ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 11:22:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.35 0.03 0.40 1 2 3 1 1.000 0.000 0.000 0.000 -6.493 2.471 41.409 11.031 S S S P S S P S 1 2 1 3 1.00 0.00 0.00 0.00 -6.4931 2.4706 11.0309 41.4090 1 H -0.0000 1.0000 0.0000 0.0000 0.0000 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 11:22:24 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.04 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 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 0 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 Mar06-2024 11:22:25 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 11:22:25 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.44 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 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 0 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 Mar06-2024 11:22:25 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar06-2024 11:22:25 Nodes: 1 Procs: 1 Mar06-2024 11:22:26 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 11:22:26 Hydrogen (TZP) 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) 1.34 0.03 1.42 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 4.000 0.000 0.000 14.000 0.000 0.000 -78.652 -5.688 1.231 15.256 90.545 82874.614 -43.195 -0.500 20.662 126.921 -4.498 4.055 33.318 -33.668 62.370 473.510 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -78.6522 -43.1946 -33.6680 -5.6882 -4.4976 -0.5002 1.2309 4.0549 15.2562 20.6620 33.3183 62.3697 90.5446 126.9207 473.5096 82874.6143 1 W -0.0000 4.0000 6.0000 4.0000 14.0000 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 0 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 Mar06-2024 11:22:25 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar06-2024 11:22:25 Nodes: 1 Procs: 1 Mar06-2024 11:22:26 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar06-2024 11:22:26 Nodes: 1 Procs: 1 Mar06-2024 11:22:27 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Mar06-2024 11:22:29 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2674.302100000006 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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 -5.954 -5.905 -5.887 -5.858 -5.821 -5.789 -5.709 -5.570 -5.561 -5.529 -2.509 -2.458 -2.287 -2.060 -1.985 -1.956 -1.917 -1.830 -1.697 -1.675 A A A A A A A A A A A A A A A A A A A A 0.00000000071498 0.00051858499188 0.00034428316655 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 74 74 74 74 74 74 74 74 74 74 74 14 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 1 0.104217 -2.537170 2.540141 0.125861 2.491607 -2.489352 -0.098230 2.538929 2.481269 2.387072 -2.604300 0.010678 2.591409 2.495708 -0.153017 -2.560815 2.457921 0.088078 -2.552490 -2.480346 -0.131647 -2.430030 -0.290314 -2.653363 -2.508557 0.144269 2.575098 2.527182 -0.156138 2.519124 2.431619 -0.024414 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0.230285 -3.752640 3.714128 -0.200496 -3.814177 -3.633257 0.242699 -3.800377 0.331271 -3.576364 -3.723278 -0.200043 3.783774 3.706851 0.201996 3.759139 -0.546887 -3.394940 -1.301702 1 3 -3 0.104217 -2.537170 2.540141 Rho 0.4361414E+07 3,-3 2 3 -3 0.125861 2.491607 -2.489352 Rho 0.4361414E+07 3,-3 3 3 -3 -0.098230 2.538929 2.481269 Rho 0.4361414E+07 3,-3 4 3 -3 2.387072 -2.604300 0.010678 Rho 0.4361415E+07 3,-3 5 3 -3 2.591409 2.495708 -0.153017 Rho 0.4361415E+07 3,-3 6 3 -3 -2.560815 2.457921 0.088078 Rho 0.4361414E+07 3,-3 7 3 -3 -2.552490 -2.480346 -0.131647 Rho 0.4361414E+07 3,-3 8 3 -3 -2.430030 -0.290314 -2.653363 Rho 0.4361414E+07 3,-3 9 3 -3 -2.508557 0.144269 2.575098 Rho 0.4361414E+07 3,-3 10 3 -3 2.527182 -0.156138 2.519124 Rho 0.4361415E+07 3,-3 11 3 -3 2.431619 -0.024414 -2.619116 Rho 0.4361415E+07 3,-3 12 3 -3 -0.070279 -0.042032 -0.039118 Rho 0.1943313E+04 3,-3 13 3 -3 0.888177 -1.014627 0.904844 Rho 0.3186746E+03 3,-3 14 3 -3 -1.113185 -0.925197 -0.943902 Rho 0.3186387E+03 3,-3 15 3 -3 0.924047 0.883889 -0.994713 Rho 0.3186787E+03 3,-3 16 3 -3 -0.951989 0.951813 0.964349 Rho 0.3186668E+03 3,-3 17 3 -3 -3.004028 -1.120688 1.175983 Rho 0.3188741E+03 3,-3 18 3 -3 2.953654 -1.161372 -1.135465 Rho 0.3188178E+03 3,-3 19 3 -3 -3.025997 1.149598 -1.079842 Rho 0.3190357E+03 3,-3 20 3 -3 3.002873 1.165183 1.182453 Rho 0.3188444E+03 3,-3 21 3 -3 1.299770 -1.158521 -3.318502 Rho 0.3193307E+03 3,-3 22 3 -3 1.102490 1.116528 2.978212 Rho 0.3188747E+03 3,-3 23 3 -3 -1.123107 1.120212 -2.982285 Rho 0.3188308E+03 3,-3 24 3 -3 -1.153760 -1.128376 3.050923 Rho 0.3188725E+03 3,-3 25 3 -3 -1.131116 3.002874 -1.106662 Rho 0.3188602E+03 3,-3 26 3 -3 -1.178597 -2.979926 1.213461 Rho 0.3188775E+03 3,-3 27 3 -3 1.138042 3.001911 1.135778 Rho 0.3188875E+03 3,-3 28 3 -3 1.154896 -3.252906 -1.088163 Rho 0.3192051E+03 3,-3 29 3 -3 3.374633 -1.501200 1.552269 Rho 0.3190077E+03 3,-3 30 3 -3 -3.464104 -1.592290 -1.558849 Rho 0.3189342E+03 3,-3 31 3 -3 3.452370 1.552083 -1.470618 Rho 0.3190467E+03 3,-3 32 3 -3 -3.442257 1.524246 1.581751 Rho 0.3189386E+03 3,-3 33 3 -3 1.469262 -1.492716 3.464310 Rho 0.3189337E+03 3,-3 34 3 -3 1.544093 1.562887 -3.411045 Rho 0.3189282E+03 3,-3 35 3 -3 -1.516750 1.524307 3.462187 Rho 0.3189499E+03 3,-3 36 3 -3 -1.775185 -1.472850 -3.771440 Rho 0.3192696E+03 3,-3 37 3 -3 -1.525848 -3.627583 -1.304192 Rho 0.3187176E+03 3,-3 38 3 -3 -1.524675 3.411202 1.547938 Rho 0.3189581E+03 3,-3 39 3 -3 1.509982 -3.438386 1.602598 Rho 0.3189375E+03 3,-3 40 3 -3 1.504299 3.429987 -1.473937 Rho 0.3189315E+03 3,-3 41 3 -3 -0.237513 -3.725729 3.775556 Rho 0.3192778E+03 3,-3 42 3 -3 3.832107 -0.160665 -3.678714 Rho 0.3192184E+03 3,-3 43 3 -3 -0.217082 3.715865 -3.689698 Rho 0.3192802E+03 3,-3 44 3 -3 0.244686 3.731250 3.718376 Rho 0.3192574E+03 3,-3 45 3 -3 3.727348 -3.727411 -0.174759 Rho 0.3192317E+03 3,-3 46 3 -3 3.754451 3.744503 0.230285 Rho 0.3192654E+03 3,-3 47 3 -3 -3.752640 3.714128 -0.200496 Rho 0.3192448E+03 3,-3 48 3 -3 -3.814177 -3.633257 0.242699 Rho 0.3192812E+03 3,-3 49 3 -3 -3.800377 0.331271 -3.576364 Rho 0.3192156E+03 3,-3 50 3 -3 -3.723278 -0.200043 3.783774 Rho 0.3192772E+03 3,-3 51 3 -3 3.706851 0.201996 3.759139 Rho 0.3192676E+03 3,-3 52 3 -3 -0.546887 -3.394940 -1.301702 Rho 0.4297186E+00 3,-3 53 3 -1 -1.783285 -0.535433 2.811378 Rho 0.1477609E+00 |GRAD(Rho)| 0.8078444E-12 GRAD(Rho)x -0.5880124E-12 GRAD(Rho)y 0.5360826E-12 GRAD(Rho)z -0.1395328E-12 Laplacian 0.6231301E+00 (-1/4)Del**2(Rho)) -0.1557825E+00 Diamond 0.1241192E+01 Metallicity 0.4567027E+01 Ellipticity 0.1664436E-01 Gb(Abramov) 0.2224322E+00 Vb(Abramov) -0.2890818E+00 Hb(Abramov) -0.6664966E-01 Ex_ueg -0.5769405E-01 Ec_ueg -0.8300333E-02 Delta_ex -0.6668202E-01 Delta_ec 0.1588791E-01 Delta_et -0.2110953E+00 Pxc 0.6950812E+01 Qxc -0.4197029E+01 3,-1 54 3 -1 -3.233810 -3.102469 0.068556 Rho 0.2355245E+00 |GRAD(Rho)| 0.1535699E-13 GRAD(Rho)x 0.9003215E-15 GRAD(Rho)y 0.1312833E-13 GRAD(Rho)z 0.7916655E-14 Laplacian 0.9030325E+00 (-1/4)Del**2(Rho)) -0.2257581E+00 Diamond 0.3092429E+01 Metallicity 0.6854408E+01 Ellipticity 0.1447258E-02 Gb(Abramov) 0.4084118E+00 Vb(Abramov) -0.5910655E+00 Hb(Abramov) -0.1826537E+00 Ex_ueg -0.1074236E+00 Ec_ueg -0.1413028E-01 Delta_ex -0.1084075E+00 Delta_ec 0.1976952E-01 Delta_et -0.2724020E+00 Pxc 0.7602369E+01 Qxc -0.5483569E+01 3,-1 55 3 -1 -2.076075 -0.929001 -3.256055 Rho 0.2327043E+00 |GRAD(Rho)| 0.3626738E-15 GRAD(Rho)x 0.1308090E-15 GRAD(Rho)y -0.2125578E-15 GRAD(Rho)z -0.2631359E-15 Laplacian 0.8940783E+00 (-1/4)Del**2(Rho)) -0.2235196E+00 Diamond 0.3010841E+01 Metallicity 0.6785443E+01 Ellipticity 0.1488825E-01 Gb(Abramov) 0.4017930E+00 Vb(Abramov) -0.5800663E+00 Hb(Abramov) -0.1782734E+00 Ex_ueg -0.1057120E+00 Ec_ueg -0.1393624E-01 Delta_ex -0.1069576E+00 Delta_ec 0.1957534E-01 Delta_et -0.2693226E+00 Pxc 0.7585402E+01 Qxc -0.5463892E+01 3,-1 56 3 +1 -2.264388 -1.213067 -1.299673 Rho 0.3323251E-01 |GRAD(Rho)| 0.2220309E-14 GRAD(Rho)x -0.1413491E-14 GRAD(Rho)y 0.5942348E-16 GRAD(Rho)z -0.1711224E-14 Laplacian 0.1350656E+00 (-1/4)Del**2(Rho)) -0.3376640E-01 Diamond 0.2503980E-01 Metallicity 0.1752563E+01 Ellipticity -0.4089439E+01 Gb(Abramov) 0.3237389E-01 Vb(Abramov) -0.3098139E-01 Hb(Abramov) 0.1392507E-02 Ex_ueg -0.7891072E-02 Ec_ueg -0.1511518E-02 Delta_ex -0.8987565E-02 Delta_ec 0.2144656E-02 Delta_et -0.2025981E-01 Pxc 0.5220628E+01 Qxc -0.4190680E+01 3,+1 57 3 +1 -1.718885 -0.461589 0.565153 Rho 0.9795874E-02 |GRAD(Rho)| 0.2092802E-16 GRAD(Rho)x 0.1864905E-16 GRAD(Rho)y -0.6367868E-17 GRAD(Rho)z 0.7045928E-17 Laplacian 0.3981989E-01 (-1/4)Del**2(Rho)) -0.9954974E-02 Diamond 0.1221615E-02 Metallicity 0.7761012E+00 Ellipticity -0.1409130E+01 Gb(Abramov) 0.7924327E-02 Vb(Abramov) -0.5893680E-02 Hb(Abramov) 0.2030647E-02 Ex_ueg -0.1548018E-02 Ec_ueg -0.3587995E-03 Delta_ex -0.1861081E-02 Delta_ec 0.5257510E-03 Delta_et -0.3742140E-02 Pxc 0.4314437E+01 Qxc -0.3539852E+01 3,+1 58 3 +1 0.504344 0.440911 1.654198 Rho 0.8704569E-02 |GRAD(Rho)| 0.6096886E-17 GRAD(Rho)x 0.2913899E-19 GRAD(Rho)y 0.2043012E-18 GRAD(Rho)z 0.6093392E-17 Laplacian 0.3504986E-01 (-1/4)Del**2(Rho)) -0.8762465E-02 Diamond 0.9315163E-03 Metallicity 0.7241675E+00 Ellipticity -0.1392534E+01 Gb(Abramov) 0.6899225E-02 Vb(Abramov) -0.5035986E-02 Hb(Abramov) 0.1863240E-02 Ex_ueg -0.1322457E-02 Ec_ueg -0.3096613E-03 Delta_ex -0.1596350E-02 Delta_ec 0.4757596E-03 Delta_et -0.3276036E-02 Pxc 0.4270656E+01 Qxc -0.3355371E+01 3,+1 59 3 +3 -2.374125 0.051795 0.082696 Rho 0.5396388E-02 |GRAD(Rho)| 0.2306099E-16 GRAD(Rho)x 0.1521248E-16 GRAD(Rho)y -0.6220266E-17 GRAD(Rho)z -0.1617709E-16 Laplacian 0.2274991E-01 (-1/4)Del**2(Rho)) -0.5687478E-02 Diamond 0.2499916E-03 Metallicity 0.5028889E+00 Ellipticity -0.2623104E+00 Gb(Abramov) 0.4268347E-02 Vb(Abramov) -0.2849216E-02 Hb(Abramov) 0.1419131E-02 Ex_ueg -0.6990731E-03 Ec_ueg -0.1640107E-03 Delta_ex -0.8645987E-03 Delta_ec 0.2104396E-03 Delta_et -0.1372007E-02 Pxc 0.4262364E+01 Qxc -0.4108537E+01 3,+3 60 3 -1 -0.040280 0.008172 2.947524 Rho 0.6302384E-02 |GRAD(Rho)| 0.4664118E-14 GRAD(Rho)x 0.3175745E-14 GRAD(Rho)y -0.3118877E-14 GRAD(Rho)z 0.1393286E-14 Laplacian 0.2550318E-01 (-1/4)Del**2(Rho)) -0.6375795E-02 Diamond 0.9403915E-03 Metallicity 0.5810234E+00 Ellipticity 0.1920148E+01 Gb(Abramov) 0.4867944E-02 Vb(Abramov) -0.3360094E-02 Hb(Abramov) 0.1507851E-02 Ex_ueg -0.8597883E-03 Ec_ueg -0.2033832E-03 Delta_ex -0.1414477E-02 Delta_ec 0.9593580E-03 Delta_et -0.5523161E-02 Pxc 0.4227431E+01 Qxc -0.1474399E+01 3,-1 61 3 +1 -2.791546 -0.230585 -0.223438 Rho 0.5832575E-02 |GRAD(Rho)| 0.6650016E-17 GRAD(Rho)x 0.2360582E-17 GRAD(Rho)y 0.3916058E-17 GRAD(Rho)z -0.4828546E-17 Laplacian 0.2417634E-01 (-1/4)Del**2(Rho)) -0.6044085E-02 Diamond 0.4925435E-03 Metallicity 0.5386705E+00 Ellipticity -0.1304782E+01 Gb(Abramov) 0.4572018E-02 Vb(Abramov) -0.3099951E-02 Hb(Abramov) 0.1472067E-02 Ex_ueg -0.7754113E-03 Ec_ueg -0.1829160E-03 Delta_ex -0.1086700E-02 Delta_ec 0.4899008E-03 Delta_et -0.2893841E-02 Pxc 0.4239167E+01 Qxc -0.2218205E+01 3,+1 62 3 -1 -2.730504 0.463511 -1.821833 Rho 0.7102583E-01 |GRAD(Rho)| 0.2595205E-15 GRAD(Rho)x 0.5094395E-16 GRAD(Rho)y -0.1743414E-15 GRAD(Rho)z -0.1853664E-15 Laplacian 0.2961316E+00 (-1/4)Del**2(Rho)) -0.7403290E-01 Diamond 0.2430865E+00 Metallicity 0.2834581E+01 Ellipticity 0.6032277E-02 Gb(Abramov) 0.8433065E-01 Vb(Abramov) -0.9462839E-01 Hb(Abramov) -0.1029774E-01 Ex_ueg -0.2172402E-01 Ec_ueg -0.3606443E-02 Delta_ex -0.2668890E-01 Delta_ec 0.8855524E-02 Delta_et -0.1020977E+00 Pxc 0.6023668E+01 Qxc -0.3013814E+01 3,-1 63 3 -1 -2.755478 -0.527791 1.827087 Rho 0.1370083E+00 |GRAD(Rho)| 0.8389129E-13 GRAD(Rho)x 0.2416911E-13 GRAD(Rho)y -0.8024060E-13 GRAD(Rho)z 0.3879316E-14 Laplacian 0.5728679E+00 (-1/4)Del**2(Rho)) -0.1432170E+00 Diamond 0.1043731E+01 Metallicity 0.4379959E+01 Ellipticity 0.1074833E-01 Gb(Abramov) 0.2000254E+00 Vb(Abramov) -0.2568338E+00 Hb(Abramov) -0.5680842E-01 Ex_ueg -0.5216519E-01 Ec_ueg -0.7617117E-02 Delta_ex -0.6020212E-01 Delta_ec 0.1491203E-01 Delta_et -0.1959894E+00 Pxc 0.6848417E+01 Qxc -0.4037152E+01 3,-1 64 3 +3 0.001351 -0.053323 2.263645 Rho 0.4999102E-02 |GRAD(Rho)| 0.1715226E-15 GRAD(Rho)x -0.7760118E-16 GRAD(Rho)y 0.1046870E-15 GRAD(Rho)z -0.1115289E-15 Laplacian 0.2078376E-01 (-1/4)Del**2(Rho)) -0.5195939E-02 Diamond 0.1827405E-03 Metallicity 0.4845915E+00 Ellipticity -0.2909361E+00 Gb(Abramov) 0.3883611E-02 Vb(Abramov) -0.2571282E-02 Hb(Abramov) 0.1312328E-02 Ex_ueg -0.6313077E-03 Ec_ueg -0.1468742E-03 Delta_ex -0.7529846E-03 Delta_ec 0.1539653E-03 Delta_et -0.1038472E-02 Pxc 0.4298290E+01 Qxc -0.4890611E+01 3,+3 65 3 -1 1.608335 -1.775600 0.454370 Rho 0.5281952E-01 |GRAD(Rho)| 0.1408565E-15 GRAD(Rho)x -0.1119892E-15 GRAD(Rho)y 0.6585724E-16 GRAD(Rho)z 0.5442229E-16 Laplacian 0.1990077E+00 (-1/4)Del**2(Rho)) -0.4975193E-01 Diamond 0.1068219E+00 Metallicity 0.2574744E+01 Ellipticity 0.1134104E-01 Gb(Abramov) 0.5451770E-01 Vb(Abramov) -0.5928347E-01 Hb(Abramov) -0.4765768E-02 Ex_ueg -0.1463674E-01 Ec_ueg -0.2571309E-02 Delta_ex -0.1653413E-01 Delta_ec 0.5793315E-02 Delta_et -0.6192219E-01 Pxc 0.5692329E+01 Qxc -0.2854001E+01 3,-1 66 3 +1 0.028571 -3.044256 0.103847 Rho 0.5528716E-02 |GRAD(Rho)| 0.4049922E-17 GRAD(Rho)x 0.8402567E-18 GRAD(Rho)y -0.8199279E-18 GRAD(Rho)z -0.3876023E-17 Laplacian 0.2232492E-01 (-1/4)Del**2(Rho)) -0.5581229E-02 Diamond 0.6088791E-03 Metallicity 0.5335770E+00 Ellipticity -0.4267000E+01 Gb(Abramov) 0.4217155E-02 Vb(Abramov) -0.2853082E-02 Hb(Abramov) 0.1364074E-02 Ex_ueg -0.7220225E-03 Ec_ueg -0.1697361E-03 Delta_ex -0.1142360E-02 Delta_ec 0.7217154E-03 Delta_et -0.4032040E-02 Pxc 0.4253795E+01 Qxc -0.1582840E+01 3,+1 67 3 -1 -1.819566 -2.729571 0.580660 Rho 0.1246725E+00 |GRAD(Rho)| 0.2311479E-15 GRAD(Rho)x -0.1897760E-15 GRAD(Rho)y 0.2339166E-16 GRAD(Rho)z -0.1298739E-15 Laplacian 0.5218991E+00 (-1/4)Del**2(Rho)) -0.1304748E+00 Diamond 0.8547701E+00 Metallicity 0.4108133E+01 Ellipticity 0.1839760E-01 Gb(Abramov) 0.1763178E+00 Vb(Abramov) -0.2221608E+00 Hb(Abramov) -0.4584302E-01 Ex_ueg -0.4599875E-01 Ec_ueg -0.6842498E-02 Delta_ex -0.5368651E-01 Delta_ec 0.1402723E-01 Delta_et -0.1817915E+00 Pxc 0.6722507E+01 Qxc -0.3827306E+01 3,-1 68 3 -1 1.313615 -2.141143 -2.140370 Rho 0.7053322E-02 |GRAD(Rho)| 0.6265651E-11 GRAD(Rho)x 0.2407813E-11 GRAD(Rho)y 0.5428258E-11 GRAD(Rho)z -0.1998708E-11 Laplacian 0.2876325E-01 (-1/4)Del**2(Rho)) -0.7190812E-02 Diamond 0.1368394E-02 Metallicity 0.6214861E+00 Ellipticity 0.7543805E+00 Gb(Abramov) 0.5538707E-02 Vb(Abramov) -0.3886601E-02 Hb(Abramov) 0.1652106E-02 Ex_ueg -0.9990258E-03 Ec_ueg -0.2363184E-03 Delta_ex -0.1708472E-02 Delta_ec 0.1222828E-02 Delta_et -0.7239901E-02 Pxc 0.4227457E+01 Qxc -0.1397149E+01 3,-1 69 3 +1 -1.760149 -1.714552 1.789752 Rho 0.1242792E-01 |GRAD(Rho)| 0.4996910E-14 GRAD(Rho)x 0.3189315E-14 GRAD(Rho)y 0.4099824E-15 GRAD(Rho)z 0.3824826E-14 Laplacian 0.6234001E-01 (-1/4)Del**2(Rho)) -0.1558500E-01 Diamond 0.2585651E-02 Metallicity 0.7370731E+00 Ellipticity -0.1247788E+01 Gb(Abramov) 0.1230455E-01 Vb(Abramov) -0.9024097E-02 Hb(Abramov) 0.3280453E-02 Ex_ueg -0.2126097E-02 Ec_ueg -0.4793593E-03 Delta_ex -0.3083037E-02 Delta_ec 0.7917800E-03 Delta_et -0.6001154E-02 Pxc 0.4435290E+01 Qxc -0.3893805E+01 3,+1 70 3 +1 -0.622449 -1.666543 0.496639 Rho 0.9154101E-02 |GRAD(Rho)| 0.1678984E-16 GRAD(Rho)x -0.5702914E-17 GRAD(Rho)y 0.1411496E-16 GRAD(Rho)z -0.7081195E-17 Laplacian 0.3638577E-01 (-1/4)Del**2(Rho)) -0.9096443E-02 Diamond 0.1016595E-02 Metallicity 0.7586493E+00 Ellipticity -0.1405951E+01 Gb(Abramov) 0.7214464E-02 Vb(Abramov) -0.5332484E-02 Hb(Abramov) 0.1881979E-02 Ex_ueg -0.1414293E-02 Ec_ueg -0.3298398E-03 Delta_ex -0.1670699E-02 Delta_ec 0.4796854E-03 Delta_et -0.3357313E-02 Pxc 0.4287818E+01 Qxc -0.3482906E+01 3,+1 71 3 +3 -1.113954 -1.081395 1.143772 Rho 0.5219447E-02 |GRAD(Rho)| 0.9417628E-17 GRAD(Rho)x 0.7493661E-17 GRAD(Rho)y -0.1193734E-17 GRAD(Rho)z 0.5577791E-17 Laplacian 0.2075313E-01 (-1/4)Del**2(Rho)) -0.5188282E-02 Diamond 0.1512616E-03 Metallicity 0.5214792E+00 Ellipticity -0.1407996E+00 Gb(Abramov) 0.3909785E-02 Vb(Abramov) -0.2631288E-02 Hb(Abramov) 0.1278497E-02 Ex_ueg -0.6686790E-03 Ec_ueg -0.1563687E-03 Delta_ex -0.7234702E-03 Delta_ec 0.8758080E-04 Delta_et -0.7094743E-03 Pxc 0.4276298E+01 Qxc -0.8260603E+01 3,+3 72 3 +1 0.237046 -1.920626 -0.726345 Rho 0.5733742E-02 |GRAD(Rho)| 0.1492830E-14 GRAD(Rho)x 0.4174992E-15 GRAD(Rho)y 0.7694617E-15 GRAD(Rho)z 0.1209201E-14 Laplacian 0.2221737E-01 (-1/4)Del**2(Rho)) -0.5554343E-02 Diamond 0.5388544E-03 Metallicity 0.5697059E+00 Ellipticity -0.2241388E+01 Gb(Abramov) 0.4230286E-02 Vb(Abramov) -0.2906228E-02 Hb(Abramov) 0.1324057E-02 Ex_ueg -0.7579419E-03 Ec_ueg -0.1786241E-03 Delta_ex -0.1069508E-02 Delta_ec 0.5835589E-03 Delta_et -0.3348159E-02 Pxc 0.4243223E+01 Qxc -0.1832734E+01 3,+1 73 3 +3 -0.119344 -2.348655 -0.175004 Rho 0.4158992E-02 |GRAD(Rho)| 0.5312997E-17 GRAD(Rho)x -0.3882799E-17 GRAD(Rho)y -0.9486769E-19 GRAD(Rho)z 0.3625301E-17 Laplacian 0.1700601E-01 (-1/4)Del**2(Rho)) -0.4251502E-02 Diamond 0.1162704E-03 Metallicity 0.4358371E+00 Ellipticity -0.2387725E+00 Gb(Abramov) 0.3143162E-02 Vb(Abramov) -0.2034821E-02 Hb(Abramov) 0.1108340E-02 Ex_ueg -0.4939722E-03 Ec_ueg -0.1109023E-03 Delta_ex -0.5868672E-03 Delta_ec 0.1256689E-03 Delta_et -0.8140758E-03 Pxc 0.4454121E+01 Qxc -0.4669949E+01 3,+3 74 3 +1 -0.539013 -0.533886 1.683491 Rho 0.8592648E-02 |GRAD(Rho)| 0.1503845E-16 GRAD(Rho)x 0.8610522E-17 GRAD(Rho)y -0.1223411E-16 GRAD(Rho)z 0.1529798E-17 Laplacian 0.3433518E-01 (-1/4)Del**2(Rho)) -0.8583796E-02 Diamond 0.8868067E-03 Metallicity 0.7234672E+00 Ellipticity -0.1384053E+01 Gb(Abramov) 0.6757546E-02 Vb(Abramov) -0.4931297E-02 Hb(Abramov) 0.1826249E-02 Ex_ueg -0.1299834E-02 Ec_ueg -0.3046512E-03 Delta_ex -0.1554252E-02 Delta_ec 0.4582037E-03 Delta_et -0.3151388E-02 Pxc 0.4266629E+01 Qxc -0.3392055E+01 3,+1 75 3 -1 -0.562895 -1.783894 2.797024 Rho 0.1345042E+00 |GRAD(Rho)| 0.6939441E-14 GRAD(Rho)x 0.4397998E-14 GRAD(Rho)y -0.5272638E-14 GRAD(Rho)z -0.1006350E-14 Laplacian 0.5637380E+00 (-1/4)Del**2(Rho)) -0.1409345E+00 Diamond 0.1008309E+01 Metallicity 0.4316143E+01 Ellipticity 0.8566992E-02 Gb(Abramov) 0.1953386E+00 Vb(Abramov) -0.2497427E+00 Hb(Abramov) -0.5440408E-01 Ex_ueg -0.5089788E-01 Ec_ueg -0.7459069E-02 Delta_ex -0.5902132E-01 Delta_ec 0.1481638E-01 Delta_et -0.1943214E+00 Pxc 0.6823624E+01 Qxc -0.3983518E+01 3,-1 76 3 -1 -0.233222 -1.287689 -3.509428 Rho 0.5838043E-02 |GRAD(Rho)| 0.3215326E-16 GRAD(Rho)x -0.3205749E-16 GRAD(Rho)y -0.1351600E-17 GRAD(Rho)z -0.2079042E-17 Laplacian 0.2316527E-01 (-1/4)Del**2(Rho)) -0.5791317E-02 Diamond 0.9996545E-03 Metallicity 0.5630599E+00 Ellipticity 0.1618176E+00 Gb(Abramov) 0.4404354E-02 Vb(Abramov) -0.3017392E-02 Hb(Abramov) 0.1386963E-02 Ex_ueg -0.7763807E-03 Ec_ueg -0.1831536E-03 Delta_ex -0.1439566E-02 Delta_ec 0.1180173E-02 Delta_et -0.6535600E-02 Pxc 0.4238960E+01 Qxc -0.1219793E+01 3,-1 77 3 +1 -0.273879 -0.936464 -2.602352 Rho 0.3419878E-02 |GRAD(Rho)| 0.2033043E-14 GRAD(Rho)x -0.1902322E-14 GRAD(Rho)y 0.6378902E-15 GRAD(Rho)z -0.3279176E-15 Laplacian 0.1353604E-01 (-1/4)Del**2(Rho)) -0.3384009E-02 Diamond 0.1402541E-03 Metallicity 0.3951900E+00 Ellipticity -0.1303790E+01 Gb(Abramov) 0.2478894E-02 Vb(Abramov) -0.1573778E-02 Hb(Abramov) 0.9051152E-03 Ex_ueg -0.3805390E-03 Ec_ueg -0.7956061E-04 Delta_ex -0.5508181E-03 Delta_ec 0.2906248E-03 Delta_et -0.1463754E-02 Pxc 0.4783008E+01 Qxc -0.1895289E+01 3,+1 78 3 +1 1.662482 0.486153 0.514674 Rho 0.7603144E-02 |GRAD(Rho)| 0.8482749E-17 GRAD(Rho)x 0.5458944E-17 GRAD(Rho)y 0.2253693E-18 GRAD(Rho)z 0.6488927E-17 Laplacian 0.2982590E-01 (-1/4)Del**2(Rho)) -0.7456476E-02 Diamond 0.6778665E-03 Metallicity 0.6792166E+00 Ellipticity -0.1397299E+01 Gb(Abramov) 0.5815077E-02 Vb(Abramov) -0.4173679E-02 Hb(Abramov) 0.1641398E-02 Ex_ueg -0.1104187E-02 Ec_ueg -0.2606012E-03 Delta_ex -0.1322529E-02 Delta_ec 0.4225059E-03 Delta_et -0.2795047E-02 Pxc 0.4237076E+01 Qxc -0.3130203E+01 3,+1 79 3 +1 0.528168 1.660479 0.459641 Rho 0.8197296E-02 |GRAD(Rho)| 0.1188433E-12 GRAD(Rho)x 0.7876248E-13 GRAD(Rho)y 0.8385041E-13 GRAD(Rho)z 0.2982117E-13 Laplacian 0.3263866E-01 (-1/4)Del**2(Rho)) -0.8159664E-02 Diamond 0.8098846E-03 Metallicity 0.7036098E+00 Ellipticity -0.1395183E+01 Gb(Abramov) 0.6396646E-02 Vb(Abramov) -0.4633628E-02 Hb(Abramov) 0.1763018E-02 Ex_ueg -0.1220710E-02 Ec_ueg -0.2869982E-03 Delta_ex -0.1469110E-02 Delta_ec 0.4521417E-03 Delta_et -0.3058317E-02 Pxc 0.4253372E+01 Qxc -0.3249225E+01 3,+1 80 3 +1 1.245127 -1.176306 2.155124 Rho 0.2618531E-01 |GRAD(Rho)| 0.5868610E-12 GRAD(Rho)x 0.4539289E-12 GRAD(Rho)y 0.2970202E-12 GRAD(Rho)z 0.2239048E-12 Laplacian 0.9728198E-01 (-1/4)Del**2(Rho)) -0.2432050E-01 Diamond 0.1263233E-01 Metallicity 0.1635599E+01 Ellipticity -0.3381709E+01 Gb(Abramov) 0.2284343E-01 Vb(Abramov) -0.2136636E-01 Hb(Abramov) 0.1477068E-02 Ex_ueg -0.5742865E-02 Ec_ueg -0.1148576E-02 Delta_ex -0.6030995E-02 Delta_ec 0.1481448E-02 Delta_et -0.1325906E-01 Pxc 0.4999988E+01 Qxc -0.4071015E+01 3,+1 81 3 -1 0.489509 -1.742847 1.690799 Rho 0.5188621E-01 |GRAD(Rho)| 0.1464152E-14 GRAD(Rho)x 0.3141010E-17 GRAD(Rho)y -0.6095389E-15 GRAD(Rho)z 0.1331238E-14 Laplacian 0.1985236E+00 (-1/4)Del**2(Rho)) -0.4963090E-01 Diamond 0.1031402E+00 Metallicity 0.2505461E+01 Ellipticity 0.7637725E-02 Gb(Abramov) 0.5381198E-01 Vb(Abramov) -0.5799306E-01 Hb(Abramov) -0.4181079E-02 Ex_ueg -0.1429292E-01 Ec_ueg -0.2519399E-02 Delta_ex -0.1638379E-01 Delta_ec 0.5716346E-02 Delta_et -0.6079912E-01 Pxc 0.5673147E+01 Qxc -0.2866129E+01 3,-1 82 3 -1 0.829736 -1.970811 3.014514 Rho 0.1398925E+00 |GRAD(Rho)| 0.1910879E-15 GRAD(Rho)x -0.1009392E-15 GRAD(Rho)y -0.1609498E-15 GRAD(Rho)z 0.2051853E-16 Laplacian 0.5535403E+00 (-1/4)Del**2(Rho)) -0.1383851E+00 Diamond 0.1034849E+01 Metallicity 0.4693044E+01 Ellipticity 0.3991598E-01 Gb(Abramov) 0.2004979E+00 Vb(Abramov) -0.2626108E+00 Hb(Abramov) -0.6211285E-01 Ex_ueg -0.5363451E-01 Ec_ueg -0.7799662E-02 Delta_ex -0.5847469E-01 Delta_ec 0.1435141E-01 Delta_et -0.1892555E+00 Pxc 0.6876517E+01 Qxc -0.4074492E+01 3,-1 83 3 +1 0.178207 -0.211830 2.956106 Rho 0.6187573E-02 |GRAD(Rho)| 0.1081376E-16 GRAD(Rho)x 0.1059924E-16 GRAD(Rho)y 0.1623459E-17 GRAD(Rho)z 0.1399214E-17 Laplacian 0.2601544E-01 (-1/4)Del**2(Rho)) -0.6503861E-02 Diamond 0.7159551E-03 Metallicity 0.5523943E+00 Ellipticity -0.2147162E+01 Gb(Abramov) 0.4934690E-02 Vb(Abramov) -0.3365519E-02 Hb(Abramov) 0.1569171E-02 Ex_ueg -0.8389682E-03 Ec_ueg -0.1983715E-03 Delta_ex -0.1284246E-02 Delta_ec 0.7042304E-03 Delta_et -0.4121867E-02 Pxc 0.4229277E+01 Qxc -0.1823616E+01 3,+1 84 3 +3 -1.132723 1.089607 -1.105130 Rho 0.5286554E-02 |GRAD(Rho)| 0.2683751E-17 GRAD(Rho)x 0.1145772E-17 GRAD(Rho)y -0.1929201E-17 GRAD(Rho)z -0.1472382E-17 Laplacian 0.2091288E-01 (-1/4)Del**2(Rho)) -0.5228219E-02 Diamond 0.1523622E-03 Metallicity 0.5286324E+00 Ellipticity -0.1645149E+00 Gb(Abramov) 0.3946114E-02 Vb(Abramov) -0.2664009E-02 Hb(Abramov) 0.1282105E-02 Ex_ueg -0.6801665E-03 Ec_ueg -0.1592651E-03 Delta_ex -0.7292676E-03 Delta_ec 0.8400881E-04 Delta_et -0.6946942E-03 Pxc 0.4270655E+01 Qxc -0.8680846E+01 3,+3 85 3 +3 2.294444 -0.004410 0.033617 Rho 0.4445050E-02 |GRAD(Rho)| 0.6842571E-17 GRAD(Rho)x -0.6737944E-17 GRAD(Rho)y -0.7792984E-18 GRAD(Rho)z -0.9019818E-18 Laplacian 0.1861013E-01 (-1/4)Del**2(Rho)) -0.4652532E-02 Diamond 0.1592691E-03 Metallicity 0.4449641E+00 Ellipticity -0.2416341E+00 Gb(Abramov) 0.3446723E-02 Vb(Abramov) -0.2240914E-02 Hb(Abramov) 0.1205809E-02 Ex_ueg -0.5397848E-03 Ec_ueg -0.1231098E-03 Delta_ex -0.6752132E-03 Delta_ec 0.1762962E-03 Delta_et -0.1091677E-02 Pxc 0.4384581E+01 Qxc -0.3829992E+01 3,+3 86 3 +1 2.121790 -1.361992 1.103402 Rho 0.2672024E-01 |GRAD(Rho)| 0.6159840E-16 GRAD(Rho)x 0.5757958E-16 GRAD(Rho)y -0.1235845E-16 GRAD(Rho)z 0.1806166E-16 Laplacian 0.1027755E+00 (-1/4)Del**2(Rho)) -0.2569388E-01 Diamond 0.1426605E-01 Metallicity 0.1601244E+01 Ellipticity -0.3665912E+01 Gb(Abramov) 0.2398628E-01 Vb(Abramov) -0.2227868E-01 Hb(Abramov) 0.1707599E-02 Ex_ueg -0.5899822E-02 Ec_ueg -0.1175710E-02 Delta_ex -0.6460667E-02 Delta_ec 0.1661374E-02 Delta_et -0.1491974E-01 Pxc 0.5018094E+01 Qxc -0.3888749E+01 3,+1 87 3 +1 1.525702 -1.995599 -1.989540 Rho 0.6873954E-02 |GRAD(Rho)| 0.1046770E-16 GRAD(Rho)x 0.5191888E-17 GRAD(Rho)y 0.8747309E-17 GRAD(Rho)z 0.2470160E-17 Laplacian 0.3031727E-01 (-1/4)Del**2(Rho)) -0.7579317E-02 Diamond 0.9813941E-03 Metallicity 0.5648513E+00 Ellipticity -0.2109675E+01 Gb(Abramov) 0.5766409E-02 Vb(Abramov) -0.3953501E-02 Hb(Abramov) 0.1812908E-02 Ex_ueg -0.9652961E-03 Ec_ueg -0.2284271E-03 Delta_ex -0.1542216E-02 Delta_ec 0.8422484E-03 Delta_et -0.5074582E-02 Pxc 0.4225838E+01 Qxc -0.1831070E+01 3,+1 88 3 -1 0.853230 -3.001295 2.028777 Rho 0.1535525E+00 |GRAD(Rho)| 0.2236452E-13 GRAD(Rho)x -0.1084300E-13 GRAD(Rho)y -0.8104533E-14 GRAD(Rho)z 0.1780218E-13 Laplacian 0.6067900E+00 (-1/4)Del**2(Rho)) -0.1516975E+00 Diamond 0.1265804E+01 Metallicity 0.5000376E+01 Ellipticity 0.6412823E-01 Gb(Abramov) 0.2275558E+00 Vb(Abramov) -0.3034140E+00 Hb(Abramov) -0.7585826E-01 Ex_ueg -0.6072871E-01 Ec_ueg -0.8671309E-02 Delta_ex -0.6555060E-01 Delta_ec 0.1532479E-01 Delta_et -0.2047034E+00 Pxc 0.7003408E+01 Qxc -0.4277423E+01 3,-1 89 3 +1 1.944494 -1.984675 1.991548 Rho 0.1256556E-01 |GRAD(Rho)| 0.1518357E-16 GRAD(Rho)x 0.1018849E-16 GRAD(Rho)y 0.1638360E-17 GRAD(Rho)z -0.1113783E-16 Laplacian 0.5732748E-01 (-1/4)Del**2(Rho)) -0.1433187E-01 Diamond 0.1737235E-02 Metallicity 0.8163690E+00 Ellipticity -0.1033539E+01 Gb(Abramov) 0.1150460E-01 Vb(Abramov) -0.8677321E-02 Hb(Abramov) 0.2827274E-02 Ex_ueg -0.2157549E-02 Ec_ueg -0.4857396E-03 Delta_ex -0.2659528E-02 Delta_ec 0.3997530E-03 Delta_et -0.3289321E-02 Pxc 0.4441781E+01 Qxc -0.6652927E+01 3,+1 90 3 +1 1.226982 -2.218449 1.170202 Rho 0.2890034E-01 |GRAD(Rho)| 0.2174022E-16 GRAD(Rho)x 0.1677577E-16 GRAD(Rho)y -0.3574269E-17 GRAD(Rho)z -0.1335796E-16 Laplacian 0.1118047E+00 (-1/4)Del**2(Rho)) -0.2795118E-01 Diamond 0.1730138E-01 Metallicity 0.1677482E+01 Ellipticity -0.4191569E+01 Gb(Abramov) 0.2644872E-01 Vb(Abramov) -0.2494626E-01 Hb(Abramov) 0.1502460E-02 Ex_ueg -0.6550215E-02 Ec_ueg -0.1287026E-02 Delta_ex -0.7179943E-02 Delta_ec 0.1808780E-02 Delta_et -0.1654630E-01 Pxc 0.5089420E+01 Qxc -0.3969494E+01 3,+1 91 3 -1 1.717226 -2.951496 -0.576694 Rho 0.2199425E+00 |GRAD(Rho)| 0.1729314E-15 GRAD(Rho)x -0.1214306E-15 GRAD(Rho)y 0.2675269E-16 GRAD(Rho)z -0.1201838E-15 Laplacian 0.8666616E+00 (-1/4)Del**2(Rho)) -0.2166654E+00 Diamond 0.2727370E+01 Metallicity 0.6372045E+01 Ellipticity 0.2288701E-01 Gb(Abramov) 0.3745439E+00 Vb(Abramov) -0.5324223E+00 Hb(Abramov) -0.1578785E+00 Ex_ueg -0.9805368E-01 Ec_ueg -0.1306363E-01 Delta_ex -0.1021695E+00 Delta_ec 0.1929297E-01 Delta_et -0.2648249E+00 Pxc 0.7505855E+01 Qxc -0.5295688E+01 3,-1 92 3 -1 1.916128 -3.027329 0.856734 Rho 0.1243795E+00 |GRAD(Rho)| 0.2525632E-15 GRAD(Rho)x -0.6374431E-16 GRAD(Rho)y 0.1467739E-16 GRAD(Rho)z -0.2439455E-15 Laplacian 0.4805586E+00 (-1/4)Del**2(Rho)) -0.1201397E+00 Diamond 0.7893918E+00 Metallicity 0.4444073E+01 Ellipticity 0.2413562E-01 Gb(Abramov) 0.1690780E+00 Vb(Abramov) -0.2180164E+00 Hb(Abramov) -0.4893835E-01 Ex_ueg -0.4585464E-01 Ec_ueg -0.6824220E-02 Delta_ex -0.4946434E-01 Delta_ec 0.1302719E-01 Delta_et -0.1689416E+00 Pxc 0.6719396E+01 Qxc -0.3797009E+01 3,-1 93 3 +3 1.922028 -1.963210 1.967004 Rho 0.1256477E-01 |GRAD(Rho)| 0.2614255E-16 GRAD(Rho)x -0.2407042E-16 GRAD(Rho)y -0.2861014E-17 GRAD(Rho)z 0.9790936E-17 Laplacian 0.5709187E-01 (-1/4)Del**2(Rho)) -0.1427297E-01 Diamond 0.1626228E-02 Metallicity 0.8196531E+00 Ellipticity -0.9631683E+00 Gb(Abramov) 0.1146513E-01 Vb(Abramov) -0.8657283E-02 Hb(Abramov) 0.2807842E-02 Ex_ueg -0.2157370E-02 Ec_ueg -0.4857033E-03 Delta_ex -0.2620361E-02 Delta_ec 0.3477808E-03 Delta_et -0.2931824E-02 Pxc 0.4441744E+01 Qxc -0.7534520E+01 3,+3 94 3 -1 1.677251 -0.579480 1.682801 Rho 0.4246454E-01 |GRAD(Rho)| 0.1031919E-15 GRAD(Rho)x -0.5832881E-16 GRAD(Rho)y -0.8202858E-16 GRAD(Rho)z 0.2275152E-16 Laplacian 0.1586986E+00 (-1/4)Del**2(Rho)) -0.3967466E-01 Diamond 0.6183194E-01 Metallicity 0.2244316E+01 Ellipticity 0.3325763E-01 Gb(Abramov) 0.4129018E-01 Vb(Abramov) -0.4290571E-01 Hb(Abramov) -0.1615525E-02 Ex_ueg -0.1094175E-01 Ec_ueg -0.2002784E-02 Delta_ex -0.1240048E-01 Delta_ec 0.4485829E-02 Delta_et -0.4526416E-01 Pxc 0.5463273E+01 Qxc -0.2764368E+01 3,-1 95 3 -1 1.725635 1.662537 -0.567694 Rho 0.4129890E-01 |GRAD(Rho)| 0.5115761E-16 GRAD(Rho)x -0.1780294E-16 GRAD(Rho)y -0.2334889E-16 GRAD(Rho)z -0.4189256E-16 Laplacian 0.1539777E+00 (-1/4)Del**2(Rho)) -0.3849442E-01 Diamond 0.5782964E-01 Metallicity 0.2208273E+01 Ellipticity 0.1900028E-01 Gb(Abramov) 0.3983065E-01 Vb(Abramov) -0.4116687E-01 Hb(Abramov) -0.1336226E-02 Ex_ueg -0.1054313E-01 Ec_ueg -0.1939879E-02 Delta_ex -0.1195143E-01 Delta_ec 0.4359872E-02 Delta_et -0.4367171E-01 Pxc 0.5434944E+01 Qxc -0.2741234E+01 3,-1 96 3 -1 2.001533 2.976656 -0.853017 Rho 0.1408093E+00 |GRAD(Rho)| 0.2563184E-15 GRAD(Rho)x 0.1425319E-15 GRAD(Rho)y 0.1627387E-15 GRAD(Rho)z -0.1374768E-15 Laplacian 0.5510000E+00 (-1/4)Del**2(Rho)) -0.1377500E+00 Diamond 0.1043067E+01 Metallicity 0.4766290E+01 Ellipticity 0.3278352E-01 Gb(Abramov) 0.2012594E+00 Vb(Abramov) -0.2647688E+00 Hb(Abramov) -0.6350940E-01 Ex_ueg -0.5410368E-01 Ec_ueg -0.7857797E-02 Delta_ex -0.5835154E-01 Delta_ec 0.1435673E-01 Delta_et -0.1897094E+00 Pxc 0.6885350E+01 Qxc -0.4064402E+01 3,-1 97 3 -1 1.817536 2.749209 0.529888 Rho 0.1181999E+00 |GRAD(Rho)| 0.2331355E-15 GRAD(Rho)x 0.2115956E-15 GRAD(Rho)y -0.2051175E-16 GRAD(Rho)z -0.9570117E-16 Laplacian 0.5005098E+00 (-1/4)Del**2(Rho)) -0.1251275E+00 Diamond 0.7653893E+00 Metallicity 0.3919486E+01 Ellipticity 0.1109052E-01 Gb(Abramov) 0.1651575E+00 Vb(Abramov) -0.2051876E+00 Hb(Abramov) -0.4003006E-01 Ex_ueg -0.4284248E-01 Ec_ueg -0.6440158E-02 Delta_ex -0.5078940E-01 Delta_ec 0.1353608E-01 Delta_et -0.1736632E+00 Pxc 0.6652396E+01 Qxc -0.3752150E+01 3,-1 98 3 +1 0.207588 2.942745 -0.186611 Rho 0.6117773E-02 |GRAD(Rho)| 0.3974013E-17 GRAD(Rho)x 0.2288935E-17 GRAD(Rho)y 0.1746073E-17 GRAD(Rho)z -0.2739487E-17 Laplacian 0.2564370E-01 (-1/4)Del**2(Rho)) -0.6410924E-02 Diamond 0.6968754E-03 Metallicity 0.5499056E+00 Ellipticity -0.2157013E+01 Gb(Abramov) 0.4861517E-02 Vb(Abramov) -0.3312109E-02 Hb(Abramov) 0.1549408E-02 Ex_ueg -0.8263731E-03 Ec_ueg -0.1953278E-03 Delta_ex -0.1264217E-02 Delta_ec 0.6965237E-03 Delta_et -0.4062113E-02 Pxc 0.4230699E+01 Qxc -0.1815038E+01 3,+1 99 3 +1 2.911204 -0.122262 0.142401 Rho 0.5240771E-02 |GRAD(Rho)| 0.1408337E-16 GRAD(Rho)x -0.2247698E-18 GRAD(Rho)y -0.9468544E-17 GRAD(Rho)z -0.1042293E-16 Laplacian 0.2148809E-01 (-1/4)Del**2(Rho)) -0.5372021E-02 Diamond 0.5536425E-03 Metallicity 0.5070772E+00 Ellipticity -0.4455756E+01 Gb(Abramov) 0.4035352E-02 Vb(Abramov) -0.2698684E-02 Hb(Abramov) 0.1336669E-02 Ex_ueg -0.6723240E-03 Ec_ueg -0.1572888E-03 Delta_ex -0.1095433E-02 Delta_ec 0.7075204E-03 Delta_et -0.3884643E-02 Pxc 0.4274455E+01 Qxc -0.1548270E+01 3,+1 100 3 -1 2.952426 0.802819 -2.005812 Rho 0.7560274E-01 |GRAD(Rho)| 0.1279269E-15 GRAD(Rho)x -0.3956999E-16 GRAD(Rho)y 0.2152819E-16 GRAD(Rho)z -0.1197332E-15 Laplacian 0.3028400E+00 (-1/4)Del**2(Rho)) -0.7571000E-01 Diamond 0.2652284E+00 Metallicity 0.3075831E+01 Ellipticity 0.2010021E-02 Gb(Abramov) 0.8928520E-01 Vb(Abramov) -0.1028604E+00 Hb(Abramov) -0.1357520E-01 Ex_ueg -0.2361031E-01 Ec_ueg -0.3872649E-02 Delta_ex -0.2760353E-01 Delta_ec 0.8812566E-02 Delta_et -0.1029889E+00 Pxc 0.6096684E+01 Qxc -0.3132291E+01 3,-1 101 3 +1 2.912045 0.148455 -0.131802 Rho 0.5225013E-02 |GRAD(Rho)| 0.1520265E-16 GRAD(Rho)x -0.2514923E-18 GRAD(Rho)y -0.2339949E-17 GRAD(Rho)z -0.1501938E-16 Laplacian 0.2143893E-01 (-1/4)Del**2(Rho)) -0.5359731E-02 Diamond 0.5292750E-03 Metallicity 0.5056955E+00 Ellipticity -0.3267233E+01 Gb(Abramov) 0.4024886E-02 Vb(Abramov) -0.2690041E-02 Hb(Abramov) 0.1334845E-02 Ex_ueg -0.6696300E-03 Ec_ueg -0.1566088E-03 Delta_ex -0.1074024E-02 Delta_ec 0.6732753E-03 Delta_et -0.3705817E-02 Pxc 0.4275812E+01 Qxc -0.1595222E+01 3,+1 102 3 +1 2.181190 1.046925 -1.389470 Rho 0.2442189E-01 |GRAD(Rho)| 0.7839770E-16 GRAD(Rho)x -0.7426036E-16 GRAD(Rho)y -0.2852186E-17 GRAD(Rho)z 0.2496927E-16 Laplacian 0.9065075E-01 (-1/4)Del**2(Rho)) -0.2266269E-01 Diamond 0.1030866E-01 Metallicity 0.1562693E+01 Ellipticity -0.2703196E+01 Gb(Abramov) 0.2101093E-01 Vb(Abramov) -0.1935917E-01 Hb(Abramov) 0.1651758E-02 Ex_ueg -0.5233079E-02 Ec_ueg -0.1059651E-02 Delta_ex -0.5471604E-02 Delta_ec 0.1303874E-02 Delta_et -0.1150193E-01 Pxc 0.4938492E+01 Qxc -0.4196421E+01 3,+1 103 3 +1 1.611342 -0.561845 -0.536577 Rho 0.9191427E-02 |GRAD(Rho)| 0.1299738E-16 GRAD(Rho)x 0.8129043E-17 GRAD(Rho)y -0.9124547E-17 GRAD(Rho)z 0.4426425E-17 Laplacian 0.3762446E-01 (-1/4)Del**2(Rho)) -0.9406115E-02 Diamond 0.1067239E-02 Metallicity 0.7386654E+00 Ellipticity -0.1386718E+01 Gb(Abramov) 0.7428739E-02 Vb(Abramov) -0.5451362E-02 Hb(Abramov) 0.1977376E-02 Ex_ueg -0.1421987E-02 Ec_ueg -0.3315192E-03 Delta_ex -0.1733583E-02 Delta_ec 0.5035093E-03 Delta_et -0.3521304E-02 Pxc 0.4289305E+01 Qxc -0.3443001E+01 3,+1 104 3 -1 3.039858 1.980800 -0.860681 Rho 0.1891424E+00 |GRAD(Rho)| 0.5516573E-15 GRAD(Rho)x -0.1480207E-15 GRAD(Rho)y 0.1530080E-15 GRAD(Rho)z 0.5089245E-15 Laplacian 0.7347658E+00 (-1/4)Del**2(Rho)) -0.1836915E+00 Diamond 0.1959824E+01 Metallicity 0.5844928E+01 Ellipticity 0.5351795E-01 Gb(Abramov) 0.3014049E+00 Vb(Abramov) -0.4191183E+00 Hb(Abramov) -0.1177134E+00 Ex_ueg -0.8018695E-01 Ec_ueg -0.1099473E-01 Delta_ex -0.8355390E-01 Delta_ec 0.1746598E-01 Delta_et -0.2386382E+00 Pxc 0.7293216E+01 Qxc -0.4783808E+01 3,-1 105 3 -1 2.793379 1.784873 0.559150 Rho 0.1433809E+00 |GRAD(Rho)| 0.2493578E-15 GRAD(Rho)x -0.3348829E-16 GRAD(Rho)y 0.7480995E-16 GRAD(Rho)z -0.2355023E-15 Laplacian 0.6025465E+00 (-1/4)Del**2(Rho)) -0.1506366E+00 Diamond 0.1163050E+01 Metallicity 0.4492020E+01 Ellipticity 0.1341626E-01 Gb(Abramov) 0.2132015E+00 Vb(Abramov) -0.2757664E+00 Hb(Abramov) -0.6256491E-01 Ex_ueg -0.5542516E-01 Ec_ueg -0.8021155E-02 Delta_ex -0.6406396E-01 Delta_ec 0.1558045E-01 Delta_et -0.2063345E+00 Pxc 0.6909873E+01 Qxc -0.4111817E+01 3,-1 106 3 +1 -1.728427 0.534217 -0.458315 Rho 0.1002676E-01 |GRAD(Rho)| 0.1844163E-16 GRAD(Rho)x -0.1333663E-16 GRAD(Rho)y 0.7231861E-17 GRAD(Rho)z -0.1048467E-16 Laplacian 0.4038533E-01 (-1/4)Del**2(Rho)) -0.1009633E-01 Diamond 0.1272952E-02 Metallicity 0.7955317E+00 Ellipticity -0.1423319E+01 Gb(Abramov) 0.8069547E-02 Vb(Abramov) -0.6042762E-02 Hb(Abramov) 0.2026785E-02 Ex_ueg -0.1596857E-02 Ec_ueg -0.3692614E-03 Delta_ex -0.1896692E-02 Delta_ec 0.5292160E-03 Delta_et -0.3792090E-02 Pxc 0.4324463E+01 Qxc -0.3583965E+01 3,+1 107 3 -1 -1.723814 1.675778 0.523774 Rho 0.5165976E-01 |GRAD(Rho)| 0.1000116E-12 GRAD(Rho)x 0.5865269E-13 GRAD(Rho)y 0.1672402E-13 GRAD(Rho)z -0.7926214E-13 Laplacian 0.1961836E+00 (-1/4)Del**2(Rho)) -0.4904591E-01 Diamond 0.1011720E+00 Metallicity 0.2516929E+01 Ellipticity 0.1515308E-01 Gb(Abramov) 0.5327145E-01 Vb(Abramov) -0.5749700E-01 Hb(Abramov) -0.4225544E-02 Ex_ueg -0.1420981E-01 Ec_ueg -0.2506823E-02 Delta_ex -0.1616658E-01 Delta_ec 0.5638261E-02 Delta_et -0.5989770E-01 Pxc 0.5668454E+01 Qxc -0.2867299E+01 3,-1 108 3 -1 -2.001728 2.946274 0.859521 Rho 0.1160619E+00 |GRAD(Rho)| 0.2407872E-15 GRAD(Rho)x 0.1499926E-15 GRAD(Rho)y -0.1179070E-16 GRAD(Rho)z 0.1879939E-15 Laplacian 0.4627392E+00 (-1/4)Del**2(Rho)) -0.1156848E+00 Diamond 0.6881658E+00 Metallicity 0.4112375E+01 Ellipticity 0.2022716E-01 Gb(Abramov) 0.1564131E+00 Vb(Abramov) -0.1971414E+00 Hb(Abramov) -0.4072828E-01 Ex_ueg -0.4181233E-01 Ec_ueg -0.6307898E-02 Delta_ex -0.4669617E-01 Delta_ec 0.1246496E-01 Delta_et -0.1592406E+00 Pxc 0.6628568E+01 Qxc -0.3746196E+01 3,-1 109 3 -1 -3.204140 3.136018 -0.066403 Rho 0.2324093E+00 |GRAD(Rho)| 0.1278915E-13 GRAD(Rho)x -0.1063331E-14 GRAD(Rho)y 0.1150257E-13 GRAD(Rho)z 0.5488394E-14 Laplacian 0.8670801E+00 (-1/4)Del**2(Rho)) -0.2167700E+00 Diamond 0.2934107E+01 Metallicity 0.6981948E+01 Ellipticity 0.9235355E-02 Gb(Abramov) 0.3967595E+00 Vb(Abramov) -0.5767490E+00 Hb(Abramov) -0.1799895E+00 Ex_ueg -0.1055334E+00 Ec_ueg -0.1391597E-01 Delta_ex -0.1037970E+00 Delta_ec 0.1917620E-01 Delta_et -0.2646174E+00 Pxc 0.7583616E+01 Qxc -0.5412803E+01 3,-1 110 3 -1 -2.796511 1.749684 -0.538945 Rho 0.1954447E+00 |GRAD(Rho)| 0.2445506E-13 GRAD(Rho)x 0.6645468E-14 GRAD(Rho)y 0.1518181E-13 GRAD(Rho)z 0.1798334E-13 Laplacian 0.8004929E+00 (-1/4)Del**2(Rho)) -0.2001232E+00 Diamond 0.2192891E+01 Metallicity 0.5666246E+01 Ellipticity 0.2046305E-01 Gb(Abramov) 0.3224067E+00 Vb(Abramov) -0.4446902E+00 Hb(Abramov) -0.1222835E+00 Ex_ueg -0.8376904E-01 Ec_ueg -0.1141375E-01 Delta_ex -0.9159317E-01 Delta_ec 0.1851076E-01 Delta_et -0.2524834E+00 Pxc 0.7339307E+01 Qxc -0.4948105E+01 3,-1 111 3 -1 -3.011151 1.954516 0.882772 Rho 0.1339418E+00 |GRAD(Rho)| 0.5247004E-15 GRAD(Rho)x 0.3181388E-15 GRAD(Rho)y -0.4172417E-15 GRAD(Rho)z -0.2751163E-17 Laplacian 0.5225499E+00 (-1/4)Del**2(Rho)) -0.1306375E+00 Diamond 0.9337787E+00 Metallicity 0.4623944E+01 Ellipticity 0.3206102E-01 Gb(Abramov) 0.1877684E+00 Vb(Abramov) -0.2448993E+00 Hb(Abramov) -0.5713089E-01 Ex_ueg -0.5061432E-01 Ec_ueg -0.7423627E-02 Delta_ex -0.5469809E-01 Delta_ec 0.1382694E-01 Delta_et -0.1813768E+00 Pxc 0.6818004E+01 Qxc -0.3955908E+01 3,-1 112 3 -1 -1.733207 0.458706 -2.811884 Rho 0.1352665E+00 |GRAD(Rho)| 0.4395479E-15 GRAD(Rho)x -0.2504643E-15 GRAD(Rho)y -0.3505361E-15 GRAD(Rho)z 0.8714614E-16 Laplacian 0.5673601E+00 (-1/4)Del**2(Rho)) -0.1418400E+00 Diamond 0.1029774E+01 Metallicity 0.4329169E+01 Ellipticity 0.1209347E-01 Gb(Abramov) 0.1969016E+00 Vb(Abramov) -0.2519632E+00 Hb(Abramov) -0.5506156E-01 Ex_ueg -0.5128282E-01 Ec_ueg -0.7507134E-02 Delta_ex -0.5957409E-01 Delta_ec 0.1505616E-01 Delta_et -0.1979665E+00 Pxc 0.6831210E+01 Qxc -0.3956791E+01 3,-1 113 3 -1 -1.700325 0.541329 1.735969 Rho 0.5045340E-01 |GRAD(Rho)| 0.4298335E-16 GRAD(Rho)x 0.1121937E-16 GRAD(Rho)y 0.4094240E-16 GRAD(Rho)z -0.6738994E-17 Laplacian 0.1919546E+00 (-1/4)Del**2(Rho)) -0.4798865E-01 Diamond 0.9556345E-01 Metallicity 0.2473045E+01 Ellipticity 0.9440326E-02 Gb(Abramov) 0.5177212E-01 Vb(Abramov) -0.5555558E-01 Hb(Abramov) -0.3783468E-02 Ex_ueg -0.1376910E-01 Ec_ueg -0.2439952E-02 Delta_ex -0.1571081E-01 Delta_ec 0.5495181E-02 Delta_et -0.5801677E-01 Pxc 0.5643187E+01 Qxc -0.2859016E+01 3,-1 114 3 +1 -0.565026 0.472939 -1.664458 Rho 0.9643539E-02 |GRAD(Rho)| 0.3929537E-13 GRAD(Rho)x 0.3623521E-13 GRAD(Rho)y -0.7013039E-14 GRAD(Rho)z 0.1348899E-13 Laplacian 0.3941508E-01 (-1/4)Del**2(Rho)) -0.9853769E-02 Diamond 0.1199673E-02 Metallicity 0.7638561E+00 Ellipticity -0.1411818E+01 Gb(Abramov) 0.7823656E-02 Vb(Abramov) -0.5793544E-02 Hb(Abramov) 0.2030113E-02 Ex_ueg -0.1516004E-02 Ec_ueg -0.3519095E-03 Delta_ex -0.1840937E-02 Delta_ec 0.5315246E-03 Delta_et -0.3759154E-02 Pxc 0.4307937E+01 Qxc -0.3463502E+01 3,+1 115 3 +1 -1.190669 1.260871 2.192590 Rho 0.2813077E-01 |GRAD(Rho)| 0.3810229E-14 GRAD(Rho)x 0.2277694E-14 GRAD(Rho)y 0.2936445E-14 GRAD(Rho)z 0.8409802E-15 Laplacian 0.1074812E+00 (-1/4)Del**2(Rho)) -0.2687031E-01 Diamond 0.1576662E-01 Metallicity 0.1668207E+01 Ellipticity -0.3807831E+01 Gb(Abramov) 0.2538441E-01 Vb(Abramov) -0.2389852E-01 Hb(Abramov) 0.1485895E-02 Ex_ueg -0.6318694E-02 Ec_ueg -0.1247600E-02 Delta_ex -0.6828030E-02 Delta_ec 0.1696110E-02 Delta_et -0.1542414E-01 Pxc 0.5064680E+01 Qxc -0.4025701E+01 3,+1 116 3 -1 -1.969557 0.879922 3.031387 Rho 0.1531598E+00 |GRAD(Rho)| 0.5095005E-12 GRAD(Rho)x 0.2684525E-12 GRAD(Rho)y 0.3673437E-12 GRAD(Rho)z 0.2293090E-12 Laplacian 0.6005263E+00 (-1/4)Del**2(Rho)) -0.1501316E+00 Diamond 0.1250553E+01 Metallicity 0.5031018E+01 Ellipticity 0.5220284E-01 Gb(Abramov) 0.2259735E+00 Vb(Abramov) -0.3018154E+00 Hb(Abramov) -0.7584192E-01 Ex_ueg -0.6052176E-01 Ec_ueg -0.8646094E-02 Delta_ex -0.6484912E-01 Delta_ec 0.1520505E-01 Delta_et -0.2031017E+00 Pxc 0.6999896E+01 Qxc -0.4264973E+01 3,-1 117 3 +1 -2.181791 1.233260 1.241255 Rho 0.2807345E-01 |GRAD(Rho)| 0.7275284E-16 GRAD(Rho)x -0.6372128E-16 GRAD(Rho)y 0.3140807E-16 GRAD(Rho)z 0.1568782E-16 Laplacian 0.1065963E+00 (-1/4)Del**2(Rho)) -0.2664909E-01 Diamond 0.1564690E-01 Metallicity 0.1676347E+01 Ellipticity -0.3983378E+01 Gb(Abramov) 0.2521158E-01 Vb(Abramov) -0.2377407E-01 Hb(Abramov) 0.1437509E-02 Ex_ueg -0.6301532E-02 Ec_ueg -0.1244669E-02 Delta_ex -0.6773088E-02 Delta_ec 0.1691122E-02 Delta_et -0.1537009E-01 Pxc 0.5062819E+01 Qxc -0.4005085E+01 3,+1 118 3 +1 -1.745615 1.701844 -1.719807 Rho 0.1139049E-01 |GRAD(Rho)| 0.4246812E-14 GRAD(Rho)x 0.3512505E-15 GRAD(Rho)y -0.2702330E-14 GRAD(Rho)z -0.3257215E-14 Laplacian 0.5528195E-01 (-1/4)Del**2(Rho)) -0.1382049E-01 Diamond 0.2087813E-02 Metallicity 0.7187875E+00 Ellipticity -0.1288417E+01 Gb(Abramov) 0.1086932E-01 Vb(Abramov) -0.7918160E-02 Hb(Abramov) 0.2951163E-02 Ex_ueg -0.1892816E-02 Ec_ueg -0.4315055E-03 Delta_ex -0.2688195E-02 Delta_ec 0.7316223E-03 Delta_et -0.5405179E-02 Pxc 0.4386538E+01 Qxc -0.3674294E+01 3,+1 119 3 +1 -0.523556 1.640684 -0.523678 Rho 0.9048302E-02 |GRAD(Rho)| 0.4644371E-16 GRAD(Rho)x 0.7419041E-17 GRAD(Rho)y 0.4576021E-16 GRAD(Rho)z -0.2824816E-17 Laplacian 0.3574392E-01 (-1/4)Del**2(Rho)) -0.8935979E-02 Diamond 0.9747106E-03 Metallicity 0.7574539E+00 Ellipticity -0.1398582E+01 Gb(Abramov) 0.7085418E-02 Vb(Abramov) -0.5234857E-02 Hb(Abramov) 0.1850561E-02 Ex_ueg -0.1392541E-02 Ec_ueg -0.3250827E-03 Delta_ex -0.1632864E-02 Delta_ec 0.4650394E-03 Delta_et -0.3250577E-02 Pxc 0.4283650E+01 Qxc -0.3511238E+01 3,+1 120 3 +1 -1.310574 2.164377 1.155546 Rho 0.2891936E-01 |GRAD(Rho)| 0.3888727E-16 GRAD(Rho)x 0.1866694E-16 GRAD(Rho)y -0.2897464E-16 GRAD(Rho)z 0.1800653E-16 Laplacian 0.1120782E+00 (-1/4)Del**2(Rho)) -0.2801954E-01 Diamond 0.1714842E-01 Metallicity 0.1675226E+01 Ellipticity -0.3855931E+01 Gb(Abramov) 0.2650287E-01 Vb(Abramov) -0.2498620E-01 Hb(Abramov) 0.1516670E-02 Ex_ueg -0.6555965E-02 Ec_ueg -0.1288002E-02 Delta_ex -0.7179914E-02 Delta_ec 0.1779507E-02 Delta_et -0.1628528E-01 Pxc 0.5090026E+01 Qxc -0.4034777E+01 3,+1 121 3 +3 1.095688 1.053933 1.034792 Rho 0.4654704E-02 |GRAD(Rho)| 0.2837249E-12 GRAD(Rho)x 0.1992589E-12 GRAD(Rho)y 0.4685857E-13 GRAD(Rho)z 0.1964688E-12 Laplacian 0.1838628E-01 (-1/4)Del**2(Rho)) -0.4596571E-02 Diamond 0.1202872E-03 Metallicity 0.4863392E+00 Ellipticity -0.9362930E-01 Gb(Abramov) 0.3436963E-02 Vb(Abramov) -0.2277355E-02 Hb(Abramov) 0.1159608E-02 Ex_ueg -0.5739946E-03 Ec_ueg -0.1320837E-03 Delta_ex -0.6267216E-03 Delta_ec 0.8805275E-04 Delta_et -0.6679435E-03 Pxc 0.4345689E+01 Qxc -0.7117570E+01 3,+3 122 3 -1 -1.795902 2.734094 -0.545870 Rho 0.1398925E+00 |GRAD(Rho)| 0.1529255E-15 GRAD(Rho)x -0.1221489E-15 GRAD(Rho)y -0.8101023E-16 GRAD(Rho)z -0.4362558E-16 Laplacian 0.5799697E+00 (-1/4)Del**2(Rho)) -0.1449924E+00 Diamond 0.1090022E+01 Metallicity 0.4479179E+01 Ellipticity 0.1033084E-01 Gb(Abramov) 0.2049028E+00 Vb(Abramov) -0.2648132E+00 Hb(Abramov) -0.5991038E-01 Ex_ueg -0.5363450E-01 Ec_ueg -0.7799661E-02 Delta_ex -0.6132964E-01 Delta_ec 0.1514912E-01 Delta_et -0.2000082E+00 Pxc 0.6876517E+01 Qxc -0.4048397E+01 3,-1 123 3 -1 -0.011103 2.935209 0.028114 Rho 0.6228377E-02 |GRAD(Rho)| 0.6999826E-17 GRAD(Rho)x 0.3604429E-17 GRAD(Rho)y -0.1086589E-17 GRAD(Rho)z 0.5901269E-17 Laplacian 0.2513086E-01 (-1/4)Del**2(Rho)) -0.6282715E-02 Diamond 0.9142779E-03 Metallicity 0.5781368E+00 Ellipticity 0.1876208E+01 Gb(Abramov) 0.4793855E-02 Vb(Abramov) -0.3304994E-02 Hb(Abramov) 0.1488860E-02 Ex_ueg -0.8463530E-03 Ec_ueg -0.2001519E-03 Delta_ex -0.1392285E-02 Delta_ec 0.9480943E-03 Delta_et -0.5437837E-02 Pxc 0.4228553E+01 Qxc -0.1468509E+01 3,-1 124 3 +1 -0.208480 2.920450 0.220168 Rho 0.6147394E-02 |GRAD(Rho)| 0.1425735E-15 GRAD(Rho)x -0.7977085E-16 GRAD(Rho)y 0.7505745E-17 GRAD(Rho)z 0.1179300E-15 Laplacian 0.2576712E-01 (-1/4)Del**2(Rho)) -0.6441781E-02 Diamond 0.7133418E-03 Metallicity 0.5516949E+00 Ellipticity -0.2291076E+01 Gb(Abramov) 0.4886837E-02 Vb(Abramov) -0.3331893E-02 Hb(Abramov) 0.1554944E-02 Ex_ueg -0.8317123E-03 Ec_ueg -0.1966192E-03 Delta_ex -0.1277603E-02 Delta_ec 0.7106242E-03 Delta_et -0.4145342E-02 Pxc 0.4230067E+01 Qxc -0.1797860E+01 3,+1 125 3 -1 -0.859931 2.987419 1.974293 Rho 0.1545046E+00 |GRAD(Rho)| 0.1257259E-13 GRAD(Rho)x 0.9878817E-14 GRAD(Rho)y -0.3601259E-14 GRAD(Rho)z 0.6892748E-14 Laplacian 0.6036269E+00 (-1/4)Del**2(Rho)) -0.1509067E+00 Diamond 0.1270925E+01 Metallicity 0.5078635E+01 Ellipticity 0.4810010E-01 Gb(Abramov) 0.2283378E+00 Vb(Abramov) -0.3057689E+00 Hb(Abramov) -0.7743112E-01 Ex_ueg -0.6123132E-01 Ec_ueg -0.8732495E-02 Delta_ex -0.6533074E-01 Delta_ec 0.1526126E-01 Delta_et -0.2041208E+00 Pxc 0.7011894E+01 Qxc -0.4280821E+01 3,-1 126 3 -1 -0.539930 1.756860 -2.736417 Rho 0.1468574E+00 |GRAD(Rho)| 0.1580674E-13 GRAD(Rho)x 0.1548959E-14 GRAD(Rho)y 0.1388017E-13 GRAD(Rho)z -0.7402336E-14 Laplacian 0.6252085E+00 (-1/4)Del**2(Rho)) -0.1563021E+00 Diamond 0.1234265E+01 Metallicity 0.4505552E+01 Ellipticity 0.1718269E-01 Gb(Abramov) 0.2215726E+00 Vb(Abramov) -0.2868432E+00 Hb(Abramov) -0.6527051E-01 Ex_ueg -0.5722417E-01 Ec_ueg -0.8242646E-02 Delta_ex -0.6678417E-01 Delta_ec 0.1592982E-01 Delta_et -0.2113885E+00 Pxc 0.6942451E+01 Qxc -0.4192399E+01 3,-1 127 3 +3 0.042000 2.248977 -0.020560 Rho 0.4937464E-02 |GRAD(Rho)| 0.9869395E-17 GRAD(Rho)x 0.7269585E-17 GRAD(Rho)y -0.9801942E-18 GRAD(Rho)z 0.6602826E-17 Laplacian 0.2049854E-01 (-1/4)Del**2(Rho)) -0.5124635E-02 Diamond 0.1785305E-03 Metallicity 0.4812789E+00 Ellipticity -0.2945221E+00 Gb(Abramov) 0.3827486E-02 Vb(Abramov) -0.2530338E-02 Hb(Abramov) 0.1297148E-02 Ex_ueg -0.6209505E-03 Ec_ueg -0.1442226E-03 Delta_ex -0.7414620E-03 Delta_ec 0.1540748E-03 Delta_et -0.1032547E-02 Pxc 0.4305500E+01 Qxc -0.4812352E+01 3,+3 128 3 -1 -0.521070 1.711413 1.691985 Rho 0.5317881E-01 |GRAD(Rho)| 0.1346000E-15 GRAD(Rho)x 0.1613174E-17 GRAD(Rho)y 0.1286448E-15 GRAD(Rho)z 0.3956110E-16 Laplacian 0.2052463E+00 (-1/4)Del**2(Rho)) -0.5131157E-01 Diamond 0.1107828E+00 Metallicity 0.2524850E+01 Ellipticity 0.1559488E-01 Gb(Abramov) 0.5580005E-01 Vb(Abramov) -0.6028853E-01 Hb(Abramov) -0.4488481E-02 Ex_ueg -0.1476964E-01 Ec_ueg -0.2591326E-02 Delta_ex -0.1706563E-01 Delta_ec 0.5945682E-02 Delta_et -0.6365148E-01 Pxc 0.5699646E+01 Qxc -0.2870256E+01 3,-1 129 3 +1 -0.226353 0.198155 2.937083 Rho 0.6227697E-02 |GRAD(Rho)| 0.8158104E-18 GRAD(Rho)x -0.6905548E-18 GRAD(Rho)y 0.1636124E-18 GRAD(Rho)z 0.4023824E-18 Laplacian 0.2619173E-01 (-1/4)Del**2(Rho)) -0.6547933E-02 Diamond 0.7409078E-03 Metallicity 0.5546190E+00 Ellipticity -0.2332911E+01 Gb(Abramov) 0.4970557E-02 Vb(Abramov) -0.3393180E-02 Hb(Abramov) 0.1577376E-02 Ex_ueg -0.8462299E-03 Ec_ueg -0.2001223E-03 Delta_ex -0.1304256E-02 Delta_ec 0.7260665E-03 Delta_et -0.4249972E-02 Pxc 0.4228564E+01 Qxc -0.1796331E+01 3,+1 130 3 -1 -0.848915 1.990426 2.984768 Rho 0.1238345E+00 |GRAD(Rho)| 0.5974490E-13 GRAD(Rho)x 0.3224183E-13 GRAD(Rho)y 0.4454404E-14 GRAD(Rho)z -0.5010066E-13 Laplacian 0.4882865E+00 (-1/4)Del**2(Rho)) -0.1220716E+00 Diamond 0.7899283E+00 Metallicity 0.4341846E+01 Ellipticity 0.2776904E-01 Gb(Abramov) 0.1697171E+00 Vb(Abramov) -0.2173626E+00 Hb(Abramov) -0.4764550E-01 Ex_ueg -0.4558695E-01 Ec_ueg -0.6790244E-02 Delta_ex -0.5010511E-01 Delta_ec 0.1306803E-01 Delta_et -0.1690338E+00 Pxc 0.6713595E+01 Qxc -0.3834174E+01 3,-1 131 3 -1 0.019013 -3.354714 -1.221247 Rho 0.4138083E-01 |GRAD(Rho)| 0.7685518E-15 GRAD(Rho)x 0.6176169E-15 GRAD(Rho)y -0.4501975E-15 GRAD(Rho)z 0.8089212E-16 Laplacian 0.1192026E+00 (-1/4)Del**2(Rho)) -0.2980064E-01 Diamond 0.7516410E-01 Metallicity 0.2861934E+01 Ellipticity 0.6242236E-02 Gb(Abramov) 0.3408167E-01 Vb(Abramov) -0.3836270E-01 Hb(Abramov) -0.4281031E-02 Ex_ueg -0.1057103E-01 Ec_ueg -0.1944293E-02 Delta_ex -0.1093609E-01 Delta_ec 0.6373287E-02 Delta_et -0.6430917E-01 Pxc 0.5436955E+01 Qxc -0.1715927E+01 3,-1 132 3 -1 1.765971 0.519954 2.746886 Rho 0.1318832E+00 |GRAD(Rho)| 0.2079702E-16 GRAD(Rho)x -0.1317306E-16 GRAD(Rho)y 0.1608685E-16 GRAD(Rho)z 0.4472334E-18 Laplacian 0.5540879E+00 (-1/4)Del**2(Rho)) -0.1385220E+00 Diamond 0.9623532E+00 Metallicity 0.4249621E+01 Ellipticity 0.1047287E-01 Gb(Abramov) 0.1904590E+00 Vb(Abramov) -0.2423960E+00 Hb(Abramov) -0.5193699E-01 Ex_ueg -0.4957974E-01 Ec_ueg -0.7294070E-02 Delta_ex -0.5767051E-01 Delta_ec 0.1451460E-01 Delta_et -0.1895425E+00 Pxc 0.6797267E+01 Qxc -0.3973277E+01 3,-1 133 3 -1 0.880741 1.985016 -2.963927 Rho 0.1479684E+00 |GRAD(Rho)| 0.4175038E-15 GRAD(Rho)x 0.4153036E-15 GRAD(Rho)y -0.1314595E-17 GRAD(Rho)z -0.4278533E-16 Laplacian 0.5862559E+00 (-1/4)Del**2(Rho)) -0.1465640E+00 Diamond 0.1169508E+01 Metallicity 0.4865648E+01 Ellipticity 0.6252551E-01 Gb(Abramov) 0.2165641E+00 Vb(Abramov) -0.2865642E+00 Hb(Abramov) -0.7000014E-01 Ex_ueg -0.5780209E-01 Ec_ueg -0.8313587E-02 Delta_ex -0.6275558E-01 Delta_ec 0.1493883E-01 Delta_et -0.1985164E+00 Pxc 0.6952726E+01 Qxc -0.4200837E+01 3,-1 134 3 +1 1.316223 2.124785 -1.123871 Rho 0.2657341E-01 |GRAD(Rho)| 0.2787359E-16 GRAD(Rho)x 0.6640930E-17 GRAD(Rho)y -0.1467687E-16 GRAD(Rho)z 0.2274697E-16 Laplacian 0.9858758E-01 (-1/4)Del**2(Rho)) -0.2464690E-01 Diamond 0.1281104E-01 Metallicity 0.1654004E+01 Ellipticity -0.3183520E+01 Gb(Abramov) 0.2322561E-01 Vb(Abramov) -0.2180432E-01 Hb(Abramov) 0.1421290E-02 Ex_ueg -0.5856634E-02 Ec_ueg -0.1168255E-02 Delta_ex -0.6111086E-02 Delta_ec 0.1456019E-02 Delta_et -0.1308554E-01 Pxc 0.5013149E+01 Qxc -0.4197121E+01 3,+1 135 3 +1 1.731803 1.742855 1.741667 Rho 0.1233837E-01 |GRAD(Rho)| 0.5292643E-16 GRAD(Rho)x 0.1000619E-16 GRAD(Rho)y 0.3124770E-16 GRAD(Rho)z -0.4152908E-16 Laplacian 0.6156910E-01 (-1/4)Del**2(Rho)) -0.1539227E-01 Diamond 0.2529250E-02 Metallicity 0.7373604E+00 Ellipticity -0.1254928E+01 Gb(Abramov) 0.1215313E-01 Vb(Abramov) -0.8913976E-02 Hb(Abramov) 0.3239149E-02 Ex_ueg -0.2105694E-02 Ec_ueg -0.4752116E-03 Delta_ex -0.3039298E-02 Delta_ec 0.7823856E-03 Delta_et -0.5919271E-02 Pxc 0.4431066E+01 Qxc -0.3884655E+01 3,+1 136 3 -1 0.859397 2.972921 -1.939135 Rho 0.1396592E+00 |GRAD(Rho)| 0.2921041E-15 GRAD(Rho)x 0.2617264E-15 GRAD(Rho)y 0.1091114E-15 GRAD(Rho)z 0.7013433E-16 Laplacian 0.5504496E+00 (-1/4)Del**2(Rho)) -0.1376124E+00 Diamond 0.1027727E+01 Metallicity 0.4706283E+01 Ellipticity 0.4335266E-01 Gb(Abramov) 0.1996821E+00 Vb(Abramov) -0.2617517E+00 Hb(Abramov) -0.6206968E-01 Ex_ueg -0.5351526E-01 Ec_ueg -0.7784874E-02 Delta_ex -0.5813245E-01 Delta_ec 0.1429110E-01 Delta_et -0.1884415E+00 Pxc 0.6874262E+01 Qxc -0.4067737E+01 3,-1 137 3 -1 2.891299 -2.014468 0.821191 Rho 0.8855557E-01 |GRAD(Rho)| 0.4579070E-15 GRAD(Rho)x 0.2607015E-15 GRAD(Rho)y -0.3184946E-15 GRAD(Rho)z 0.2006858E-15 Laplacian 0.3526607E+00 (-1/4)Del**2(Rho)) -0.8816517E-01 Diamond 0.3766081E+00 Metallicity 0.3437816E+01 Ellipticity 0.5046255E-02 Gb(Abramov) 0.1092927E+00 Vb(Abramov) -0.1304203E+00 Hb(Abramov) -0.2112754E-01 Ex_ueg -0.2915231E-01 Ec_ueg -0.4637172E-02 Delta_ex -0.3337376E-01 Delta_ec 0.1001994E-01 Delta_et -0.1213181E+00 Pxc 0.6286656E+01 Qxc -0.3330733E+01 3,-1 138 3 -1 2.965761 -0.876910 1.991723 Rho 0.1771938E+00 |GRAD(Rho)| 0.5684885E-15 GRAD(Rho)x -0.3383524E-15 GRAD(Rho)y 0.3755405E-15 GRAD(Rho)z 0.2601272E-15 Laplacian 0.6905031E+00 (-1/4)Del**2(Rho)) -0.1726258E+00 Diamond 0.1704844E+01 Metallicity 0.5578642E+01 Ellipticity 0.5642921E-01 Gb(Abramov) 0.2755867E+00 Vb(Abramov) -0.3785477E+00 Hb(Abramov) -0.1029610E+00 Ex_ueg -0.7350493E-01 Ec_ueg -0.1020648E-01 Delta_ex -0.7725287E-01 Delta_ec 0.1672809E-01 Delta_et -0.2271506E+00 Pxc 0.7201789E+01 Qxc -0.4618151E+01 3,-1 139 3 -1 -3.020662 -1.997874 -0.894923 Rho 0.1552441E+00 |GRAD(Rho)| 0.4164293E-15 GRAD(Rho)x 0.1762235E-15 GRAD(Rho)y -0.1764539E-15 GRAD(Rho)z 0.3335006E-15 Laplacian 0.6046556E+00 (-1/4)Del**2(Rho)) -0.1511639E+00 Diamond 0.1287340E+01 Metallicity 0.5110505E+01 Ellipticity 0.7637611E-01 Gb(Abramov) 0.2295299E+00 Vb(Abramov) -0.3078959E+00 Hb(Abramov) -0.7836600E-01 Ex_ueg -0.6162241E-01 Ec_ueg -0.8780055E-02 Delta_ex -0.6558512E-01 Delta_ec 0.1538670E-01 Delta_et -0.2062150E+00 Pxc 0.7018454E+01 Qxc -0.4262455E+01 3,-1 140 3 -1 -2.775313 -1.754710 0.566319 Rho 0.1403670E+00 |GRAD(Rho)| 0.3799381E-09 GRAD(Rho)x -0.8163265E-10 GRAD(Rho)y 0.2673947E-09 GRAD(Rho)z 0.2572724E-09 Laplacian 0.5876341E+00 (-1/4)Del**2(Rho)) -0.1469085E+00 Diamond 0.1101618E+01 Metallicity 0.4445779E+01 Ellipticity 0.1496138E-01 Gb(Abramov) 0.2067928E+00 Vb(Abramov) -0.2666771E+00 Hb(Abramov) -0.5988429E-01 Ex_ueg -0.5387720E-01 Ec_ueg -0.7829743E-02 Delta_ex -0.6211169E-01 Delta_ec 0.1519466E-01 Delta_et -0.2004200E+00 Pxc 0.6881094E+01 Qxc -0.4087731E+01 3,-1 141 3 -1 -2.928157 0.091110 0.126491 Rho 0.6142740E-02 |GRAD(Rho)| 0.1149406E-11 GRAD(Rho)x 0.8936334E-12 GRAD(Rho)y 0.4802930E-12 GRAD(Rho)z 0.5402528E-12 Laplacian 0.2500541E-01 (-1/4)Del**2(Rho)) -0.6251351E-02 Diamond 0.8423822E-03 Metallicity 0.5677836E+00 Ellipticity 0.4352017E+01 Gb(Abramov) 0.4759137E-02 Vb(Abramov) -0.3266922E-02 Hb(Abramov) 0.1492215E-02 Ex_ueg -0.8308729E-03 Ec_ueg -0.1964163E-03 Delta_ex -0.1346084E-02 Delta_ec 0.8796633E-03 Delta_et -0.5045020E-02 Pxc 0.4230164E+01 Qxc -0.1530226E+01 3,-1 142 3 -1 -1.983989 -3.075241 -0.745693 Rho 0.1489375E+00 |GRAD(Rho)| 0.4603047E-15 GRAD(Rho)x -0.3902992E-15 GRAD(Rho)y 0.1332756E-15 GRAD(Rho)z 0.2044128E-15 Laplacian 0.5559467E+00 (-1/4)Del**2(Rho)) -0.1389867E+00 Diamond 0.1144562E+01 Metallicity 0.5187045E+01 Ellipticity 0.1151058E+00 Gb(Abramov) 0.2128128E+00 Vb(Abramov) -0.2866389E+00 Hb(Abramov) -0.7382612E-01 Ex_ueg -0.5830740E-01 Ec_ueg -0.8375532E-02 Delta_ex -0.5987594E-01 Delta_ec 0.1462456E-01 Delta_et -0.1956162E+00 Pxc 0.6961636E+01 Qxc -0.4094205E+01 3,-1 143 3 -1 -0.079306 -3.178975 3.207206 Rho 0.2368286E+00 |GRAD(Rho)| 0.6206277E-08 GRAD(Rho)x -0.1209222E-08 GRAD(Rho)y -0.4220787E-08 GRAD(Rho)z 0.4386413E-08 Laplacian 0.8852195E+00 (-1/4)Del**2(Rho)) -0.2213049E+00 Diamond 0.3064296E+01 Metallicity 0.7056981E+01 Ellipticity 0.1967016E-02 Gb(Abramov) 0.4078273E+00 Vb(Abramov) -0.5943497E+00 Hb(Abramov) -0.1865224E+00 Ex_ueg -0.1082174E+00 Ec_ueg -0.1422016E-01 Delta_ex -0.1064911E+00 Delta_ec 0.1947027E-01 Delta_et -0.2688654E+00 Pxc 0.7610142E+01 Qxc -0.5469420E+01 3,-1 144 3 +1 1.307097 1.087521 -2.196192 Rho 0.2910314E-01 |GRAD(Rho)| 0.1477197E-14 GRAD(Rho)x -0.4678452E-15 GRAD(Rho)y -0.9014309E-15 GRAD(Rho)z -0.1072685E-14 Laplacian 0.1122024E+00 (-1/4)Del**2(Rho)) -0.2805060E-01 Diamond 0.1719118E-01 Metallicity 0.1691131E+01 Ellipticity -0.3802048E+01 Gb(Abramov) 0.2660661E-01 Vb(Abramov) -0.2516262E-01 Hb(Abramov) 0.1443991E-02 Ex_ueg -0.6611573E-02 Ec_ueg -0.1297439E-02 Delta_ex -0.7189015E-02 Delta_ec 0.1761371E-02 Delta_et -0.1614546E-01 Pxc 0.5095863E+01 Qxc -0.4081489E+01 3,+1 145 3 -1 -0.057969 3.152572 -3.137542 Rho 0.2365265E+00 |GRAD(Rho)| 0.1006590E-14 GRAD(Rho)x -0.2057003E-15 GRAD(Rho)y 0.7095019E-15 GRAD(Rho)z -0.6837521E-15 Laplacian 0.8898012E+00 (-1/4)Del**2(Rho)) -0.2224503E+00 Diamond 0.3071028E+01 Metallicity 0.7005726E+01 Ellipticity 0.1286762E-02 Gb(Abramov) 0.4080378E+00 Vb(Abramov) -0.5936254E+00 Hb(Abramov) -0.1855875E+00 Ex_ueg -0.1080334E+00 Ec_ueg -0.1419933E-01 Delta_ex -0.1069827E+00 Delta_ec 0.1953579E-01 Delta_et -0.2695720E+00 Pxc 0.7608346E+01 Qxc -0.5476241E+01 3,-1 146 3 -1 0.085603 3.182375 3.149349 Rho 0.2344163E+00 |GRAD(Rho)| 0.5837463E-08 GRAD(Rho)x -0.1137616E-08 GRAD(Rho)y -0.3972435E-08 GRAD(Rho)z -0.4123295E-08 Laplacian 0.8765810E+00 (-1/4)Del**2(Rho)) -0.2191453E+00 Diamond 0.2997828E+01 Metallicity 0.7005955E+01 Ellipticity 0.2377244E-02 Gb(Abramov) 0.4019838E+00 Vb(Abramov) -0.5848224E+00 Hb(Abramov) -0.1828386E+00 Ex_ueg -0.1067502E+00 Ec_ueg -0.1405398E-01 Delta_ex -0.1051738E+00 Delta_ec 0.1934445E-01 Delta_et -0.2670564E+00 Pxc 0.7595728E+01 Qxc -0.5436897E+01 3,-1 147 3 +3 -0.197785 -0.563972 -2.576471 Rho 0.3344377E-02 |GRAD(Rho)| 0.1662118E-15 GRAD(Rho)x -0.1609644E-15 GRAD(Rho)y -0.5675121E-19 GRAD(Rho)z -0.4143449E-16 Laplacian 0.1330140E-01 (-1/4)Del**2(Rho)) -0.3325351E-02 Diamond 0.1131229E-03 Metallicity 0.3874727E+00 Ellipticity -0.8182509E+00 Gb(Abramov) 0.2431647E-02 Vb(Abramov) -0.1537944E-02 Hb(Abramov) 0.8937031E-03 Ex_ueg -0.3693788E-03 Ec_ueg -0.7637550E-04 Delta_ex -0.5060393E-03 Delta_ec 0.2271296E-03 Delta_et -0.1172116E-02 Pxc 0.4836352E+01 Qxc -0.2227976E+01 3,+3 148 3 +1 -0.257612 -0.474817 -3.173427 Rho 0.3822727E-02 |GRAD(Rho)| 0.1709807E-14 GRAD(Rho)x -0.1682552E-14 GRAD(Rho)y 0.1894087E-15 GRAD(Rho)z -0.2378711E-15 Laplacian 0.1519387E-01 (-1/4)Del**2(Rho)) -0.3798469E-02 Diamond 0.2040316E-03 Metallicity 0.4238708E+00 Ellipticity -0.1566541E+01 Gb(Abramov) 0.2800656E-02 Vb(Abramov) -0.1802843E-02 Hb(Abramov) 0.9978129E-03 Ex_ueg -0.4414513E-03 Ec_ueg -0.9660715E-04 Delta_ex -0.6609122E-03 Delta_ec 0.3764215E-03 Delta_et -0.1927621E-02 Pxc 0.4569551E+01 Qxc -0.1755777E+01 3,+1 149 3 -1 1.649132 0.425459 -1.774683 Rho 0.4867087E-01 |GRAD(Rho)| 0.5822462E-16 GRAD(Rho)x 0.1949235E-16 GRAD(Rho)y 0.4210114E-16 GRAD(Rho)z 0.3518024E-16 Laplacian 0.1812530E+00 (-1/4)Del**2(Rho)) -0.4531324E-01 Diamond 0.8693763E-01 Metallicity 0.2466664E+01 Ellipticity 0.1446031E-01 Gb(Abramov) 0.4883758E-01 Vb(Abramov) -0.5236192E-01 Hb(Abramov) -0.3524340E-02 Ex_ueg -0.1312433E-01 Ec_ueg -0.2341537E-02 Delta_ex -0.1474534E-01 Delta_ec 0.5270889E-02 Delta_et -0.5515578E-01 Pxc 0.5605007E+01 Qxc -0.2797506E+01 3,-1 150 3 -1 -2.962824 -0.976200 -2.060522 Rho 0.1275286E+00 |GRAD(Rho)| 0.2011915E-15 GRAD(Rho)x 0.5888573E-16 GRAD(Rho)y 0.2917859E-16 GRAD(Rho)z -0.1901555E-15 Laplacian 0.4866360E+00 (-1/4)Del**2(Rho)) -0.1216590E+00 Diamond 0.8297608E+00 Metallicity 0.4575323E+01 Ellipticity 0.3515338E-01 Gb(Abramov) 0.1738775E+00 Vb(Abramov) -0.2260961E+00 Hb(Abramov) -0.5221854E-01 Ex_ueg -0.4740913E-01 Ec_ueg -0.7020949E-02 Delta_ex -0.5046422E-01 Delta_ec 0.1324725E-01 Delta_et -0.1727676E+00 Pxc 0.6752525E+01 Qxc -0.3809411E+01 3,-1 151 3 +1 -2.922609 0.156802 0.196640 Rho 0.6139104E-02 |GRAD(Rho)| 0.1290710E-16 GRAD(Rho)x -0.3347898E-18 GRAD(Rho)y 0.1271132E-16 GRAD(Rho)z -0.2214381E-17 Laplacian 0.2540668E-01 (-1/4)Del**2(Rho)) -0.6351671E-02 Diamond 0.7803766E-03 Metallicity 0.5582647E+00 Ellipticity -0.5287099E+01 Gb(Abramov) 0.4825433E-02 Vb(Abramov) -0.3299195E-02 Hb(Abramov) 0.1526238E-02 Ex_ueg -0.8302172E-03 Ec_ueg -0.1962577E-03 Delta_ex -0.1314672E-02 Delta_ec 0.7994062E-03 Delta_et -0.4617101E-02 Pxc 0.4230240E+01 Qxc -0.1644561E+01 3,+1 152 3 -1 -3.170871 0.045469 -3.148429 Rho 0.2266298E+00 |GRAD(Rho)| 0.1056060E-14 GRAD(Rho)x 0.8463282E-15 GRAD(Rho)y -0.2849554E-15 GRAD(Rho)z 0.5637309E-15 Laplacian 0.8569485E+00 (-1/4)Del**2(Rho)) -0.2142371E+00 Diamond 0.2816139E+01 Metallicity 0.6774130E+01 Ellipticity 0.2660917E-01 Gb(Abramov) 0.3847031E+00 Vb(Abramov) -0.5551691E+00 Hb(Abramov) -0.1704660E+00 Ex_ueg -0.1020488E+00 Ec_ueg -0.1351977E-01 Delta_ex -0.1019307E+00 Delta_ec 0.1912121E-01 Delta_et -0.2636991E+00 Pxc 0.7548115E+01 Qxc -0.5330764E+01 3,-1 153 3 -1 -3.164679 -0.040643 3.227760 Rho 0.2370106E+00 |GRAD(Rho)| 0.6384527E-14 GRAD(Rho)x -0.4973019E-14 GRAD(Rho)y -0.3981217E-14 GRAD(Rho)z -0.4256578E-15 Laplacian 0.8832449E+00 (-1/4)Del**2(Rho)) -0.2208112E+00 Diamond 0.3062672E+01 Metallicity 0.7081822E+01 Ellipticity 0.1050018E-02 Gb(Abramov) 0.4078318E+00 Vb(Abramov) -0.5948523E+00 Hb(Abramov) -0.1870205E+00 Ex_ueg -0.1083283E+00 Ec_ueg -0.1423271E-01 Delta_ex -0.1062878E+00 Delta_ec 0.1944545E-01 Delta_et -0.2686304E+00 Pxc 0.7611224E+01 Qxc -0.5465947E+01 3,-1 154 3 -1 -1.738119 -0.596665 -1.758170 Rho 0.6737385E-01 |GRAD(Rho)| 0.2363486E-14 GRAD(Rho)x 0.1396743E-14 GRAD(Rho)y -0.6356279E-15 GRAD(Rho)z 0.1797541E-14 Laplacian 0.2637747E+00 (-1/4)Del**2(Rho)) -0.6594366E-01 Diamond 0.1980240E+00 Metallicity 0.2914287E+01 Ellipticity 0.3025558E-01 Gb(Abramov) 0.7599224E-01 Vb(Abramov) -0.8604081E-01 Hb(Abramov) -0.1004857E-01 Ex_ueg -0.2024760E-01 Ec_ueg -0.3395640E-02 Delta_ex -0.2335038E-01 Delta_ec 0.7709823E-02 Delta_et -0.8763269E-01 Pxc 0.5962822E+01 Qxc -0.3028653E+01 3,-1 155 3 -1 -0.544596 2.746193 -1.749782 Rho 0.1411112E+00 |GRAD(Rho)| 0.9131778E-14 GRAD(Rho)x 0.5403948E-14 GRAD(Rho)y -0.2075827E-14 GRAD(Rho)z -0.7062412E-14 Laplacian 0.5928549E+00 (-1/4)Del**2(Rho)) -0.1482137E+00 Diamond 0.1115631E+01 Metallicity 0.4445634E+01 Ellipticity 0.1080937E-01 Gb(Abramov) 0.2086265E+00 Vb(Abramov) -0.2690393E+00 Hb(Abramov) -0.6041276E-01 Ex_ueg -0.5425839E-01 Ec_ueg -0.7876952E-02 Delta_ex -0.6271342E-01 Delta_ec 0.1525481E-01 Delta_et -0.2012575E+00 Pxc 0.6888247E+01 Qxc -0.4111058E+01 3,-1 156 3 -1 0.517885 1.654665 -1.708308 Rho 0.5609665E-01 |GRAD(Rho)| 0.1694467E-13 GRAD(Rho)x -0.3912686E-14 GRAD(Rho)y 0.1287982E-13 GRAD(Rho)z -0.1029189E-13 Laplacian 0.2154674E+00 (-1/4)Del**2(Rho)) -0.5386684E-01 Diamond 0.1245865E+00 Metallicity 0.2629016E+01 Ellipticity 0.7700854E-02 Gb(Abramov) 0.5951402E-01 Vb(Abramov) -0.6516121E-01 Hb(Abramov) -0.5647183E-02 Ex_ueg -0.1585992E-01 Ec_ueg -0.2754546E-02 Delta_ex -0.1814336E-01 Delta_ec 0.6207699E-02 Delta_et -0.6735572E-01 Pxc 0.5757725E+01 Qxc -0.2922719E+01 3,-1 157 3 -1 0.563202 2.770293 1.759135 Rho 0.1615072E+00 |GRAD(Rho)| 0.6039796E-15 GRAD(Rho)x 0.1131636E-15 GRAD(Rho)y -0.5673088E-16 GRAD(Rho)z 0.5905649E-15 Laplacian 0.6734328E+00 (-1/4)Del**2(Rho)) -0.1683582E+00 Diamond 0.1491658E+01 Metallicity 0.4901234E+01 Ellipticity 0.1996751E-01 Gb(Abramov) 0.2497660E+00 Vb(Abramov) -0.3311737E+00 Hb(Abramov) -0.8140777E-01 Ex_ueg -0.6495925E-01 Ec_ueg -0.9184165E-02 Delta_ex -0.7365523E-01 Delta_ec 0.1677640E-01 Delta_et -0.2255375E+00 Pxc 0.7072961E+01 Qxc -0.4390408E+01 3,-1 158 3 -1 0.540662 1.776659 2.730806 Rho 0.1454050E+00 |GRAD(Rho)| 0.2515371E-15 GRAD(Rho)x -0.2084514E-15 GRAD(Rho)y 0.1127570E-15 GRAD(Rho)z 0.8428994E-16 Laplacian 0.6086125E+00 (-1/4)Del**2(Rho)) -0.1521531E+00 Diamond 0.1190025E+01 Metallicity 0.4552374E+01 Ellipticity 0.1183043E-01 Gb(Abramov) 0.2168784E+00 Vb(Abramov) -0.2816037E+00 Hb(Abramov) -0.6472528E-01 Ex_ueg -0.5647084E-01 Ec_ueg -0.8150020E-02 Delta_ex -0.6488216E-01 Delta_ec 0.1559659E-01 Delta_et -0.2067857E+00 Pxc 0.6928920E+01 Qxc -0.4160023E+01 3,-1 159 3 -1 2.913409 -0.011743 0.032697 Rho 0.5249567E-02 |GRAD(Rho)| 0.4524495E-13 GRAD(Rho)x -0.1378136E-13 GRAD(Rho)y -0.4272526E-13 GRAD(Rho)z 0.5633090E-14 Laplacian 0.2121405E-01 (-1/4)Del**2(Rho)) -0.5303514E-02 Diamond 0.6061685E-03 Metallicity 0.5150649E+00 Ellipticity 0.5149769E+01 Gb(Abramov) 0.3990951E-02 Vb(Abramov) -0.2678389E-02 Hb(Abramov) 0.1312562E-02 Ex_ueg -0.6738290E-03 Ec_ueg -0.1576684E-03 Delta_ex -0.1132587E-02 Delta_ec 0.7891558E-03 Delta_et -0.4300198E-02 Pxc 0.4273709E+01 Qxc -0.1435188E+01 3,-1 160 3 -1 3.164379 0.036435 3.189125 Rho 0.2367282E+00 |GRAD(Rho)| 0.2655474E-15 GRAD(Rho)x -0.2162983E-16 GRAD(Rho)y 0.1081492E-15 GRAD(Rho)z -0.2415602E-15 Laplacian 0.8702865E+00 (-1/4)Del**2(Rho)) -0.2175716E+00 Diamond 0.3023717E+01 Metallicity 0.7173002E+01 Ellipticity 0.5776686E-02 Gb(Abramov) 0.4051547E+00 Vb(Abramov) -0.5927378E+00 Hb(Abramov) -0.1875831E+00 Ex_ueg -0.1081563E+00 Ec_ueg -0.1421324E-01 Delta_ex -0.1047517E+00 Delta_ec 0.1926666E-01 Delta_et -0.2665856E+00 Pxc 0.7609546E+01 Qxc -0.5436939E+01 3,-1 161 3 -1 -1.795474 -1.665810 -0.530019 Rho 0.6503898E-01 |GRAD(Rho)| 0.1697642E-15 GRAD(Rho)x 0.9929852E-16 GRAD(Rho)y 0.1305888E-15 GRAD(Rho)z -0.4366074E-16 Laplacian 0.2532205E+00 (-1/4)Del**2(Rho)) -0.6330512E-01 Diamond 0.1796979E+00 Metallicity 0.2862445E+01 Ellipticity 0.1656082E-01 Gb(Abramov) 0.7240465E-01 Vb(Abramov) -0.8150419E-01 Hb(Abramov) -0.9099531E-02 Ex_ueg -0.1931746E-01 Ec_ueg -0.3261648E-02 Delta_ex -0.2216775E-01 Delta_ec 0.7322133E-02 Delta_et -0.8245956E-01 Pxc 0.5922607E+01 Qxc -0.3027499E+01 3,-1 162 3 -1 1.819636 -0.636458 -2.997243 Rho 0.2370107E+00 |GRAD(Rho)| 0.2931508E-15 GRAD(Rho)x -0.5963112E-17 GRAD(Rho)y -0.2928430E-15 GRAD(Rho)z 0.1203464E-16 Laplacian 0.9072139E+00 (-1/4)Del**2(Rho)) -0.2268035E+00 Diamond 0.3132529E+01 Metallicity 0.6894719E+01 Ellipticity 0.1214638E-01 Gb(Abramov) 0.4118267E+00 Vb(Abramov) -0.5968499E+00 Hb(Abramov) -0.1850232E+00 Ex_ueg -0.1083284E+00 Ec_ueg -0.1423271E-01 Delta_ex -0.1091004E+00 Delta_ec 0.1984503E-01 Delta_et -0.2735898E+00 Pxc 0.7611224E+01 Qxc -0.5497618E+01 3,-1 163 3 -1 1.953214 -0.865051 3.005816 Rho 0.1407013E+00 |GRAD(Rho)| 0.3144272E-15 GRAD(Rho)x -0.1996287E-16 GRAD(Rho)y 0.2722974E-15 GRAD(Rho)z -0.1559489E-15 Laplacian 0.5537114E+00 (-1/4)Del**2(Rho)) -0.1384278E+00 Diamond 0.1046559E+01 Metallicity 0.4736889E+01 Ellipticity 0.3433177E-01 Gb(Abramov) 0.2015715E+00 Vb(Abramov) -0.2647151E+00 Hb(Abramov) -0.6314360E-01 Ex_ueg -0.5404836E-01 Ec_ueg -0.7850946E-02 Delta_ex -0.5862042E-01 Delta_ec 0.1441701E-01 Delta_et -0.1904565E+00 Pxc 0.6884312E+01 Qxc -0.4066060E+01 3,-1 164 3 -1 3.110792 -3.210494 -0.087775 Rho 0.2306597E+00 |GRAD(Rho)| 0.4622312E-15 GRAD(Rho)x 0.2467644E-15 GRAD(Rho)y -0.3907465E-15 GRAD(Rho)z 0.9066641E-17 Laplacian 0.8606257E+00 (-1/4)Del**2(Rho)) -0.2151564E+00 Diamond 0.2892873E+01 Metallicity 0.6946272E+01 Ellipticity 0.1583081E-01 Gb(Abramov) 0.3925268E+00 Vb(Abramov) -0.5698972E+00 Hb(Abramov) -0.1773704E+00 Ex_ueg -0.1044754E+00 Ec_ueg -0.1379584E-01 Delta_ex -0.1028609E+00 Delta_ec 0.1914544E-01 Delta_et -0.2644087E+00 Pxc 0.7572966E+01 Qxc -0.5372604E+01 3,-1 165 3 -1 2.672869 -1.833229 -0.601430 Rho 0.1444309E+00 |GRAD(Rho)| 0.4759493E-13 GRAD(Rho)x -0.2741575E-13 GRAD(Rho)y 0.2570256E-13 GRAD(Rho)z -0.2920673E-13 Laplacian 0.5965871E+00 (-1/4)Del**2(Rho)) -0.1491468E+00 Diamond 0.1163130E+01 Metallicity 0.4592399E+01 Ellipticity 0.8269984E-02 Gb(Abramov) 0.2135881E+00 Vb(Abramov) -0.2780294E+00 Hb(Abramov) -0.6444131E-01 Ex_ueg -0.5596699E-01 Ec_ueg -0.8087971E-02 Delta_ex -0.6355854E-01 Delta_ec 0.1542590E-01 Delta_et -0.2045671E+00 Pxc 0.6919781E+01 Qxc -0.4120249E+01 3,-1 166 3 -1 3.219693 3.170405 0.053245 Rho 0.2364614E+00 |GRAD(Rho)| 0.1062324E-14 GRAD(Rho)x -0.7404559E-15 GRAD(Rho)y -0.7175250E-15 GRAD(Rho)z -0.2557633E-15 Laplacian 0.8683772E+00 (-1/4)Del**2(Rho)) -0.2170943E+00 Diamond 0.3013648E+01 Metallicity 0.7175276E+01 Ellipticity 0.5624603E-02 Gb(Abramov) 0.4043481E+00 Vb(Abramov) -0.5916020E+00 Hb(Abramov) -0.1872538E+00 Ex_ueg -0.1079938E+00 Ec_ueg -0.1419485E-01 Delta_ex -0.1044947E+00 Delta_ec 0.1923715E-01 Delta_et -0.2661937E+00 Pxc 0.7607959E+01 Qxc -0.5431922E+01 3,-1 167 3 -1 -0.582145 -2.755671 1.828802 Rho 0.1559330E+00 |GRAD(Rho)| 0.3681180E-15 GRAD(Rho)x 0.1382358E-16 GRAD(Rho)y -0.2157224E-15 GRAD(Rho)z -0.2979659E-15 Laplacian 0.6559161E+00 (-1/4)Del**2(Rho)) -0.1639790E+00 Diamond 0.1391166E+01 Metallicity 0.4746004E+01 Ellipticity 0.2641555E-01 Gb(Abramov) 0.2390269E+00 Vb(Abramov) -0.3140747E+00 Hb(Abramov) -0.7504786E-01 Ex_ueg -0.6198725E-01 Ec_ueg -0.8824385E-02 Delta_ex -0.7110220E-01 Delta_ec 0.1645726E-01 Delta_et -0.2201758E+00 Pxc 0.7024540E+01 Qxc -0.4320416E+01 3,-1 168 3 -1 0.338790 0.340732 -0.434157 Rho 0.1363562E+00 |GRAD(Rho)| 0.6337301E-14 GRAD(Rho)x -0.4437213E-14 GRAD(Rho)y -0.3563928E-14 GRAD(Rho)z 0.2787643E-14 Laplacian 0.7064242E+00 (-1/4)Del**2(Rho)) -0.1766060E+00 Diamond 0.1539550E+01 Metallicity 0.3523753E+01 Ellipticity 0.2390212E-02 Gb(Abramov) 0.2214567E+00 Vb(Abramov) -0.2663074E+00 Hb(Abramov) -0.4485067E-01 Ex_ueg -0.5183439E-01 Ec_ueg -0.7575917E-02 Delta_ex -0.7709089E-01 Delta_ec 0.2365771E-01 Delta_et -0.3211823E+00 Pxc 0.6841996E+01 Qxc -0.3258594E+01 3,-1 169 3 -1 -0.505878 -0.404798 -0.413134 Rho 0.1432210E+00 |GRAD(Rho)| 0.3840789E-12 GRAD(Rho)x 0.2713927E-12 GRAD(Rho)y 0.2285863E-12 GRAD(Rho)z 0.1470066E-12 Laplacian 0.7727862E+00 (-1/4)Del**2(Rho)) -0.1931966E+00 Diamond 0.1784278E+01 Metallicity 0.3495948E+01 Ellipticity 0.3326476E-01 Gb(Abramov) 0.2413652E+00 Vb(Abramov) -0.2895339E+00 Hb(Abramov) -0.4816868E-01 Ex_ueg -0.5534275E-01 Ec_ueg -0.8010983E-02 Delta_ex -0.8526335E-01 Delta_ec 0.2556111E-01 Delta_et -0.3503736E+00 Pxc 0.6908359E+01 Qxc -0.3335667E+01 3,-1 170 3 -1 2.694064 -0.629612 -1.826836 Rho 0.1397036E+00 |GRAD(Rho)| 0.2044562E-15 GRAD(Rho)x 0.4440486E-16 GRAD(Rho)y 0.6288373E-16 GRAD(Rho)z -0.1894101E-15 Laplacian 0.5757637E+00 (-1/4)Del**2(Rho)) -0.1439409E+00 Diamond 0.1082336E+01 Metallicity 0.4501755E+01 Ellipticity 0.5029453E-02 Gb(Abramov) 0.2039584E+00 Vb(Abramov) -0.2639759E+00 Hb(Abramov) -0.6001747E-01 Ex_ueg -0.5353799E-01 Ec_ueg -0.7787693E-02 Delta_ex -0.6088650E-01 Delta_ec 0.1508275E-01 Delta_et -0.1991699E+00 Pxc 0.6874692E+01 Qxc -0.4036829E+01 3,-1 171 3 -1 -2.989368 0.877282 2.034357 Rho 0.1442692E+00 |GRAD(Rho)| 0.1609868E-15 GRAD(Rho)x -0.6277531E-16 GRAD(Rho)y -0.1169583E-15 GRAD(Rho)z -0.9108654E-16 Laplacian 0.5712348E+00 (-1/4)Del**2(Rho)) -0.1428087E+00 Diamond 0.1107050E+01 Metallicity 0.4787267E+01 Ellipticity 0.5004635E-01 Gb(Abramov) 0.2091497E+00 Vb(Abramov) -0.2754907E+00 Hb(Abramov) -0.6634100E-01 Ex_ueg -0.5588343E-01 Ec_ueg -0.8077673E-02 Delta_ex -0.6078688E-01 Delta_ec 0.1467787E-01 Delta_et -0.1944066E+00 Pxc 0.6918259E+01 Qxc -0.4141396E+01 3,-1 172 3 -1 -0.764494 -3.444571 -1.301343 Rho 0.3092914E+00 |GRAD(Rho)| 0.2462712E-15 GRAD(Rho)x -0.7365799E-17 GRAD(Rho)y 0.2432127E-15 GRAD(Rho)z 0.3798460E-16 Laplacian -0.1585040E+01 (-1/4)Del**2(Rho)) 0.3962600E+00 Diamond 0.5359494E+01 Metallicity -0.6149683E+01 Ellipticity 0.2174937E-02 Gb(Abramov) 0.1419722E+00 Vb(Abramov) -0.6802045E+00 Hb(Abramov) -0.5382322E+00 Ex_ueg -0.1544812E+00 Ec_ueg -0.1936072E-01 Delta_ex 0.1555857E+00 Delta_ec 0.5558847E-01 Delta_et -0.1300177E+01 Pxc 0.7979104E+01 Qxc 0.2798883E+01 3,-1 173 3 -1 -0.432263 0.368509 0.375575 Rho 0.1348534E+00 |GRAD(Rho)| 0.2341271E-15 GRAD(Rho)x -0.3775994E-16 GRAD(Rho)y 0.1952191E-15 GRAD(Rho)z 0.1236090E-15 Laplacian 0.6975203E+00 (-1/4)Del**2(Rho)) -0.1743801E+00 Diamond 0.1498704E+01 Metallicity 0.3503427E+01 Ellipticity 0.3883611E-02 Gb(Abramov) 0.2180747E+00 Vb(Abramov) -0.2617693E+00 Hb(Abramov) -0.4369461E-01 Ex_ueg -0.5107415E-01 Ec_ueg -0.7481085E-02 Delta_ex -0.7591178E-01 Delta_ec 0.2338834E-01 Delta_et -0.3167701E+00 Pxc 0.6827104E+01 Qxc -0.3245710E+01 3,-1 174 3 -1 1.954167 0.819394 -3.020416 Rho 0.1295412E+00 |GRAD(Rho)| 0.3311752E-15 GRAD(Rho)x 0.2416077E-15 GRAD(Rho)y -0.9134403E-16 GRAD(Rho)z 0.2072656E-15 Laplacian 0.4989060E+00 (-1/4)Del**2(Rho)) -0.1247265E+00 Diamond 0.8615117E+00 Metallicity 0.4580798E+01 Ellipticity 0.2836599E-01 Gb(Abramov) 0.1783755E+00 Vb(Abramov) -0.2320245E+00 Hb(Abramov) -0.5364898E-01 Ex_ueg -0.4840933E-01 Ec_ueg -0.7147024E-02 Delta_ex -0.5186608E-01 Delta_ec 0.1341617E-01 Delta_et -0.1752310E+00 Pxc 0.6773355E+01 Qxc -0.3865937E+01 3,-1 175 3 -1 3.188034 -0.096629 -3.190963 Rho 0.2289734E+00 |GRAD(Rho)| 0.7957237E-15 GRAD(Rho)x -0.5138034E-15 GRAD(Rho)y 0.7305490E-16 GRAD(Rho)z 0.6031959E-15 Laplacian 0.8482833E+00 (-1/4)Del**2(Rho)) -0.2120708E+00 Diamond 0.2833621E+01 Metallicity 0.6961680E+01 Ellipticity 0.2084609E-01 Gb(Abramov) 0.3874421E+00 Vb(Abramov) -0.5628133E+00 Hb(Abramov) -0.1753713E+00 Ex_ueg -0.1034583E+00 Ec_ueg -0.1368021E-01 Delta_ex -0.1012338E+00 Delta_ec 0.1898511E-01 Delta_et -0.2624191E+00 Pxc 0.7562623E+01 Qxc -0.5332276E+01 3,-1 176 3 -1 2.763906 0.547712 1.804816 Rho 0.1398975E+00 |GRAD(Rho)| 0.8788299E-12 GRAD(Rho)x -0.1222932E-12 GRAD(Rho)y -0.5993563E-12 GRAD(Rho)z 0.6309980E-12 Laplacian 0.5915729E+00 (-1/4)Del**2(Rho)) -0.1478932E+00 Diamond 0.1109037E+01 Metallicity 0.4391588E+01 Ellipticity 0.1324169E-01 Gb(Abramov) 0.2068432E+00 Vb(Abramov) -0.2657931E+00 Hb(Abramov) -0.5894993E-01 Ex_ueg -0.5363707E-01 Ec_ueg -0.7799979E-02 Delta_ex -0.6252611E-01 Delta_ec 0.1539661E-01 Delta_et -0.2031629E+00 Pxc 0.6876566E+01 Qxc -0.4061031E+01 3,-1 177 3 -1 0.323852 -0.444903 0.350501 Rho 0.1366616E+00 |GRAD(Rho)| 0.1471146E-13 GRAD(Rho)x -0.7493579E-14 GRAD(Rho)y 0.7700651E-14 GRAD(Rho)z -0.1004854E-13 Laplacian 0.7098067E+00 (-1/4)Del**2(Rho)) -0.1774517E+00 Diamond 0.1552409E+01 Metallicity 0.3520065E+01 Ellipticity 0.4480467E-02 Gb(Abramov) 0.2224080E+00 Vb(Abramov) -0.2673644E+00 Hb(Abramov) -0.4495635E-01 Ex_ueg -0.5198928E-01 Ec_ueg -0.7595213E-02 Delta_ex -0.7751451E-01 Delta_ec 0.2378607E-01 Delta_et -0.3231126E+00 Pxc 0.6845007E+01 Qxc -0.3258820E+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 81 75 167 82 88 143 177 169 168 173 156 126 155 133 136 145 128 158 157 130 125 146 65 165 91 137 92 164 95 105 97 104 96 166 107 110 122 111 108 109 161 140 67 139 142 54 154 62 112 150 55 152 113 63 53 171 116 153 94 176 132 138 163 160 149 170 162 100 174 175 141 159 68 76 60 123 131 172 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 17 18 21 21 22 25 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 19 20 28 36 24 27 52 52 2.367895 1.956555 1.897821 1.951492 1.915033 1.748056 1.660013 1.638983 1.661077 1.664958 2.335766 1.919278 1.937322 1.929617 1.952361 1.748499 2.355608 1.926630 1.884958 2.000964 1.914867 1.752044 2.360779 1.927874 1.773809 2.137430 1.999799 1.758438 2.467085 1.929528 2.007364 1.835145 1.949234 1.749022 2.371610 1.814426 1.941241 1.969708 2.028182 1.755500 2.269327 1.939705 1.986575 1.912220 1.935202 1.749626 2.249314 2.214609 1.950852 1.990581 1.754227 1.765262 2.381080 1.950161 1.918726 1.939813 1.917059 1.747855 2.455450 1.938779 1.964736 1.860692 1.949105 1.748575 2.395093 1.940725 1.748262 2.201436 1.983527 1.761443 3.200536 3.284513 3.062981 3.123988 3.183637 3.190238 1.720999 1.006227 2.368602 1.956916 1.898258 1.952059 1.915540 1.748065 1.660024 1.639055 1.661083 1.664967 2.336464 1.919685 1.937798 1.930184 1.952924 1.748509 2.356238 1.927047 1.885328 2.001486 1.915377 1.752055 2.361427 1.928255 1.773901 2.137905 2.000339 1.758454 2.467689 1.929974 2.007736 1.835474 1.949776 1.749033 2.372152 1.814773 1.941573 1.970199 2.028657 1.755514 2.270162 1.940149 1.986966 1.912739 1.936316 1.749648 2.250159 2.214976 1.951217 1.991124 1.754232 1.765292 2.381780 1.950604 1.919137 1.940332 1.917581 1.747863 2.456067 1.939150 1.965165 1.861108 1.949629 1.748589 2.395788 1.941074 1.748282 2.201927 1.984057 1.761464 3.216302 3.288000 3.077164 3.126555 3.187583 3.194343 1.723266 1.006340 29 26 23 28 23 23 21 20 21 21 27 28 24 24 25 22 27 29 27 25 27 25 29 23 22 25 23 23 29 25 25 23 27 21 27 22 25 23 25 23 27 23 27 23 28 22 27 28 23 24 21 23 27 27 23 23 25 22 29 23 24 22 25 25 27 23 23 25 23 23 35 35 33 33 35 35 24 20 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 W Si W W W W W W W W W W 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 2.4535 2.4288 2.4493 2.4687 2.3775 2.4297 2.4324 2.4626 2.3929 2.4510 2.4398 2.3396 -1.1640 -1.1203 -1.1630 -1.1661 -0.9626 -0.9921 -0.9174 -0.9738 -0.7726 -0.9677 -0.9814 -0.9619 -0.9689 -0.9652 -0.9635 -0.8370 -0.9651 -0.9952 -0.9486 -0.9843 -0.9815 -0.9899 -0.9786 -0.8083 -0.8108 -0.9878 -0.9847 -0.9805 -0.8188 -0.8554 -0.8168 -0.8314 -0.8466 -0.8265 -0.8406 -0.8141 -0.8550 -0.8190 -0.8251 0.3163 2.0997 2.3118 2.1056 2.0955 2.1306 2.1077 2.1052 2.1212 2.1350 2.1006 2.1045 2.1382 1.8963 1.8970 1.8971 1.8949 1.9315 1.9305 1.9435 1.9299 1.9674 1.9310 1.9295 1.9313 1.9307 1.9306 1.9325 1.9602 1.9435 1.9404 1.9460 1.9404 1.9395 1.9399 1.9406 1.9563 1.8758 1.9406 1.9402 1.9394 1.9607 1.9552 1.9609 1.9581 1.9565 1.9597 1.9576 1.9600 1.9533 1.9606 1.9599 0.5292 6.0978 6.6734 6.1020 6.0894 6.1133 6.1000 6.0974 6.0994 6.0937 6.0981 6.0996 6.1175 5.2394 5.1954 5.2377 5.2421 5.0019 5.0316 4.9428 5.0139 4.7694 5.0077 5.0222 5.0006 5.0083 5.0040 5.0012 4.8438 4.9915 5.0219 4.9717 5.0120 5.0100 5.0181 5.0064 4.8190 4.9048 5.0170 5.0124 5.0091 4.8243 4.8683 4.8221 4.8401 4.8579 4.8331 4.8503 4.8206 4.8704 4.8244 4.8314 0.1546 3.3187 0.5861 3.3130 3.3162 3.3495 3.3329 3.3351 3.2869 3.3495 3.3203 3.3262 3.3761 0.0283 0.0279 0.0282 0.0292 0.0292 0.0300 0.0311 0.0300 0.0358 0.0290 0.0297 0.0300 0.0298 0.0306 0.0298 0.0330 0.0302 0.0329 0.0308 0.0319 0.0320 0.0319 0.0317 0.0331 0.0302 0.0302 0.0321 0.0320 0.0339 0.0318 0.0338 0.0332 0.0322 0.0338 0.0327 0.0335 0.0313 0.0339 0.0338 0.0000 14.0302 0.0000 14.0302 14.0302 14.0291 14.0297 14.0299 14.0300 14.0289 14.0300 14.0298 14.0286 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 W Si W W W W W W W W W W 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 2.513884 1.774269 2.517892 2.511105 2.482559 2.501973 2.496113 2.536966 2.499440 2.511430 2.505947 2.467085 -1.064002 -1.020898 -1.062249 -1.068087 -0.969469 -0.984838 -0.946455 -0.974725 -0.835072 -0.979669 -0.972035 -0.969472 -0.976156 -0.966325 -0.972710 -0.804744 -0.967476 -0.963946 -0.959861 -0.971041 -0.969908 -0.972143 -0.969143 -0.857764 -0.635664 -0.979829 -0.970189 -0.969070 -0.857998 -0.904836 -0.855961 -0.875550 -0.894946 -0.867835 -0.886575 -0.852789 -0.902958 -0.858812 -0.866322 0.058857 1.929484 1.372947 1.933994 1.928260 1.912610 1.929582 1.919610 1.957276 1.946092 1.929683 1.928169 1.927238 -0.735932 -0.717098 -0.736472 -0.737549 -0.719269 -0.727150 -0.739086 -0.724721 -0.723985 -0.730214 -0.713917 -0.727785 -0.726463 -0.718951 -0.736950 -0.672395 -0.819696 -0.789765 -0.818244 -0.804861 -0.799953 -0.802700 -0.810037 -0.765800 -0.816841 -0.823370 -0.803190 -0.799601 -0.769288 -0.824732 -0.768553 -0.788173 -0.812066 -0.777707 -0.798410 -0.755721 -0.829737 -0.769611 -0.777983 0.299032 2.034051 1.318096 2.040083 2.032956 2.003129 2.030990 2.019995 2.064263 2.035572 2.034587 2.033341 2.011363 -0.794705 -0.786837 -0.797591 -0.799244 -0.807752 -0.807726 -0.792639 -0.812686 -0.733498 -0.810847 -0.808356 -0.800327 -0.802660 -0.824825 -0.812329 -0.739816 -0.845962 -0.818421 -0.836693 -0.842702 -0.831313 -0.847665 -0.838054 -0.752691 -0.823598 -0.856910 -0.842589 -0.829523 -0.732349 -0.797412 -0.733702 -0.755470 -0.779360 -0.746501 -0.764804 -0.735506 -0.813294 -0.734996 -0.745779 0.378703 0.31183936 -1.81915771 1.55141652 2.41111422 -18.25607592 4.93338405 -3.81937769 14.70495395 8.40317945 3.55112198 -385.8862 407.6759 -17.7523 -410.3179 -58.4870 -464.7675 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 0 Mar06-2024 11:22:24 Nodes: 1 Procs: 1 Mar06-2024 11:22:25 Nodes: 1 Procs: 1 Silicon (TZP, 1s frozen) 0 Mar06-2024 11:22:25 Nodes: 1 Procs: 1 Mar06-2024 11:22:26 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Mar06-2024 11:22:26 Nodes: 1 Procs: 1 Mar06-2024 11:22:27 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Mar06-2024 11:22:29 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -17.03380365 -17.06197934 -17.07082057 -17.07436508 -17.07783231 -17.07849205 -17.07896348 -17.07911755 -17.07922992 -17.07958616 -17.07964973 -17.07977879 -17.07982453 -17.07987673 -17.07989146 GEOMETRY CONVERGED