD(Rho)x 0.9944466E-17 GRAD(Rho)y 0.7060679E-17 GRAD(Rho)z 0.7828116E-17 Laplacian 0.2533554E-01 (-1/4)Del**2(Rho)) -0.6333886E-02 Diamond 0.9274708E-03 Metallicity 0.5910056E+00 Ellipticity 0.1883917E+01 Gb(Abramov) 0.4846484E-02 Vb(Abramov) -0.3359083E-02 Hb(Abramov) 0.1487402E-02 Ex_ueg -0.8669992E-03 Ec_ueg -0.2051133E-03 Delta_ex -0.1396928E-02 Delta_ec 0.9353732E-03 Delta_et -0.5401127E-02 Pxc 0.4226928E+01 Qxc -0.1493445E+01 3,-1 82 3 +1 -1.159433 2.509819 -0.627200 Rho 0.2655835E-01 |GRAD(Rho)| 0.6646383E-16 GRAD(Rho)x 0.2770322E-16 GRAD(Rho)y -0.5126904E-16 GRAD(Rho)z 0.3196025E-16 Laplacian 0.9793291E-01 (-1/4)Del**2(Rho)) -0.2448323E-01 Diamond 0.1280900E-01 Metallicity 0.1663488E+01 Ellipticity -0.3417435E+01 Gb(Abramov) 0.2311008E-01 Vb(Abramov) -0.2173693E-01 Hb(Abramov) 0.1373150E-02 Ex_ueg -0.5852209E-02 Ec_ueg -0.1167490E-02 Delta_ex -0.6078881E-02 Delta_ec 0.1462984E-02 Delta_et -0.1314284E-01 Pxc 0.5012640E+01 Qxc -0.4155125E+01 3,+1 83 3 -1 -0.559040 2.439481 -0.000582 Rho 0.4913027E-01 |GRAD(Rho)| 0.1431951E-15 GRAD(Rho)x -0.8121437E-16 GRAD(Rho)y -0.1156073E-15 GRAD(Rho)z 0.2332438E-16 Laplacian 0.2016737E+00 (-1/4)Del**2(Rho)) -0.5041844E-01 Diamond 0.1051617E+00 Metallicity 0.2251883E+01 Ellipticity 0.1467201E-01 Gb(Abramov) 0.5253503E-01 Vb(Abramov) -0.5465161E-01 Hb(Abramov) -0.2116589E-02 Ex_ueg -0.1328976E-01 Ec_ueg -0.2366855E-02 Delta_ex -0.1676263E-01 Delta_ec 0.6430336E-02 Delta_et -0.6760960E-01 Pxc 0.5614946E+01 Qxc -0.2606805E+01 3,-1 84 3 +1 1.339457 -0.794933 2.303806 Rho 0.2782518E-01 |GRAD(Rho)| 0.1512239E-13 GRAD(Rho)x 0.1071043E-13 GRAD(Rho)y -0.9832710E-14 GRAD(Rho)z -0.4158274E-14 Laplacian 0.1063267E+00 (-1/4)Del**2(Rho)) -0.2658169E-01 Diamond 0.1519390E-01 Metallicity 0.1655899E+01 Ellipticity -0.3494440E+01 Gb(Abramov) 0.2505722E-01 Vb(Abramov) -0.2353276E-01 Hb(Abramov) 0.1524462E-02 Ex_ueg -0.6227337E-02 Ec_ueg -0.1231983E-02 Delta_ex -0.6718653E-02 Delta_ec 0.1649308E-02 Delta_et -0.1496508E-01 Pxc 0.5054726E+01 Qxc -0.4073618E+01 3,+1 85 3 -1 0.548489 3.226761 -0.700595 Rho 0.1155320E+00 |GRAD(Rho)| 0.9629601E-14 GRAD(Rho)x 0.5804859E-14 GRAD(Rho)y -0.6677235E-14 GRAD(Rho)z -0.3800969E-14 Laplacian 0.4986177E+00 (-1/4)Del**2(Rho)) -0.1246544E+00 Diamond 0.7683697E+00 Metallicity 0.3787472E+01 Ellipticity 0.1225426E-01 Gb(Abramov) 0.1617905E+00 Vb(Abramov) -0.1989265E+00 Hb(Abramov) -0.3713605E-01 Ex_ueg -0.4155802E-01 Ec_ueg -0.6275173E-02 Delta_ex -0.5069834E-01 Delta_ec 0.1422447E-01 Delta_et -0.1827787E+00 Pxc 0.6622610E+01 Qxc -0.3564163E+01 3,-1 86 3 -1 0.557586 3.241483 0.707802 Rho 0.1142017E+00 |GRAD(Rho)| 0.2114988E-09 GRAD(Rho)x 0.1416895E-09 GRAD(Rho)y -0.7219092E-10 GRAD(Rho)z 0.1394428E-09 Laplacian 0.4909867E+00 (-1/4)Del**2(Rho)) -0.1227467E+00 Diamond 0.7472280E+00 Metallicity 0.3772806E+01 Ellipticity 0.1346472E-01 Gb(Abramov) 0.1590143E+00 Vb(Abramov) -0.1952820E+00 Hb(Abramov) -0.3626767E-01 Ex_ueg -0.4092122E-01 Ec_ueg -0.6193095E-02 Delta_ex -0.4980291E-01 Delta_ec 0.1407117E-01 Delta_et -0.1804513E+00 Pxc 0.6607555E+01 Qxc -0.3539358E+01 3,-1 87 3 +3 -0.167946 -2.220025 1.410125 Rho 0.2666512E-02 |GRAD(Rho)| 0.3277868E-17 GRAD(Rho)x 0.2296040E-18 GRAD(Rho)y 0.2834438E-17 GRAD(Rho)z -0.1630233E-17 Laplacian 0.1072220E-01 (-1/4)Del**2(Rho)) -0.2680551E-02 Diamond 0.6812659E-04 Metallicity 0.3295351E+00 Ellipticity -0.6640703E+00 Gb(Abramov) 0.1934256E-02 Vb(Abramov) -0.1187962E-02 Hb(Abramov) 0.7462944E-03 Ex_ueg -0.2730925E-03 Ec_ueg -0.4791829E-04 Delta_ex -0.3902997E-03 Delta_ec 0.1864703E-03 Delta_et -0.9000980E-03 Pxc 0.5699128E+01 Qxc -0.2093093E+01 3,+3 88 3 +1 -1.742321 0.016634 2.491902 Rho 0.1158213E-01 |GRAD(Rho)| 0.8471104E-15 GRAD(Rho)x 0.5702857E-15 GRAD(Rho)y 0.4483013E-15 GRAD(Rho)z 0.4374885E-15 Laplacian 0.5484517E-01 (-1/4)Del**2(Rho)) -0.1371129E-01 Diamond 0.2021773E-02 Metallicity 0.7449415E+00 Ellipticity -0.1267595E+01 Gb(Abramov) 0.1084321E-01 Vb(Abramov) -0.7975135E-02 Hb(Abramov) 0.2868079E-02 Ex_ueg -0.1935395E-02 Ec_ueg -0.4403132E-03 Delta_ex -0.2649125E-02 Delta_ec 0.6731372E-03 Delta_et -0.5034099E-02 Pxc 0.4395497E+01 Qxc -0.3935490E+01 3,+1 89 3 +1 1.362222 0.758649 -2.289477 Rho 0.2530425E-01 |GRAD(Rho)| 0.2029753E-14 GRAD(Rho)x -0.1143327E-14 GRAD(Rho)y 0.1657727E-14 GRAD(Rho)z -0.2542460E-15 Laplacian 0.9121332E-01 (-1/4)Del**2(Rho)) -0.2280333E-01 Diamond 0.1038378E-01 Metallicity 0.1647697E+01 Ellipticity -0.2634426E+01 Gb(Abramov) 0.2146438E-01 Vb(Abramov) -0.2012544E-01 Hb(Abramov) 0.1338946E-02 Ex_ueg -0.5486681E-02 Ec_ueg -0.1104045E-02 Delta_ex -0.5504722E-02 Delta_ec 0.1214631E-02 Delta_et -0.1082793E-01 Pxc 0.4969617E+01 Qxc -0.4532011E+01 3,+1 90 3 +1 1.697982 0.747247 -0.004787 Rho 0.6677360E-02 |GRAD(Rho)| 0.1743103E-16 GRAD(Rho)x -0.1185465E-16 GRAD(Rho)y 0.1041639E-16 GRAD(Rho)z 0.7403177E-17 Laplacian 0.2560697E-01 (-1/4)Del**2(Rho)) -0.6401742E-02 Diamond 0.4905024E-03 Metallicity 0.6371813E+00 Ellipticity -0.1377896E+01 Gb(Abramov) 0.4947673E-02 Vb(Abramov) -0.3493604E-02 Hb(Abramov) 0.1454069E-02 Ex_ueg -0.9286630E-03 Ec_ueg -0.2197956E-03 Delta_ex -0.1101104E-02 Delta_ec 0.3657576E-03 Delta_et -0.2336527E-02 Pxc 0.4225121E+01 Qxc -0.3010475E+01 3,+1 91 3 -1 1.704505 0.810407 1.584320 Rho 0.3747778E-01 |GRAD(Rho)| 0.2190069E-09 GRAD(Rho)x -0.1468545E-09 GRAD(Rho)y -0.1548428E-09 GRAD(Rho)z -0.4920828E-10 Laplacian 0.1345861E+00 (-1/4)Del**2(Rho)) -0.3364653E-01 Diamond 0.4371627E-01 Metallicity 0.2148998E+01 Ellipticity 0.4401429E-01 Gb(Abramov) 0.3448207E-01 Vb(Abramov) -0.3531762E-01 Hb(Abramov) -0.8355432E-03 Ex_ueg -0.9262969E-02 Ec_ueg -0.1735390E-02 Delta_ex -0.1015929E-01 Delta_ec 0.3748318E-02 Delta_et -0.3658121E-01 Pxc 0.5337686E+01 Qxc -0.2710361E+01 3,-1 92 3 +1 1.325258 0.735127 2.295675 Rho 0.2500138E-01 |GRAD(Rho)| 0.9957053E-16 GRAD(Rho)x 0.1867172E-16 GRAD(Rho)y 0.6604550E-16 GRAD(Rho)z 0.7213633E-16 Laplacian 0.9087430E-01 (-1/4)Del**2(Rho)) -0.2271858E-01 Diamond 0.1071120E-01 Metallicity 0.1620984E+01 Ellipticity -0.2985314E+01 Gb(Abramov) 0.2128346E-01 Vb(Abramov) -0.1984834E-01 Hb(Abramov) 0.1435119E-02 Ex_ueg -0.5399294E-02 Ec_ueg -0.1088783E-02 Delta_ex -0.5524364E-02 Delta_ec 0.1314235E-02 Delta_et -0.1165399E-01 Pxc 0.4959015E+01 Qxc -0.4203483E+01 3,+1 93 3 +3 1.128077 1.489414 0.008267 Rho 0.4351433E-02 |GRAD(Rho)| 0.6590397E-17 GRAD(Rho)x 0.1062942E-17 GRAD(Rho)y 0.5322339E-17 GRAD(Rho)z -0.3738474E-17 Laplacian 0.1675011E-01 (-1/4)Del**2(Rho)) -0.4187528E-02 Diamond 0.1008074E-03 Metallicity 0.4771437E+00 Ellipticity -0.2371806E+00 Gb(Abramov) 0.3124694E-02 Vb(Abramov) -0.2061860E-02 Hb(Abramov) 0.1062834E-02 Ex_ueg -0.5246803E-03 Ec_ueg -0.1191100E-03 Delta_ex -0.5614713E-03 Delta_ec 0.8193035E-04 Delta_et -0.6091972E-03 Pxc 0.4405008E+01 Qxc -0.6853031E+01 3,+3 94 3 -1 0.493961 -0.030194 2.391076 Rho 0.5629650E-01 |GRAD(Rho)| 0.2348278E-15 GRAD(Rho)x 0.6539687E-16 GRAD(Rho)y -0.5178389E-17 GRAD(Rho)z -0.2254785E-15 Laplacian 0.2109489E+00 (-1/4)Del**2(Rho)) -0.5273723E-01 Diamond 0.1229157E+00 Metallicity 0.2701292E+01 Ellipticity 0.1003434E-01 Gb(Abramov) 0.5890127E-01 Vb(Abramov) -0.6506530E-01 Hb(Abramov) -0.6164035E-02 Ex_ueg -0.1593530E-01 Ec_ueg -0.2765768E-02 Delta_ex -0.1779193E-01 Delta_ec 0.6100368E-02 Delta_et -0.6626016E-01 Pxc 0.5761620E+01 Qxc -0.2916534E+01 3,-1 95 3 +3 2.335000 0.030524 -0.016172 Rho 0.3851594E-02 |GRAD(Rho)| 0.6967545E-14 GRAD(Rho)x -0.4977751E-14 GRAD(Rho)y -0.7504408E-15 GRAD(Rho)z 0.4817211E-14 Laplacian 0.1587724E-01 (-1/4)Del**2(Rho)) -0.3969309E-02 Diamond 0.1105514E-03 Metallicity 0.4107452E+00 Ellipticity -0.2714630E+00 Gb(Abramov) 0.2917935E-02 Vb(Abramov) -0.1866561E-02 Hb(Abramov) 0.1051374E-02 Ex_ueg -0.4459017E-03 Ec_ueg -0.9783199E-04 Delta_ex -0.5538431E-03 Delta_ec 0.1472500E-03 Delta_et -0.8847999E-03 Pxc 0.4557831E+01 Qxc -0.3761243E+01 3,+3 96 3 -1 1.666479 -0.943547 1.568660 Rho 0.4364000E-01 |GRAD(Rho)| 0.9853503E-13 GRAD(Rho)x 0.6317944E-13 GRAD(Rho)y -0.7236411E-13 GRAD(Rho)z 0.2193047E-13 Laplacian 0.1569935E+00 (-1/4)Del**2(Rho)) -0.3924837E-01 Diamond 0.6457028E-01 Metallicity 0.2374321E+01 Ellipticity 0.2485986E-01 Gb(Abramov) 0.4169696E-01 Vb(Abramov) -0.4414554E-01 Hb(Abramov) -0.2448582E-02 Ex_ueg -0.1134744E-01 Ec_ueg -0.2066456E-02 Delta_ex -0.1240807E-01 Delta_ec 0.4537066E-02 Delta_et -0.4613006E-01 Pxc 0.5491258E+01 Qxc -0.2734822E+01 3,-1 97 3 -1 -0.170656 -3.517407 -1.657240 Rho 0.4418587E-02 |GRAD(Rho)| 0.1122092E-16 GRAD(Rho)x 0.1101066E-16 GRAD(Rho)y 0.2037046E-17 GRAD(Rho)z -0.7243974E-18 Laplacian 0.1540014E-01 (-1/4)Del**2(Rho)) -0.3850036E-02 Diamond 0.4479181E-03 Metallicity 0.5323869E+00 Ellipticity 0.1163575E+00 Gb(Abramov) 0.2908309E-02 Vb(Abramov) -0.1966581E-02 Hb(Abramov) 0.9417272E-03 Ex_ueg -0.5355042E-03 Ec_ueg -0.1219787E-03 Delta_ex -0.9052023E-03 Delta_ec 0.7659609E-03 Delta_et -0.3893071E-02 Pxc 0.4390147E+01 Qxc -0.1181786E+01 3,-1 98 3 -1 1.965621 -2.694676 -1.765860 Rho 0.2023843E+00 |GRAD(Rho)| 0.3613677E-15 GRAD(Rho)x -0.9822872E-16 GRAD(Rho)y -0.3460773E-15 GRAD(Rho)z 0.3417947E-16 Laplacian 0.7888969E+00 (-1/4)Del**2(Rho)) -0.1972242E+00 Diamond 0.2269657E+01 Metallicity 0.6093793E+01 Ellipticity 0.8081950E-02 Gb(Abramov) 0.3317901E+00 Vb(Abramov) -0.4663559E+00 Hb(Abramov) -0.1345659E+00 Ex_ueg -0.8775817E-01 Ec_ueg -0.1187773E-01 Delta_ex -0.9118288E-01 Delta_ec 0.1825857E-01 Delta_et -0.2503855E+00 Pxc 0.7388461E+01 Qxc -0.4993978E+01 3,-1 99 3 -1 -0.201138 -3.389736 1.633438 Rho 0.5170677E-02 |GRAD(Rho)| 0.8579685E-17 GRAD(Rho)x -0.4572109E-17 GRAD(Rho)y 0.6948171E-17 GRAD(Rho)z 0.2104694E-17 Laplacian 0.1924546E-01 (-1/4)Del**2(Rho)) -0.4811365E-02 Diamond 0.7033724E-03 Metallicity 0.5536015E+00 Ellipticity 0.9400807E-01 Gb(Abramov) 0.3651507E-02 Vb(Abramov) -0.2491648E-02 Hb(Abramov) 0.1159859E-02 Ex_ueg -0.6603613E-03 Ec_ueg -0.1542651E-03 Delta_ex -0.1170738E-02 Delta_ec 0.9767486E-03 Delta_et -0.5208980E-02 Pxc 0.4280691E+01 Qxc -0.1198607E+01 3,-1 100 3 -1 1.891778 -2.568395 1.719009 Rho 0.2290760E+00 |GRAD(Rho)| 0.1365461E-15 GRAD(Rho)x 0.9801188E-16 GRAD(Rho)y 0.9394612E-16 GRAD(Rho)z 0.1458252E-16 Laplacian 0.8854355E+00 (-1/4)Del**2(Rho)) -0.2213589E+00 Diamond 0.2937570E+01 Metallicity 0.6674556E+01 Ellipticity 0.3881380E-02 Gb(Abramov) 0.3938179E+00 Vb(Abramov) -0.5662770E+00 Hb(Abramov) -0.1724591E+00 Ex_ueg -0.1035201E+00 Ec_ueg -0.1368724E-01 Delta_ex -0.1055567E+00 Delta_ec 0.1959407E-01 Delta_et -0.2699264E+00 Pxc 0.7563254E+01 Qxc -0.5387172E+01 3,-1 101 3 +1 3.024600 0.018295 -0.200462 Rho 0.4706392E-02 |GRAD(Rho)| 0.3617193E-17 GRAD(Rho)x -0.4420064E-18 GRAD(Rho)y 0.3066477E-17 GRAD(Rho)z 0.1866932E-17 Laplacian 0.1882795E-01 (-1/4)Del**2(Rho)) -0.4706987E-02 Diamond 0.3972852E-03 Metallicity 0.4837530E+00 Ellipticity -0.2668792E+01 Gb(Abramov) 0.3517495E-02 Vb(Abramov) -0.2328002E-02 Hb(Abramov) 0.1189492E-02 Ex_ueg -0.5825089E-03 Ec_ueg -0.1342996E-03 Delta_ex -0.9177556E-03 Delta_ec 0.5794239E-03 Delta_et -0.3095525E-02 Pxc 0.4337383E+01 Qxc -0.1583911E+01 3,+1 102 3 +1 2.061056 0.021247 2.874178 Rho 0.1227667E-01 |GRAD(Rho)| 0.2000305E-16 GRAD(Rho)x 0.1628147E-16 GRAD(Rho)y 0.4113469E-17 GRAD(Rho)z -0.1086808E-16 Laplacian 0.5693091E-01 (-1/4)Del**2(Rho)) -0.1423273E-01 Diamond 0.1917276E-02 Metallicity 0.7907992E+00 Ellipticity -0.1156061E+01 Gb(Abramov) 0.1136436E-01 Vb(Abramov) -0.8495985E-02 Hb(Abramov) 0.2868371E-02 Ex_ueg -0.2091667E-02 Ec_ueg -0.4723562E-03 Delta_ex -0.2692961E-02 Delta_ec 0.5205425E-03 Delta_et -0.4090784E-02 Pxc 0.4428157E+01 Qxc -0.5173373E+01 3,+1 103 3 +1 2.046521 -0.014218 -2.831512 Rho 0.1148032E-01 |GRAD(Rho)| 0.2629346E-16 GRAD(Rho)x -0.2300188E-16 GRAD(Rho)y -0.4247554E-17 GRAD(Rho)z -0.1200907E-16 Laplacian 0.5038505E-01 (-1/4)Del**2(Rho)) -0.1259626E-01 Diamond 0.1454661E-02 Metallicity 0.7990391E+00 Ellipticity -0.1094057E+01 Gb(Abramov) 0.1007499E-01 Vb(Abramov) -0.7553724E-02 Hb(Abramov) 0.2521270E-02 Ex_ueg -0.1912745E-02 Ec_ueg -0.4356322E-03 Delta_ex -0.2311412E-02 Delta_ec 0.4102328E-03 Delta_et -0.3234496E-02 Pxc 0.4390733E+01 Qxc -0.5634389E+01 3,+1 104 3 -1 3.043617 0.865196 -2.022527 Rho 0.1842753E+00 |GRAD(Rho)| 0.1662815E-13 GRAD(Rho)x 0.7097486E-14 GRAD(Rho)y 0.1435359E-13 GRAD(Rho)z -0.4482803E-14 Laplacian 0.7246226E+00 (-1/4)Del**2(Rho)) -0.1811556E+00 Diamond 0.1861789E+01 Metallicity 0.5674746E+01 Ellipticity 0.3965663E-01 Gb(Abramov) 0.2921058E+00 Vb(Abramov) -0.4030560E+00 Hb(Abramov) -0.1109502E+00 Ex_ueg -0.7744757E-01 Ec_ueg -0.1067266E-01 Delta_ex -0.8177230E-01 Delta_ec 0.1719129E-01 Delta_et -0.2338211E+00 Pxc 0.7256631E+01 Qxc -0.4756611E+01 3,-1 105 3 -1 -3.255137 -2.143868 2.293949 Rho 0.2144500E+00 |GRAD(Rho)| 0.3279588E-15 GRAD(Rho)x -0.3218996E-15 GRAD(Rho)y -0.6274820E-16 GRAD(Rho)z -0.4878910E-18 Laplacian 0.8072644E+00 (-1/4)Del**2(Rho)) -0.2018161E+00 Diamond 0.2498243E+01 Metallicity 0.6558543E+01 Ellipticity 0.2737989E-01 Gb(Abramov) 0.3551474E+00 Vb(Abramov) -0.5084786E+00 Hb(Abramov) -0.1533312E+00 Ex_ueg -0.9480249E-01 Ec_ueg -0.1269082E-01 Delta_ex -0.9475589E-01 Delta_ec 0.1847560E-01 Delta_et -0.2547231E+00 Pxc 0.7470161E+01 Qxc -0.5128704E+01 3,-1 106 3 -1 -3.194355 -2.126844 -2.243428 Rho 0.2130717E+00 |GRAD(Rho)| 0.7250098E-14 GRAD(Rho)x 0.1058073E-14 GRAD(Rho)y 0.6808187E-14 GRAD(Rho)z 0.2256767E-14 Laplacian 0.8149284E+00 (-1/4)Del**2(Rho)) -0.2037321E+00 Diamond 0.2492908E+01 Metallicity 0.6427419E+01 Ellipticity 0.2604551E-01 Gb(Abramov) 0.3540667E+00 Vb(Abramov) -0.5044012E+00 Hb(Abramov) -0.1503346E+00 Ex_ueg -0.9399095E-01 Ec_ueg -0.1259753E-01 Delta_ex -0.9543703E-01 Delta_ec 0.1857821E-01 Delta_et -0.2556284E+00 Pxc 0.7461060E+01 Qxc -0.5137041E+01 3,-1 107 3 -1 -3.032553 -2.078588 0.788823 Rho 0.1367673E+00 |GRAD(Rho)| 0.1730162E-15 GRAD(Rho)x -0.2179246E-16 GRAD(Rho)y -0.5582794E-16 GRAD(Rho)z 0.1623051E-15 Laplacian 0.5164011E+00 (-1/4)Del**2(Rho)) -0.1291003E+00 Diamond 0.9552719E+00 Metallicity 0.4844661E+01 Ellipticity 0.4726707E-01 Gb(Abramov) 0.1903080E+00 Vb(Abramov) -0.2515158E+00 Hb(Abramov) -0.6120775E-01 Ex_ueg -0.5204292E-01 Ec_ueg -0.7601893E-02 Delta_ex -0.5442976E-01 Delta_ec 0.1377793E-01 Delta_et -0.1816965E+00 Pxc 0.6846047E+01 Qxc -0.3950504E+01 3,-1 108 3 -1 -3.065354 2.072669 -0.811043 Rho 0.1497144E+00 |GRAD(Rho)| 0.1804400E-15 GRAD(Rho)x 0.3972246E-16 GRAD(Rho)y 0.1199602E-15 GRAD(Rho)z -0.1288032E-15 Laplacian 0.5792436E+00 (-1/4)Del**2(Rho)) -0.1448109E+00 Diamond 0.1173806E+01 Metallicity 0.5021782E+01 Ellipticity 0.3318553E-01 Gb(Abramov) 0.2177421E+00 Vb(Abramov) -0.2906732E+00 Hb(Abramov) -0.7293116E-01 Ex_ueg -0.5871330E-01 Ec_ueg -0.8425234E-02 Delta_ex -0.6220267E-01 Delta_ec 0.1475101E-01 Delta_et -0.1964218E+00 Pxc 0.6968744E+01 Qxc -0.4216842E+01 3,-1 109 3 +1 -2.234571 1.785900 0.164691 Rho 0.2524755E-01 |GRAD(Rho)| 0.1573170E-14 GRAD(Rho)x -0.5617353E-15 GRAD(Rho)y -0.1162314E-14 GRAD(Rho)z -0.8990806E-15 Laplacian 0.8991398E-01 (-1/4)Del**2(Rho)) -0.2247850E-01 Diamond 0.1006473E-01 Metallicity 0.1665270E+01 Ellipticity -0.2605025E+01 Gb(Abramov) 0.2122446E-01 Vb(Abramov) -0.1997042E-01 Hb(Abramov) 0.1254038E-02 Ex_ueg -0.5470294E-02 Ec_ueg -0.1101186E-02 Delta_ex -0.5408003E-02 Delta_ec 0.1170653E-02 Delta_et -0.1043836E-01 Pxc 0.4967639E+01 Qxc -0.4619648E+01 3,+1 110 3 -1 -3.067852 2.079269 0.771047 Rho 0.1126968E+00 |GRAD(Rho)| 0.2772043E-13 GRAD(Rho)x 0.1847220E-13 GRAD(Rho)y 0.1867482E-13 GRAD(Rho)z 0.8857281E-14 Laplacian 0.4633010E+00 (-1/4)Del**2(Rho)) -0.1158252E+00 Diamond 0.6882963E+00 Metallicity 0.3910832E+01 Ellipticity 0.2355375E-01 Gb(Abramov) 0.1527123E+00 Vb(Abramov) -0.1895994E+00 Hb(Abramov) -0.3688709E-01 Ex_ueg -0.4020380E-01 Ec_ueg -0.6100397E-02 Delta_ex -0.4676717E-01 Delta_ec 0.1317065E-01 Delta_et -0.1682669E+00 Pxc 0.6590357E+01 Qxc -0.3550864E+01 3,-1 111 3 -1 -3.207639 2.202215 -2.324185 Rho 0.2181327E+00 |GRAD(Rho)| 0.3201550E-15 GRAD(Rho)x -0.1527641E-15 GRAD(Rho)y 0.2654398E-15 GRAD(Rho)z 0.9329560E-16 Laplacian 0.8187061E+00 (-1/4)Del**2(Rho)) -0.2046765E+00 Diamond 0.2576145E+01 Metallicity 0.6653033E+01 Ellipticity 0.7705001E-02 Gb(Abramov) 0.3634043E+00 Vb(Abramov) -0.5221321E+00 Hb(Abramov) -0.1587278E+00 Ex_ueg -0.9697937E-01 Ec_ueg -0.1294060E-01 Delta_ex -0.9646184E-01 Delta_ec 0.1854041E-01 Delta_et -0.2554685E+00 Pxc 0.7494193E+01 Qxc -0.5202790E+01 3,-1 112 3 -1 -3.260070 2.228477 2.320369 Rho 0.1943461E+00 |GRAD(Rho)| 0.3472344E-14 GRAD(Rho)x 0.1053302E-15 GRAD(Rho)y 0.3303916E-14 GRAD(Rho)z 0.1063114E-14 Laplacian 0.7475558E+00 (-1/4)Del**2(Rho)) -0.1868890E+00 Diamond 0.2055676E+01 Metallicity 0.6010758E+01 Ellipticity 0.7799265E-02 Gb(Abramov) 0.3118167E+00 Vb(Abramov) -0.4367444E+00 Hb(Abramov) -0.1249277E+00 Ex_ueg -0.8314181E-01 Ec_ueg -0.1134055E-01 Delta_ex -0.8556557E-01 Delta_ec 0.1758564E-01 Delta_et -0.2406804E+00 Pxc 0.7331374E+01 Qxc -0.4865651E+01 3,-1 113 3 -1 -1.744863 1.597171 -0.828686 Rho 0.5160888E-01 |GRAD(Rho)| 0.2882209E-11 GRAD(Rho)x 0.1757234E-11 GRAD(Rho)y 0.2084133E-11 GRAD(Rho)z 0.9357618E-12 Laplacian 0.1939364E+00 (-1/4)Del**2(Rho)) -0.4848409E-01 Diamond 0.9929688E-01 Metallicity 0.2541916E+01 Ellipticity 0.2068515E-01 Gb(Abramov) 0.5286314E-01 Vb(Abramov) -0.5724220E-01 Hb(Abramov) -0.4379054E-02 Ex_ueg -0.1419115E-01 Ec_ueg -0.2503998E-02 Delta_ex -0.1595333E-01 Delta_ec 0.5530767E-02 Delta_et -0.5872697E-01 Pxc 0.5667397E+01 Qxc -0.2884471E+01 3,-1 114 3 +3 -1.117696 0.021328 1.574009 Rho 0.5041567E-02 |GRAD(Rho)| 0.1302881E-15 GRAD(Rho)x -0.1209952E-15 GRAD(Rho)y 0.4773815E-16 GRAD(Rho)z 0.7497758E-17 Laplacian 0.1951760E-01 (-1/4)Del**2(Rho)) -0.4879399E-02 Diamond 0.1363738E-03 Metallicity 0.5233547E+00 Ellipticity -0.3263868E+00 Gb(Abramov) 0.3678542E-02 Vb(Abramov) -0.2477685E-02 Hb(Abramov) 0.1200857E-02 Ex_ueg -0.6384680E-03 Ec_ueg -0.1487020E-03 Delta_ex -0.6745134E-03 Delta_ec 0.8355207E-04 Delta_et -0.6693906E-03 Pxc 0.4293606E+01 Qxc -0.8072971E+01 3,+3 115 3 +1 2.196629 -0.365855 -1.754415 Rho 0.2082069E-01 |GRAD(Rho)| 0.2361369E-16 GRAD(Rho)x 0.1894776E-16 GRAD(Rho)y -0.1196770E-16 GRAD(Rho)z 0.7440648E-17 Laplacian 0.7439793E-01 (-1/4)Del**2(Rho)) -0.1859948E-01 Diamond 0.5929273E-02 Metallicity 0.1459522E+01 Ellipticity -0.1945918E+01 Gb(Abramov) 0.1692405E-01 Vb(Abramov) -0.1524862E-01 Hb(Abramov) 0.1675434E-02 Ex_ueg -0.4230372E-02 Ec_ueg -0.8806866E-03 Delta_ex -0.4180994E-02 Delta_ec 0.8574904E-03 Delta_et -0.7374947E-02 Pxc 0.4803493E+01 Qxc -0.4875849E+01 3,+1 116 3 -1 2.772426 -1.769838 -0.863377 Rho 0.1120591E+00 |GRAD(Rho)| 0.9612627E-16 GRAD(Rho)x 0.6335806E-16 GRAD(Rho)y -0.1758102E-16 GRAD(Rho)z -0.7012078E-16 Laplacian 0.4853627E+00 (-1/4)Del**2(Rho)) -0.1213407E+00 Diamond 0.7222003E+00 Metallicity 0.3697929E+01 Ellipticity 0.3773611E-02 Gb(Abramov) 0.1556787E+00 Vb(Abramov) -0.1900166E+00 Hb(Abramov) -0.3433797E-01 Ex_ueg -0.3990076E-01 Ec_ueg -0.6061167E-02 Delta_ex -0.4901789E-01 Delta_ec 0.1397378E-01 Delta_et -0.1785572E+00 Pxc 0.6583016E+01 Qxc -0.3507848E+01 3,-1 117 3 -1 -2.024256 2.746041 -1.536833 Rho 0.1324828E+00 |GRAD(Rho)| 0.5869345E-13 GRAD(Rho)x -0.4781519E-13 GRAD(Rho)y -0.2348395E-14 GRAD(Rho)z -0.3395753E-13 Laplacian 0.5231284E+00 (-1/4)Del**2(Rho)) -0.1307821E+00 Diamond 0.9062684E+00 Metallicity 0.4535276E+01 Ellipticity 0.2321841E-01 Gb(Abramov) 0.1860436E+00 Vb(Abramov) -0.2413050E+00 Hb(Abramov) -0.5526147E-01 Ex_ueg -0.4988051E-01 Ec_ueg -0.7331774E-02 Delta_ex -0.5442233E-01 Delta_ec 0.1353593E-01 Delta_et -0.1765977E+00 Pxc 0.6803334E+01 Qxc -0.4020582E+01 3,-1 118 3 -1 -2.023089 2.784741 1.540360 Rho 0.1152859E+00 |GRAD(Rho)| 0.1303739E-13 GRAD(Rho)x 0.8240865E-14 GRAD(Rho)y 0.7540355E-14 GRAD(Rho)z -0.6723439E-14 Laplacian 0.4734947E+00 (-1/4)Del**2(Rho)) -0.1183737E+00 Diamond 0.7124635E+00 Metallicity 0.3974278E+01 Ellipticity 0.4565682E-02 Gb(Abramov) 0.1573241E+00 Vb(Abramov) -0.1962745E+00 Hb(Abramov) -0.3895042E-01 Ex_ueg -0.4144001E-01 Ec_ueg -0.6259976E-02 Delta_ex -0.4790306E-01 Delta_ec 0.1312720E-01 Delta_et -0.1680451E+00 Pxc 0.6619835E+01 Qxc -0.3649145E+01 3,-1 119 3 +1 -0.538538 0.810199 -1.532925 Rho 0.9258158E-02 |GRAD(Rho)| 0.1180859E-16 GRAD(Rho)x 0.1067923E-16 GRAD(Rho)y -0.5421758E-18 GRAD(Rho)z -0.5010281E-17 Laplacian 0.3716057E-01 (-1/4)Del**2(Rho)) -0.9290142E-02 Diamond 0.1059855E-02 Metallicity 0.7569581E+00 Ellipticity -0.1404691E+01 Gb(Abramov) 0.7365469E-02 Vb(Abramov) -0.5440797E-02 Hb(Abramov) 0.1924673E-02 Ex_ueg -0.1435769E-02 Ec_ueg -0.3345233E-03 Delta_ex -0.1713479E-02 Delta_ec 0.4938835E-03 Delta_et -0.3463148E-02 Pxc 0.4291985E+01 Qxc -0.3469399E+01 3,+1 120 3 +1 -0.215484 -2.491986 1.143130 Rho 0.2745367E-02 |GRAD(Rho)| 0.9865571E-17 GRAD(Rho)x 0.7637628E-17 GRAD(Rho)y -0.5913361E-17 GRAD(Rho)z 0.2007062E-17 Laplacian 0.1084929E-01 (-1/4)Del**2(Rho)) -0.2712323E-02 Diamond 0.9144626E-04 Metallicity 0.3418844E+00 Ellipticity -0.1335805E+01 Gb(Abramov) 0.1962765E-02 Vb(Abramov) -0.1213208E-02 Hb(Abramov) 0.7495575E-03 Ex_ueg -0.2839133E-03 Ec_ueg -0.5121569E-04 Delta_ex -0.4381883E-03 Delta_ec 0.2615390E-03 Delta_et -0.1218232E-02 Pxc 0.5543482E+01 Qxc -0.1675422E+01 3,+1 121 3 -1 -0.898538 3.559380 -0.749516 Rho 0.1232138E+00 |GRAD(Rho)| 0.5016033E-14 GRAD(Rho)x 0.4493069E-15 GRAD(Rho)y -0.3623647E-14 GRAD(Rho)z 0.3439171E-14 Laplacian 0.4985372E+00 (-1/4)Del**2(Rho)) -0.1246343E+00 Diamond 0.8223248E+00 Metallicity 0.4217108E+01 Ellipticity 0.2468199E-01 Gb(Abramov) 0.1706889E+00 Vb(Abramov) -0.2167435E+00 Hb(Abramov) -0.4605461E-01 Ex_ueg -0.4528256E-01 Ec_ueg -0.6751574E-02 Delta_ex -0.5136323E-01 Delta_ec 0.1383598E-01 Delta_et -0.1796271E+00 Pxc 0.6706964E+01 Qxc -0.3712294E+01 3,-1 122 3 -1 -0.891018 3.589712 0.746278 Rho 0.1334965E+00 |GRAD(Rho)| 0.6337834E-12 GRAD(Rho)x 0.4291650E-12 GRAD(Rho)y 0.1961865E-13 GRAD(Rho)z -0.4659549E-12 Laplacian 0.5388191E+00 (-1/4)Del**2(Rho)) -0.1347048E+00 Diamond 0.9690512E+00 Metallicity 0.4459506E+01 Ellipticity 0.1894315E-01 Gb(Abramov) 0.1899226E+00 Vb(Abramov) -0.2451405E+00 Hb(Abramov) -0.5521786E-01 Ex_ueg -0.5039007E-01 Ec_ueg -0.7395578E-02 Delta_ex -0.5647266E-01 Delta_ec 0.1447747E-01 Delta_et -0.1902076E+00 Pxc 0.6813540E+01 Qxc -0.3900727E+01 3,-1 123 3 -1 0.876612 -0.691029 -3.541654 Rho 0.1560556E+00 |GRAD(Rho)| 0.5533251E-12 GRAD(Rho)x -0.3939197E-12 GRAD(Rho)y 0.3840437E-12 GRAD(Rho)z -0.5921548E-13 Laplacian 0.6209686E+00 (-1/4)Del**2(Rho)) -0.1552421E+00 Diamond 0.1310280E+01 Metallicity 0.5019679E+01 Ellipticity 0.5983081E-01 Gb(Abramov) 0.2333724E+00 Vb(Abramov) -0.3115026E+00 Hb(Abramov) -0.7813024E-01 Ex_ueg -0.6205227E-01 Ec_ueg -0.8832282E-02 Delta_ex -0.6725125E-01 Delta_ec 0.1544222E-01 Delta_et -0.2062870E+00 Pxc 0.7025621E+01 Qxc -0.4355024E+01 3,-1 124 3 +1 1.444632 -0.899169 -2.254389 Rho 0.2479187E-01 |GRAD(Rho)| 0.6048383E-16 GRAD(Rho)x 0.1553451E-16 GRAD(Rho)y -0.3506057E-16 GRAD(Rho)z -0.4677317E-16 Laplacian 0.9208240E-01 (-1/4)Del**2(Rho)) -0.2302060E-01 Diamond 0.9193167E-02 Metallicity 0.1577437E+01 Ellipticity -0.1967632E+01 Gb(Abramov) 0.2139932E-01 Vb(Abramov) -0.1977805E-01 Hb(Abramov) 0.1621277E-02 Ex_ueg -0.5339051E-02 Ec_ueg -0.1078241E-02 Delta_ex -0.5416374E-02 Delta_ec 0.1030727E-02 Delta_et -0.9206299E-02 Pxc 0.4951632E+01 Qxc -0.5254905E+01 3,+1 125 3 -1 1.677951 -0.976880 -1.593835 Rho 0.3756082E-01 |GRAD(Rho)| 0.1883728E-12 GRAD(Rho)x -0.3798031E-13 GRAD(Rho)y 0.1836991E-12 GRAD(Rho)z 0.1721729E-13 Laplacian 0.1481107E+00 (-1/4)Del**2(Rho)) -0.3702769E-01 Diamond 0.5398314E-01 Metallicity 0.1959981E+01 Ellipticity 0.5618412E-02 Gb(Abramov) 0.3678071E-01 Vb(Abramov) -0.3653374E-01 Hb(Abramov) 0.2469712E-03 Ex_ueg -0.9290345E-02 Ec_ueg -0.1739805E-02 Delta_ex -0.1154795E-01 Delta_ec 0.4770455E-02 Delta_et -0.4663535E-01 Pxc 0.5339876E+01 Qxc -0.2420724E+01 3,-1 126 3 +1 1.653813 -0.784672 -0.017395 Rho 0.7949776E-02 |GRAD(Rho)| 0.1106892E-14 GRAD(Rho)x -0.1993684E-15 GRAD(Rho)y 0.1707286E-15 GRAD(Rho)z -0.1075320E-14 Laplacian 0.3195205E-01 (-1/4)Del**2(Rho)) -0.7988012E-02 Diamond 0.7727283E-03 Metallicity 0.6829245E+00 Ellipticity -0.1390569E+01 Gb(Abramov) 0.6234542E-02 Vb(Abramov) -0.4481073E-02 Hb(Abramov) 0.1753469E-02 Ex_ueg -0.1171813E-02 Ec_ueg -0.2759819E-03 Delta_ex -0.1433277E-02 Delta_ec 0.4536249E-03 Delta_et -0.3034970E-02 Pxc 0.4245978E+01 Qxc -0.3159609E+01 3,+1 127 3 -1 0.884098 -0.677923 3.512391 Rho 0.1398683E+00 |GRAD(Rho)| 0.2905383E-15 GRAD(Rho)x 0.1555695E-15 GRAD(Rho)y -0.2389446E-15 GRAD(Rho)z -0.5582244E-16 Laplacian 0.5599375E+00 (-1/4)Del**2(Rho)) -0.1399844E+00 Diamond 0.1040676E+01 Metallicity 0.4638089E+01 Ellipticity 0.6394961E-01 Gb(Abramov) 0.2015329E+00 Vb(Abramov) -0.2630815E+00 Hb(Abramov) -0.6154854E-01 Ex_ueg -0.5362214E-01 Ec_ueg -0.7798128E-02 Delta_ex -0.5908330E-01 Delta_ec 0.1440238E-01 Delta_et -0.1896834E+00 Pxc 0.6876283E+01 Qxc -0.4102329E+01 3,-1 128 3 +3 1.921868 0.008881 2.669197 Rho 0.1209994E-01 |GRAD(Rho)| 0.2391849E-15 GRAD(Rho)x -0.1503131E-15 GRAD(Rho)y -0.7795278E-17 GRAD(Rho)z -0.1858887E-15 Laplacian 0.5498088E-01 (-1/4)Del**2(Rho)) -0.1374522E-01 Diamond 0.1282719E-02 Metallicity 0.7992943E+00 Ellipticity -0.7213257E+00 Gb(Abramov) 0.1099456E-01 Vb(Abramov) -0.8243899E-02 Hb(Abramov) 0.2750661E-02 Ex_ueg -0.2051615E-02 Ec_ueg -0.4641845E-03 Delta_ex -0.2438228E-02 Delta_ec 0.2311530E-03 Delta_et -0.2105922E-02 Pxc 0.4419828E+01 Qxc -0.1054811E+02 3,+3 129 3 -1 2.009137 1.542218 -2.735086 Rho 0.1321843E+00 |GRAD(Rho)| 0.2777926E-15 GRAD(Rho)x 0.2336320E-15 GRAD(Rho)y 0.3259044E-16 GRAD(Rho)z 0.1467061E-15 Laplacian 0.5126644E+00 (-1/4)Del**2(Rho)) -0.1281661E+00 Diamond 0.8998550E+00 Metallicity 0.4610481E+01 Ellipticity 0.3353579E-01 Gb(Abramov) 0.1839286E+00 Vb(Abramov) -0.2396911E+00 Hb(Abramov) -0.5576252E-01 Ex_ueg -0.4973071E-01 Ec_ueg -0.7313000E-02 Delta_ex -0.5347105E-01 Delta_ec 0.1356960E-01 Delta_et -0.1775483E+00 Pxc 0.6800316E+01 Qxc -0.3940505E+01 3,-1 130 3 -1 2.005900 1.532987 2.727337 Rho 0.1373943E+00 |GRAD(Rho)| 0.1195379E-15 GRAD(Rho)x 0.1104260E-15 GRAD(Rho)y 0.4243296E-16 GRAD(Rho)z 0.1717105E-16 Laplacian 0.5365293E+00 (-1/4)Del**2(Rho)) -0.1341323E+00 Diamond 0.9835062E+00 Metallicity 0.4698589E+01 Ellipticity 0.3897113E-01 Gb(Abramov) 0.1944603E+00 Vb(Abramov) -0.2547883E+00 Hb(Abramov) -0.6032801E-01 Ex_ueg -0.5236124E-01 Ec_ueg -0.7641517E-02 Delta_ex -0.5645177E-01 Delta_ec 0.1401004E-01 Delta_et -0.1843226E+00 Pxc 0.6852205E+01 Qxc -0.4029379E+01 3,-1 131 3 +1 1.787956 2.498988 0.004262 Rho 0.1192096E-01 |GRAD(Rho)| 0.3253123E-16 GRAD(Rho)x -0.2874455E-16 GRAD(Rho)y 0.1522534E-16 GRAD(Rho)z 0.4700768E-18 Laplacian 0.5779811E-01 (-1/4)Del**2(Rho)) -0.1444953E-01 Diamond 0.2224380E-02 Metallicity 0.7416824E+00 Ellipticity -0.1253080E+01 Gb(Abramov) 0.1141918E-01 Vb(Abramov) -0.8388829E-02 Hb(Abramov) 0.3030349E-02 Ex_ueg -0.2011252E-02 Ec_ueg -0.4559213E-03 Delta_ex -0.2815472E-02 Delta_ec 0.7134160E-03 Delta_et -0.5369170E-02 Pxc 0.4411402E+01 Qxc -0.3946465E+01 3,+1 132 3 -1 2.765907 -1.740039 0.883833 Rho 0.1605790E+00 |GRAD(Rho)| 0.1523720E-12 GRAD(Rho)x -0.3070227E-13 GRAD(Rho)y -0.3994021E-13 GRAD(Rho)z 0.1438032E-12 Laplacian 0.6529049E+00 (-1/4)Del**2(Rho)) -0.1632262E+00 Diamond 0.1439124E+01 Metallicity 0.5007001E+01 Ellipticity 0.1039599E-01 Gb(Abramov) 0.2450298E+00 Vb(Abramov) -0.3268334E+00 Hb(Abramov) -0.8180359E-01 Ex_ueg -0.6446193E-01 Ec_ueg -0.9124125E-02 Delta_ex -0.7133447E-01 Delta_ec 0.1633611E-01 Delta_et -0.2195786E+00 Pxc 0.7064999E+01 Qxc -0.4366673E+01 3,-1 133 3 -1 3.003607 -0.830904 -2.023809 Rho 0.6394896E-01 |GRAD(Rho)| 0.6572401E-13 GRAD(Rho)x -0.1937185E-13 GRAD(Rho)y 0.6218492E-13 GRAD(Rho)z 0.8798484E-14 Laplacian 0.2703926E+00 (-1/4)Del**2(Rho)) -0.6759816E-01 Diamond 0.2014237E+00 Metallicity 0.2606198E+01 Ellipticity 0.3086959E-02 Gb(Abramov) 0.7442781E-01 Vb(Abramov) -0.8125746E-01 Hb(Abramov) -0.6829648E-02 Ex_ueg -0.1888700E-01 Ec_ueg -0.3199311E-02 Delta_ex -0.2399969E-01 Delta_ec 0.8590214E-02 Delta_et -0.9675329E-01 Pxc 0.5903460E+01 Qxc -0.2793841E+01 3,-1 134 3 -1 2.974409 -0.826894 1.997039 Rho 0.8300264E-01 |GRAD(Rho)| 0.9557801E-16 GRAD(Rho)x -0.1556677E-16 GRAD(Rho)y -0.8858948E-16 GRAD(Rho)z 0.3232235E-16 Laplacian 0.3326279E+00 (-1/4)Del**2(Rho)) -0.8315697E-01 Diamond 0.3276576E+00 Metallicity 0.3271958E+01 Ellipticity 0.1185576E-01 Gb(Abramov) 0.1007857E+00 Vb(Abramov) -0.1184144E+00 Hb(Abramov) -0.1762869E-01 Ex_ueg -0.2674079E-01 Ec_ueg -0.4307490E-02 Delta_ex -0.3099839E-01 Delta_ec 0.9550128E-02 Delta_et -0.1140015E+00 Pxc 0.6207976E+01 Qxc -0.3245861E+01 3,-1 135 3 -1 3.016566 0.837197 2.010780 Rho 0.1722539E+00 |GRAD(Rho)| 0.1059137E-12 GRAD(Rho)x 0.7582136E-13 GRAD(Rho)y -0.5780787E-13 GRAD(Rho)z -0.4612029E-13 Laplacian 0.6802663E+00 (-1/4)Del**2(Rho)) -0.1700666E+00 Diamond 0.1615830E+01 Metallicity 0.5401932E+01 Ellipticity 0.4879138E-01 Gb(Abramov) 0.2664924E+00 Vb(Abramov) -0.3629183E+00 Hb(Abramov) -0.9642583E-01 Ex_ueg -0.7078540E-01 Ec_ueg -0.9882989E-02 Delta_ex -0.7550609E-01 Delta_ec 0.1648887E-01 Delta_et -0.2228876E+00 Pxc 0.7162347E+01 Qxc -0.4579216E+01 3,-1 136 3 -1 3.216320 2.326273 2.229830 Rho 0.2236345E+00 |GRAD(Rho)| 0.5397366E-13 GRAD(Rho)x -0.3632061E-13 GRAD(Rho)y -0.3466276E-13 GRAD(Rho)z -0.1981068E-13 Laplacian 0.8213079E+00 (-1/4)Del**2(Rho)) -0.2053270E+00 Diamond 0.2677540E+01 Metallicity 0.6913082E+01 Ellipticity 0.8404286E-02 Gb(Abramov) 0.3734584E+00 Vb(Abramov) -0.5415897E+00 Hb(Abramov) -0.1681314E+00 Ex_ueg -0.1002544E+00 Ec_ueg -0.1331515E-01 Delta_ex -0.9747964E-01 Delta_ec 0.1861982E-01 Delta_et -0.2575273E+00 Pxc 0.7529346E+01 Qxc -0.5235263E+01 3,-1 137 3 -1 2.830190 1.707795 0.876536 Rho 0.1389382E+00 |GRAD(Rho)| 0.1736480E-15 GRAD(Rho)x 0.4805726E-16 GRAD(Rho)y 0.2999132E-16 GRAD(Rho)z -0.1641482E-15 Laplacian 0.5784493E+00 (-1/4)Del**2(Rho)) -0.1446123E+00 Diamond 0.1071424E+01 Metallicity 0.4440010E+01 Ellipticity 0.1762956E-01 Gb(Abramov) 0.2034216E+00 Vb(Abramov) -0.2622308E+00 Hb(Abramov) -0.5880925E-01 Ex_ueg -0.5314722E-01 Ec_ueg -0.7739204E-02 Delta_ex -0.6099184E-01 Delta_ec 0.1499976E-01 Delta_et -0.1975533E+00 Pxc 0.6867273E+01 Qxc -0.4066189E+01 3,-1 138 3 -1 3.332394 -2.289273 -2.267562 Rho 0.1885333E+00 |GRAD(Rho)| 0.1678392E-13 GRAD(Rho)x 0.1284059E-13 GRAD(Rho)y 0.1001692E-13 GRAD(Rho)z -0.4059660E-14 Laplacian 0.7088186E+00 (-1/4)Del**2(Rho)) -0.1772046E+00 Diamond 0.1898044E+01 Metallicity 0.6026402E+01 Ellipticity 0.2541672E-01 Gb(Abramov) 0.2961208E+00 Vb(Abramov) -0.4150370E+00 Hb(Abramov) -0.1189162E+00 Ex_ueg -0.7984280E-01 Ec_ueg -0.1095435E-01 Delta_ex -0.8064568E-01 Delta_ec 0.1705705E-01 Delta_et -0.2335985E+00 Pxc 0.7288685E+01 Qxc -0.4727997E+01 3,-1 139 3 -1 -1.796553 1.581476 -2.325552 Rho 0.1285506E+00 |GRAD(Rho)| 0.2531811E-13 GRAD(Rho)x 0.6892273E-15 GRAD(Rho)y 0.2250104E-13 GRAD(Rho)z 0.1158597E-13 Laplacian 0.5296596E+00 (-1/4)Del**2(Rho)) -0.1324149E+00 Diamond 0.9003659E+00 Metallicity 0.4259971E+01 Ellipticity 0.9884333E-02 Gb(Abramov) 0.1822905E+00 Vb(Abramov) -0.2321662E+00 Hb(Abramov) -0.4987563E-01 Ex_ueg -0.4791638E-01 Ec_ueg -0.7084935E-02 Delta_ex -0.5489039E-01 Delta_ec 0.1414112E-01 Delta_et -0.1842325E+00 Pxc 0.6763135E+01 Qxc -0.3881615E+01 3,-1 140 3 -1 -1.745878 1.601947 0.831041 Rho 0.4664515E-01 |GRAD(Rho)| 0.9533902E-16 GRAD(Rho)x -0.7357243E-16 GRAD(Rho)y 0.2754615E-16 GRAD(Rho)z 0.5401699E-16 Laplacian 0.1887769E+00 (-1/4)Del**2(Rho)) -0.4719423E-01 Diamond 0.9105245E-01 Metallicity 0.2206353E+01 Ellipticity 0.2518961E-01 Gb(Abramov) 0.4881735E-01 Vb(Abramov) -0.5044047E-01 Hb(Abramov) -0.1623115E-02 Ex_ueg -0.1240111E-01 Ec_ueg -0.2230287E-02 Delta_ex -0.1545811E-01 Delta_ec 0.5963545E-02 Delta_et -0.6182453E-01 Pxc 0.5560319E+01 Qxc -0.2592101E+01 3,-1 141 3 -1 -1.805862 1.594332 2.391682 Rho 0.1083412E+00 |GRAD(Rho)| 0.8431793E-13 GRAD(Rho)x -0.6296137E-13 GRAD(Rho)y 0.2210534E-13 GRAD(Rho)z -0.5154350E-13 Laplacian 0.4662060E+00 (-1/4)Del**2(Rho)) -0.1165515E+00 Diamond 0.6687395E+00 Metallicity 0.3639358E+01 Ellipticity 0.1134800E-01 Gb(Abramov) 0.1483965E+00 Vb(Abramov) -0.1802414E+00 Hb(Abramov) -0.3184495E-01 Ex_ueg -0.3814550E-01 Ec_ueg -0.5833046E-02 Delta_ex -0.4675611E-01 Delta_ec 0.1359619E-01 Delta_et -0.1726856E+00 Pxc 0.6539552E+01 Qxc -0.3438912E+01 3,-1 142 3 -1 3.210485 2.356581 -2.229367 Rho 0.2219265E+00 |GRAD(Rho)| 0.9054402E-15 GRAD(Rho)x -0.5276812E-15 GRAD(Rho)y -0.5231818E-15 GRAD(Rho)z 0.5173542E-15 Laplacian 0.8160297E+00 (-1/4)Del**2(Rho)) -0.2040074E+00 Diamond 0.2635045E+01 Metallicity 0.6869458E+01 Ellipticity 0.1197826E-01 Gb(Abramov) 0.3695750E+00 Vb(Abramov) -0.5351426E+00 Hb(Abramov) -0.1655676E+00 Ex_ueg -0.9923479E-01 Ec_ueg -0.1319870E-01 Delta_ex -0.9665615E-01 Delta_ec 0.1853159E-01 Delta_et -0.2561616E+00 Pxc 0.7518528E+01 Qxc -0.5215750E+01 3,-1 143 3 -1 -2.109095 -2.914356 -1.643851 Rho 0.2238514E+00 |GRAD(Rho)| 0.1026080E-12 GRAD(Rho)x 0.8078298E-13 GRAD(Rho)y -0.3094074E-13 GRAD(Rho)z 0.5518315E-13 Laplacian 0.8694818E+00 (-1/4)Del**2(Rho)) -0.2173705E+00 Diamond 0.2795947E+01 Metallicity 0.6540619E+01 Ellipticity 0.9427141E-02 Gb(Abramov) 0.3818699E+00 Vb(Abramov) -0.5463693E+00 Hb(Abramov) -0.1644994E+00 Ex_ueg -0.1003840E+00 Ec_ueg -0.1332995E-01 Delta_ex -0.1029782E+00 Delta_ec 0.1926899E-01 Delta_et -0.2647625E+00 Pxc 0.7530714E+01 Qxc -0.5344244E+01 3,-1 144 3 -1 -2.132792 -2.849130 1.666308 Rho 0.2156182E+00 |GRAD(Rho)| 0.1816782E-14 GRAD(Rho)x -0.1110060E-14 GRAD(Rho)y 0.1437218E-14 GRAD(Rho)z 0.5352909E-16 Laplacian 0.8657157E+00 (-1/4)Del**2(Rho)) -0.2164289E+00 Diamond 0.2640754E+01 Metallicity 0.6171350E+01 Ellipticity 0.1245673E-01 Gb(Abramov) 0.3668957E+00 Vb(Abramov) -0.5173625E+00 Hb(Abramov) -0.1504668E+00 Ex_ueg -0.9549169E-01 Ec_ueg -0.1276998E-01 Delta_ex -0.1014157E+00 Delta_ec 0.1916977E-01 Delta_et -0.2620325E+00 Pxc 0.7477829E+01 Qxc -0.5290398E+01 3,-1 145 3 -1 -0.553275 -0.687118 3.207715 Rho 0.1518036E+00 |GRAD(Rho)| 0.3198448E-15 GRAD(Rho)x 0.4613280E-16 GRAD(Rho)y 0.3146626E-15 GRAD(Rho)z 0.3405750E-16 Laplacian 0.6369509E+00 (-1/4)Del**2(Rho)) -0.1592377E+00 Diamond 0.1305511E+01 Metallicity 0.4673517E+01 Ellipticity 0.2710114E-01 Gb(Abramov) 0.2301919E+00 Vb(Abramov) -0.3011460E+00 Hb(Abramov) -0.7095414E-01 Ex_ueg -0.5980824E-01 Ec_ueg -0.8559069E-02 Delta_ex -0.6856539E-01 Delta_ec 0.1604407E-01 Delta_et -0.2137695E+00 Pxc 0.6987705E+01 Qxc -0.4273565E+01 3,-1 146 3 -1 -0.041342 -0.005646 4.477969 Rho 0.2223170E+00 |GRAD(Rho)| 0.2619591E-13 GRAD(Rho)x -0.1813748E-13 GRAD(Rho)y 0.1438202E-13 GRAD(Rho)z 0.1226439E-13 Laplacian 0.8407161E+00 (-1/4)Del**2(Rho)) -0.2101790E+00 Diamond 0.2704798E+01 Metallicity 0.6687312E+01 Ellipticity 0.4772864E-02 Gb(Abramov) 0.3743748E+00 Vb(Abramov) -0.5385706E+00 Hb(Abramov) -0.1641958E+00 Ex_ueg -0.9946767E-01 Ec_ueg -0.1322531E-01 Delta_ex -0.9953287E-01 Delta_ec 0.1891730E-01 Delta_et -0.2608605E+00 Pxc 0.7521009E+01 Qxc -0.5261473E+01 3,-1 147 3 -1 -0.072365 0.029320 -4.449498 Rho 0.2215247E+00 |GRAD(Rho)| 0.6839024E-15 GRAD(Rho)x 0.3750526E-15 GRAD(Rho)y -0.4416599E-16 GRAD(Rho)z 0.5701819E-15 Laplacian 0.8457149E+00 (-1/4)Del**2(Rho)) -0.2114287E+00 Diamond 0.2703653E+01 Metallicity 0.6608347E+01 Ellipticity 0.5678710E-02 Gb(Abramov) 0.3738182E+00 Vb(Abramov) -0.5362077E+00 Hb(Abramov) -0.1623895E+00 Ex_ueg -0.9899531E-01 Ec_ueg -0.1317133E-01 Delta_ex -0.9999916E-01 Delta_ec 0.1899038E-01 Delta_et -0.2615834E+00 Pxc 0.7515971E+01 Qxc -0.5265779E+01 3,-1 148 3 -1 0.321588 -0.051054 -0.571496 Rho 0.1345732E+00 |GRAD(Rho)| 0.1060726E-11 GRAD(Rho)x -0.5833787E-12 GRAD(Rho)y 0.2303164E-13 GRAD(Rho)z 0.8855955E-12 Laplacian 0.6829391E+00 (-1/4)Del**2(Rho)) -0.1707348E+00 Diamond 0.1452130E+01 Metallicity 0.3565844E+01 Ellipticity 0.3031361E-02 Gb(Abramov) 0.2152921E+00 Vb(Abramov) -0.2598495E+00 Hb(Abramov) -0.4455734E-01 Ex_ueg -0.5093270E-01 Ec_ueg -0.7463418E-02 Delta_ex -0.7415634E-01 Delta_ec 0.2267169E-01 Delta_et -0.3065709E+00 Pxc 0.6824312E+01 Qxc -0.3270878E+01 3,-1 149 3 -1 0.314599 -0.053732 0.541961 Rho 0.1331056E+00 |GRAD(Rho)| 0.8856474E-15 GRAD(Rho)x 0.6015278E-15 GRAD(Rho)y 0.1717568E-15 GRAD(Rho)z 0.6269252E-15 Laplacian 0.6677260E+00 (-1/4)Del**2(Rho)) -0.1669315E+00 Diamond 0.1401274E+01 Metallicity 0.3581035E+01 Ellipticity 0.5398027E-02 Gb(Abramov) 0.2109189E+00 Vb(Abramov) -0.2549064E+00 Hb(Abramov) -0.4398743E-01 Ex_ueg -0.5019341E-01 Ec_ueg -0.7370965E-02 Delta_ex -0.7232407E-01 Delta_ec 0.2222110E-01 Delta_et -0.2998137E+00 Pxc 0.6809612E+01 Qxc -0.3254748E+01 3,-1 150 3 -1 -0.531131 0.708789 -3.180016 Rho 0.1445319E+00 |GRAD(Rho)| 0.7546991E-12 GRAD(Rho)x 0.4923958E-12 GRAD(Rho)y -0.4780599E-12 GRAD(Rho)z -0.3139678E-12 Laplacian 0.6112083E+00 (-1/4)Del**2(Rho)) -0.1528021E+00 Diamond 0.1178315E+01 Metallicity 0.4487766E+01 Ellipticity 0.2221186E-01 Gb(Abramov) 0.2161580E+00 Vb(Abramov) -0.2795140E+00 Hb(Abramov) -0.6335595E-01 Ex_ueg -0.5601917E-01 Ec_ueg -0.8094401E-02 Delta_ex -0.6497745E-01 Delta_ec 0.1553361E-01 Delta_et -0.2054375E+00 Pxc 0.6920731E+01 Qxc -0.4183023E+01 3,-1 151 3 -1 -0.546580 0.716824 3.244317 Rho 0.1615577E+00 |GRAD(Rho)| 0.3173480E-15 GRAD(Rho)x 0.2313416E-15 GRAD(Rho)y -0.3146897E-16 GRAD(Rho)z 0.2149431E-15 Laplacian 0.6731401E+00 (-1/4)Del**2(Rho)) -0.1682850E+00 Diamond 0.1479044E+01 Metallicity 0.4905919E+01 Ellipticity 0.1556176E-01 Gb(Abramov) 0.2497888E+00 Vb(Abramov) -0.3312926E+00 Hb(Abramov) -0.8150378E-01 Ex_ueg -0.6498631E-01 Ec_ueg -0.9187431E-02 Delta_ex -0.7351591E-01 Delta_ec 0.1656600E-01 Delta_et -0.2222001E+00 Pxc 0.7073393E+01 Qxc -0.4437757E+01 3,-1 152 3 -1 1.826670 2.346531 -1.580035 Rho 0.1507232E+00 |GRAD(Rho)| 0.4145334E-15 GRAD(Rho)x 0.1666690E-15 GRAD(Rho)y 0.3718407E-15 GRAD(Rho)z 0.7611777E-16 Laplacian 0.6355566E+00 (-1/4)Del**2(Rho)) -0.1588891E+00 Diamond 0.1284109E+01 Metallicity 0.4628344E+01 Ellipticity 0.9210532E-02 Gb(Abramov) 0.2284917E+00 Vb(Abramov) -0.2980943E+00 Hb(Abramov) -0.6960256E-01 Ex_ueg -0.5924137E-01 Ec_ueg -0.8489823E-02 Delta_ex -0.6822162E-01 Delta_ec 0.1590643E-01 Delta_et -0.2114231E+00 Pxc 0.6977927E+01 Qxc -0.4288934E+01 3,-1 153 3 -1 1.830182 2.358331 1.581983 Rho 0.1524178E+00 |GRAD(Rho)| 0.1108080E-14 GRAD(Rho)x 0.5840055E-15 GRAD(Rho)y 0.8556524E-15 GRAD(Rho)z 0.3932401E-15 Laplacian 0.6382185E+00 (-1/4)Del**2(Rho)) -0.1595546E+00 Diamond 0.1306795E+01 Metallicity 0.4695729E+01 Ellipticity 0.9044344E-02 Gb(Abramov) 0.2312406E+00 Vb(Abramov) -0.3029266E+00 Hb(Abramov) -0.7168601E-01 Ex_ueg -0.6013110E-01 Ec_ueg -0.8598464E-02 Delta_ex -0.6869542E-01 Delta_ec 0.1592620E-01 Delta_et -0.2119984E+00 Pxc 0.6993237E+01 Qxc -0.4313360E+01 3,-1 154 3 -1 1.984513 -1.579105 -2.780435 Rho 0.1051348E+00 |GRAD(Rho)| 0.2750663E-15 GRAD(Rho)x -0.2620313E-15 GRAD(Rho)y 0.8086793E-16 GRAD(Rho)z 0.2148076E-16 Laplacian 0.4318396E+00 (-1/4)Del**2(Rho)) -0.1079599E+00 Diamond 0.5948130E+00 Metallicity 0.3737100E+01 Ellipticity 0.1713426E-01 Gb(Abramov) 0.1392161E+00 Vb(Abramov) -0.1704723E+00 Hb(Abramov) -0.3125619E-01 Ex_ueg -0.3664772E-01 Ec_ueg -0.5637134E-02 Delta_ex -0.4296788E-01 Delta_ec 0.1260263E-01 Delta_et -0.1590124E+00 Pxc 0.6501125E+01 Qxc -0.3409437E+01 3,-1 155 3 -1 1.995736 -1.538003 2.726554 Rho 0.1260569E+00 |GRAD(Rho)| 0.1187805E-13 GRAD(Rho)x -0.1021313E-13 GRAD(Rho)y 0.5946862E-14 GRAD(Rho)z 0.1189478E-14 Laplacian 0.4863856E+00 (-1/4)Del**2(Rho)) -0.1215964E+00 Diamond 0.8105368E+00 Metallicity 0.4489973E+01 Ellipticity 0.2546998E-01 Gb(Abramov) 0.1720584E+00 Vb(Abramov) -0.2225203E+00 Hb(Abramov) -0.5046196E-01 Ex_ueg -0.4668107E-01 Ec_ueg -0.6928929E-02 Delta_ex -0.5020696E-01 Delta_ec 0.1311254E-01 Delta_et -0.1703866E+00 Pxc 0.6737126E+01 Qxc -0.3828927E+01 3,-1 156 3 -1 0.873644 0.741787 -3.497748 Rho 0.1379403E+00 |GRAD(Rho)| 0.3222904E-15 GRAD(Rho)x -0.1375310E-15 GRAD(Rho)y -0.2863107E-15 GRAD(Rho)z 0.5461245E-16 Laplacian 0.5406252E+00 (-1/4)Del**2(Rho)) -0.1351563E+00 Diamond 0.9923407E+00 Metallicity 0.4693920E+01 Ellipticity 0.5322586E-01 Gb(Abramov) 0.1958397E+00 Vb(Abramov) -0.2565230E+00 Hb(Abramov) -0.6068338E-01 Ex_ueg -0.5263889E-01 Ec_ueg -0.7676049E-02 Delta_ex -0.5689954E-01 Delta_ec 0.1403571E-01 Delta_et -0.1846367E+00 Pxc 0.6857550E+01 Qxc -0.4053914E+01 3,-1 157 3 -1 2.836294 1.710693 -0.876432 Rho 0.1361683E+00 |GRAD(Rho)| 0.2888275E-13 GRAD(Rho)x -0.4792377E-14 GRAD(Rho)y 0.1162431E-14 GRAD(Rho)z -0.2845865E-13 Laplacian 0.5625770E+00 (-1/4)Del**2(Rho)) -0.1406443E+00 Diamond 0.1020922E+01 Metallicity 0.4414599E+01 Ellipticity 0.1577168E-01 Gb(Abramov) 0.1972442E+00 Vb(Abramov) -0.2538441E+00 Hb(Abramov) -0.5659992E-01 Ex_ueg -0.5173921E-01 Ec_ueg -0.7564055E-02 Delta_ex -0.5907204E-01 Delta_ec 0.1473645E-01 Delta_et -0.1936373E+00 Pxc 0.6840142E+01 Qxc -0.4008568E+01 3,-1 158 3 -1 -2.997385 -2.101179 -0.761237 Rho 0.1365786E+00 |GRAD(Rho)| 0.6485421E-15 GRAD(Rho)x -0.1012509E-15 GRAD(Rho)y -0.2420837E-15 GRAD(Rho)z 0.5930857E-15 Laplacian 0.5222280E+00 (-1/4)Del**2(Rho)) -0.1305570E+00 Diamond 0.9605655E+00 Metallicity 0.4779590E+01 Ellipticity 0.5860817E-01 Gb(Abramov) 0.1910395E+00 Vb(Abramov) -0.2515220E+00 Hb(Abramov) -0.6048249E-01 Ex_ueg -0.5194716E-01 Ec_ueg -0.7589967E-02 Delta_ex -0.5498176E-01 Delta_ec 0.1385973E-01 Delta_et -0.1825818E+00 Pxc 0.6844189E+01 Qxc -0.3967015E+01 3,-1 159 3 -1 0.059973 4.556829 -0.021112 Rho 0.1943524E+00 |GRAD(Rho)| 0.7204277E-14 GRAD(Rho)x -0.1616573E-14 GRAD(Rho)y -0.7016306E-14 GRAD(Rho)z 0.2444419E-15 Laplacian 0.7503334E+00 (-1/4)Del**2(Rho)) -0.1875834E+00 Diamond 0.2063431E+01 Metallicity 0.5988830E+01 Ellipticity 0.3229783E-02 Gb(Abramov) 0.3122897E+00 Vb(Abramov) -0.4369960E+00 Hb(Abramov) -0.1247063E+00 Ex_ueg -0.8314539E-01 Ec_ueg -0.1134097E-01 Delta_ex -0.8588446E-01 Delta_ec 0.1765129E-01 Delta_et -0.2415811E+00 Pxc 0.7331419E+01 Qxc -0.4865621E+01 3,-1 160 3 -1 -2.790964 0.907879 -1.637251 Rho 0.1846827E+00 |GRAD(Rho)| 0.6686785E-11 GRAD(Rho)x -0.1453056E-11 GRAD(Rho)y -0.6517812E-11 GRAD(Rho)z 0.3461821E-12 Laplacian 0.7609168E+00 (-1/4)Del**2(Rho)) -0.1902292E+00 Diamond 0.1950174E+01 Metallicity 0.5424001E+01 Ellipticity 0.2315329E-01 Gb(Abramov) 0.2987867E+00 Vb(Abramov) -0.4073442E+00 Hb(Abramov) -0.1085575E+00 Ex_ueg -0.7767598E-01 Ec_ueg -0.1069957E-01 Delta_ex -0.8584012E-01 Delta_ec 0.1790612E-01 Delta_et -0.2431698E+00 Pxc 0.7259728E+01 Qxc -0.4793898E+01 3,-1 161 3 -1 -2.799062 0.886282 1.659078 Rho 0.1473327E+00 |GRAD(Rho)| 0.1378728E-11 GRAD(Rho)x -0.2964613E-12 GRAD(Rho)y -0.1344916E-11 GRAD(Rho)z -0.6482352E-13 Laplacian 0.6226676E+00 (-1/4)Del**2(Rho)) -0.1556669E+00 Diamond 0.1252554E+01 Metallicity 0.4548369E+01 Ellipticity 0.1571987E-01 Gb(Abramov) 0.2217830E+00 Vb(Abramov) -0.2878991E+00 Hb(Abramov) -0.6611612E-01 Ex_ueg -0.5747127E-01 Ec_ueg -0.8272990E-02 Delta_ex -0.6675448E-01 Delta_ec 0.1618985E-01 Delta_et -0.2156970E+00 Pxc 0.6946855E+01 Qxc -0.4123229E+01 3,-1 162 3 -1 0.862916 0.735212 3.499202 Rho 0.1321695E+00 |GRAD(Rho)| 0.3883482E-13 GRAD(Rho)x -0.1706076E-13 GRAD(Rho)y 0.3230346E-13 GRAD(Rho)z 0.1317422E-13 Laplacian 0.5190006E+00 (-1/4)Del**2(Rho)) -0.1297502E+00 Diamond 0.9052360E+00 Metallicity 0.4553345E+01 Ellipticity 0.4453716E-01 Gb(Abramov) 0.1849663E+00 Vb(Abramov) -0.2401824E+00 Hb(Abramov) -0.5521614E-01 Ex_ueg -0.4972330E-01 Ec_ueg -0.7312070E-02 Delta_ex -0.5406421E-01 Delta_ec 0.1361939E-01 Delta_et -0.1779731E+00 Pxc 0.6800166E+01 Qxc -0.3969651E+01 3,-1 163 3 -1 3.257791 -2.283181 2.236264 Rho 0.2155093E+00 |GRAD(Rho)| 0.3224582E-15 GRAD(Rho)x -0.2682316E-15 GRAD(Rho)y -0.1776736E-15 GRAD(Rho)z -0.2152141E-16 Laplacian 0.7953436E+00 (-1/4)Del**2(Rho)) -0.1988359E+00 Diamond 0.2483930E+01 Metallicity 0.6711741E+01 Ellipticity 0.1686696E-01 Gb(Abramov) 0.3549798E+00 Vb(Abramov) -0.5111237E+00 Hb(Abramov) -0.1561439E+00 Ex_ueg -0.9542742E-01 Ec_ueg -0.1276260E-01 Delta_ex -0.9352411E-01 Delta_ec 0.1826471E-01 Delta_et -0.2522282E+00 Pxc 0.7477116E+01 Qxc -0.5120482E+01 3,-1 164 3 -1 -0.518513 -0.570076 -0.024305 Rho 0.1389228E+00 |GRAD(Rho)| 0.5240351E-15 GRAD(Rho)x 0.2297275E-15 GRAD(Rho)y 0.4709361E-15 GRAD(Rho)z 0.7568482E-17 Laplacian 0.7281560E+00 (-1/4)Del**2(Rho)) -0.1820390E+00 Diamond 0.1610954E+01 Metallicity 0.3526506E+01 Ellipticity 0.3341173E-01 Gb(Abramov) 0.2283529E+00 Vb(Abramov) -0.2746669E+00 Hb(Abramov) -0.4631394E-01 Ex_ueg -0.5313938E-01 Ec_ueg -0.7738230E-02 Delta_ex -0.7967045E-01 Delta_ec 0.2405208E-01 Delta_et -0.3273902E+00 Pxc 0.6867123E+01 Qxc -0.3312414E+01 3,-1 165 3 -1 -0.453088 0.542049 -0.014521 Rho 0.1336076E+00 |GRAD(Rho)| 0.4342135E-14 GRAD(Rho)x 0.3917081E-14 GRAD(Rho)y -0.1839961E-14 GRAD(Rho)z 0.3537682E-15 Laplacian 0.6810228E+00 (-1/4)Del**2(Rho)) -0.1702557E+00 Diamond 0.1433157E+01 Metallicity 0.3533215E+01 Ellipticity 0.5419095E-02 Gb(Abramov) 0.2137621E+00 Vb(Abramov) -0.2572686E+00 Hb(Abramov) -0.4350643E-01 Ex_ueg -0.5044598E-01 Ec_ueg -0.7402573E-02 Delta_ex -0.7379861E-01 Delta_ec 0.2259320E-01 Delta_et -0.3049880E+00 Pxc 0.6814655E+01 Qxc -0.3266408E+01 3,-1 166 3 -1 -0.533640 -0.686121 -3.173330 Rho 0.1432260E+00 |GRAD(Rho)| 0.1177550E-12 GRAD(Rho)x 0.3847790E-13 GRAD(Rho)y 0.1010882E-12 GRAD(Rho)z -0.4654946E-13 Laplacian 0.6012086E+00 (-1/4)Del**2(Rho)) -0.1503021E+00 Diamond 0.1154487E+01 Metallicity 0.4493913E+01 Ellipticity 0.1806360E-01 Gb(Abramov) 0.2127756E+00 Vb(Abramov) -0.2752490E+00 Hb(Abramov) -0.6247341E-01 Ex_ueg -0.5534534E-01 Ec_ueg -0.8011303E-02 Delta_ex -0.6385745E-01 Delta_ec 0.1546533E-01 Delta_et -0.2045960E+00 Pxc 0.6908407E+01 Qxc -0.4129073E+01 3,-1 167 3 -1 0.517167 -0.028541 -2.388666 Rho 0.6127977E-01 |GRAD(Rho)| 0.7028344E-13 GRAD(Rho)x -0.2989779E-13 GRAD(Rho)y -0.4608680E-13 GRAD(Rho)z 0.4383938E-13 Laplacian 0.2328641E+00 (-1/4)Del**2(Rho)) -0.5821603E-01 Diamond 0.1519605E+00 Metallicity 0.2818637E+01 Ellipticity 0.1223743E-01 Gb(Abramov) 0.6615899E-01 Vb(Abramov) -0.7410196E-01 Hb(Abramov) -0.7942964E-02 Ex_ueg -0.1784327E-01 Ec_ueg -0.3047260E-02 Delta_ex -0.2006131E-01 Delta_ec 0.6711058E-02 Delta_et -0.7445652E-01 Pxc 0.5855513E+01 Qxc -0.2989291E+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 94 151 145 162 127 146 149 164 148 165 167 166 150 123 156 147 83 86 85 122 121 159 96 132 100 134 155 163 72 157 152 104 129 142 113 160 139 108 117 111 53 57 68 107 144 105 66 55 67 158 143 106 140 161 141 110 118 112 91 137 153 135 130 136 125 116 98 133 154 138 97 81 99 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 25 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 36 27 37 2.335396 1.887476 1.908601 1.974843 1.952557 1.771918 1.672777 1.651845 1.667832 1.669433 2.299092 1.931130 1.929055 1.909343 1.957934 1.773109 2.378106 2.016834 2.012981 1.968833 1.999378 1.823528 2.443680 1.889445 1.760744 2.164218 1.995783 1.784763 2.508493 1.951958 1.915131 1.846242 1.975125 1.773117 2.371706 1.836420 1.976487 1.927091 1.976875 1.779476 2.312685 2.048771 1.989812 1.964082 1.782796 1.786435 2.202932 2.181757 1.958280 1.963672 1.768640 1.788747 2.403360 1.921364 2.036072 2.031074 2.026592 1.823694 2.512745 1.943723 1.910610 1.871785 1.959492 1.770137 2.490742 2.019867 1.808141 2.262338 2.057521 1.836483 3.325958 3.190185 3.208262 2.336101 1.887782 1.909026 1.975291 1.953048 1.771924 1.672792 1.651943 1.667863 1.669442 2.299806 1.931531 1.929499 1.909720 1.958374 1.773116 2.378991 2.017089 2.013241 1.969031 1.999619 1.823536 2.444315 1.889725 1.760789 2.164578 1.996268 1.784785 2.509038 1.952333 1.915538 1.846583 1.975548 1.773120 2.372231 1.836799 1.976763 1.927471 1.977319 1.779488 2.313550 2.049019 1.990192 1.964525 1.782867 1.786450 2.203951 2.182042 1.958689 1.964113 1.768652 1.788783 2.404123 1.921593 2.036208 2.031282 2.026831 1.823703 2.513307 1.944131 1.911018 1.872208 1.959933 1.770141 2.491877 2.020161 1.808175 2.262585 2.057744 1.836494 3.326594 3.193107 3.208950 32 23 23 23 25 21 21 23 21 21 27 25 23 23 23 21 32 26 26 23 23 23 31 24 24 25 23 23 30 23 25 23 26 22 27 22 23 25 25 23 27 24 25 24 22 22 25 26 25 23 22 22 27 23 26 25 25 24 29 23 25 23 25 22 29 25 23 26 25 22 35 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 Si W Ta W W W W W Ta W 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 2.3901 2.3522 2.3913 2.1539 2.2924 2.3514 2.3540 2.3159 2.3528 2.1099 2.3585 1.9874 -1.1477 -1.1108 -1.1517 -1.1573 -1.0061 -1.0124 -0.9386 -0.9879 -0.9467 -0.9899 -0.9881 -0.9802 -0.9740 -0.9829 -0.9902 -0.8204 -0.9946 -1.0314 -0.9721 -1.0296 -1.0095 -1.0192 -1.0606 -0.8625 -0.8724 -1.0402 -1.0232 -1.0101 -0.8915 -1.0263 -0.8909 -1.0043 -0.9285 -0.9036 -0.9144 -0.9209 -0.9197 -1.0035 -0.8956 2.1201 2.3417 2.1228 2.1216 2.1529 2.1286 2.1286 2.1538 2.1474 2.1341 2.1241 2.1647 1.8998 1.8997 1.8996 1.8944 1.9254 1.9274 1.9372 1.9264 1.9364 1.9262 1.9271 1.9280 1.9278 1.9274 1.9264 1.9575 1.9360 1.9333 1.9393 1.9312 1.9321 1.9323 1.9253 1.9460 1.9434 1.9291 1.9322 1.9323 1.9491 1.9277 1.9484 1.9301 1.9437 1.9476 1.9451 1.9413 1.9420 1.9307 1.9487 6.1107 6.7303 6.1086 6.0833 6.1247 6.1162 6.1096 6.1149 6.0972 6.0955 6.1164 6.1077 5.2212 5.1842 5.2256 5.2361 5.0564 5.0576 4.9718 5.0327 4.9847 5.0373 5.0321 5.0244 5.0175 5.0265 5.0377 4.8298 5.0308 5.0670 5.0052 5.0702 5.0476 5.0587 5.1109 4.8863 4.9004 5.0849 5.0619 5.0477 4.9124 5.0769 4.9126 5.0514 4.9565 4.9260 4.9404 4.9514 4.9498 5.0500 4.9166 3.3485 0.5758 3.3466 2.6054 3.4008 3.3736 3.3774 3.3854 3.3729 2.6249 3.3708 2.7072 0.0267 0.0269 0.0265 0.0268 0.0243 0.0274 0.0296 0.0288 0.0256 0.0264 0.0289 0.0277 0.0286 0.0290 0.0262 0.0331 0.0278 0.0310 0.0276 0.0283 0.0298 0.0283 0.0244 0.0303 0.0286 0.0262 0.0291 0.0301 0.0301 0.0217 0.0299 0.0228 0.0284 0.0299 0.0289 0.0282 0.0279 0.0228 0.0304 14.0305 0.0000 14.0307 14.0358 14.0292 14.0302 14.0304 14.0299 14.0297 14.0356 14.0301 14.0329 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 Si W Ta W W W W W Ta W 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 2.506660 1.779007 2.510816 2.362539 2.464337 2.487343 2.486984 2.499636 2.505851 2.351943 2.491170 2.310537 -1.056781 -1.019266 -1.059388 -1.070777 -1.053670 -1.032844 -0.984702 -1.010844 -1.047872 -1.030864 -0.997850 -1.018089 -1.003849 -0.998443 -1.031918 -0.898366 -1.023745 -1.021104 -1.024821 -1.054537 -1.021098 -1.038714 -1.100493 -0.927658 -0.942702 -1.068580 -1.028480 -1.021202 -0.950272 -1.149112 -0.950367 -1.118351 -0.997923 -0.966818 -0.983302 -0.992650 -0.984639 -1.118445 -0.956287 1.928091 1.411445 1.930150 1.825459 1.938533 1.916668 1.913289 1.941837 1.959496 1.822435 1.918652 1.848987 -0.694109 -0.695638 -0.699130 -0.702003 -0.797245 -0.771909 -0.754586 -0.755115 -0.980028 -0.781801 -0.724355 -0.783121 -0.741832 -0.734588 -0.775310 -0.797113 -0.877299 -0.853911 -0.884669 -0.905006 -0.855097 -0.881501 -0.954347 -0.849479 -0.867820 -0.913254 -0.854550 -0.856594 -0.888289 -1.125747 -0.887825 -1.083871 -0.946471 -0.903841 -0.920761 -0.943940 -0.939958 -1.080467 -0.892461 2.037229 1.347866 2.038136 1.943461 2.039656 2.034311 2.030707 2.056233 2.067473 1.948844 2.037899 1.951144 -0.781793 -0.764157 -0.784233 -0.784020 -0.889800 -0.872568 -0.822304 -0.854760 -0.994188 -0.866440 -0.821423 -0.852408 -0.820072 -0.827938 -0.861111 -0.801227 -0.898510 -0.896282 -0.895655 -0.942494 -0.886418 -0.922331 -0.993858 -0.831645 -0.852005 -0.956981 -0.904451 -0.888787 -0.847598 -1.106553 -0.847978 -1.054618 -0.916088 -0.867893 -0.879938 -0.922073 -0.917902 -1.050313 -0.854145 0.14673797 -3.74933631 1.03368660 3.89198700 -29.49891121 29.97512407 29.20027364 4.88931682 -17.57639527 24.60959439 -362.7349 406.2866 62.2444 -433.9585 -144.6499 -472.8122 Apr24-2024 12:52:21 Nodes: 1 Procs: 1 Apr24-2024 12:52:22 Nodes: 1 Procs: 1 0 Apr24-2024 12:52:22 Nodes: 1 Procs: 1 Apr24-2024 12:52:23 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Apr24-2024 12:52:25 Nodes: 1 Procs: 1 Apr24-2024 12:52:25 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr24-2024 12:52:26 Nodes: 1 Procs: 1 Apr24-2024 12:52:27 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr24-2024 12:52:29 Nodes: 1 Procs: 24 *** (NO TITLE) *** -11 -16.89371414 -17.22360616 -17.26663479 -17.19019788 -17.28933852 -17.34519919 -17.35848041 -17.36269842 -17.36848083 -17.37087356 -17.37280558 -17.37335782 -17.37374084 -17.37502439 -17.37518705 -17.37551273 -17.37552169 -17.37549873 -17.37550696 -17.37551454 -17.37553059 GEOMETRY CONVERGED