ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 08:52:57 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.74 0.04 0.82 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo 0.0000 3.0000 6.0000 5.0000 0.0000 Apr08-2024 08:52:57 Nodes: 1 Procs: 1 Apr08-2024 08:52:58 Nodes: 1 Procs: 1 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 08:52:59 Molybdenum (TZP, 3d frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.59 0.03 0.65 1 2 3 4 5 1 2 3 4 5 1 2.000 2.000 0.000 0.000 0.000 6.000 3.000 0.000 0.000 0.000 0.000 -173.942 -13.975 3.091 35.970 283.822 -124.292 -5.506 2.188 19.487 259.576 10.422 S S S S S P P P P P D S P S P P S D P S P S 1 1 2 2 3 3 1 4 4 5 5 2.00 6.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -173.9416 -124.2916 -13.9750 -5.5063 2.1878 3.0913 10.4217 19.4867 35.9696 259.5761 283.8222 1 P -0.0000 4.0000 9.0000 0.0000 0.0000 Apr08-2024 08:52:57 Nodes: 1 Procs: 1 Apr08-2024 08:52:58 Nodes: 1 Procs: 1 0 Apr08-2024 08:52:59 Nodes: 1 Procs: 1 Apr08-2024 08:52:59 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 08:53:00 Molybdenum (TZP, 3d 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 Apr08-2024 08:52:57 Nodes: 1 Procs: 1 Apr08-2024 08:52:58 Nodes: 1 Procs: 1 0 Apr08-2024 08:52:59 Nodes: 1 Procs: 1 Apr08-2024 08:52:59 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr08-2024 08:53:00 Nodes: 1 Procs: 1 Apr08-2024 08:53:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 08:53:01 Molybdenum (TZP, 3d frozen) kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 kimik2198 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.32 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 Apr08-2024 08:52:57 Nodes: 1 Procs: 1 Apr08-2024 08:52:58 Nodes: 1 Procs: 1 0 Apr08-2024 08:52:59 Nodes: 1 Procs: 1 Apr08-2024 08:52:59 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr08-2024 08:53:00 Nodes: 1 Procs: 1 Apr08-2024 08:53:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr08-2024 08:53:01 Nodes: 1 Procs: 1 Apr08-2024 08:53:02 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 2019-04-25 x86_64_linux_intel / intelmpi Apr08-2024 08:53:04 Molybdenum (TZP, 3d frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2413.490361000002 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019 Apr08-2024 08:53:02 1 1 Tungsten TZP 4d t21.P ADF 2019 Apr08-2024 08:52:59 1 1 Phosphorus TZP 1s t21.Mo ADF 2019 Apr08-2024 08:52:58 1 1 Molybdenum TZP 3d t21.O ADF 2019 Apr08-2024 08:53:00 1 1 Oxygen TZP 1s 1 1 -16.01603044 0.36148112 0.00100000 F 0.10868538 0.00066667 F 0.36148112 0.10868538 0.19247858 0.01000000 F 0.05662283 0.00666667 F Cartesian 2413.490361000002 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3,-3 49 3 -3 -3.860012 -2.299864 -2.801544 Rho 0.3192249E+03 3,-3 50 3 -3 -3.762142 2.537185 2.815973 Rho 0.3193809E+03 3,-3 51 3 -3 3.754744 2.859283 2.547348 Rho 0.3192688E+03 3,-3 52 3 +3 -0.191177 -2.267895 1.493204 Rho 0.2793238E-02 |GRAD(Rho)| 0.2190739E-14 GRAD(Rho)x -0.1829915E-14 GRAD(Rho)y -0.1199735E-14 GRAD(Rho)z 0.1066894E-15 Laplacian 0.1114562E-01 (-1/4)Del**2(Rho)) -0.2786406E-02 Diamond 0.7626748E-04 Metallicity 0.3425221E+00 Ellipticity -0.6201689E+00 Gb(Abramov) 0.2016672E-02 Vb(Abramov) -0.1246937E-02 Hb(Abramov) 0.7697344E-03 Ex_ueg -0.2905331E-03 Ec_ueg -0.5321911E-04 Delta_ex -0.4115419E-03 Delta_ec 0.1970470E-03 Delta_et -0.9613708E-03 Pxc 0.5459188E+01 Qxc -0.2088547E+01 3,+3 53 3 +1 -2.983478 -0.340977 0.014093 Rho 0.5267196E-02 |GRAD(Rho)| 0.2323233E-14 GRAD(Rho)x -0.2139018E-14 GRAD(Rho)y 0.9066499E-15 GRAD(Rho)z -0.1107539E-17 Laplacian 0.2140467E-01 (-1/4)Del**2(Rho)) -0.5351168E-02 Diamond 0.3878002E-03 Metallicity 0.5133383E+00 Ellipticity -0.1472228E+01 Gb(Abramov) 0.4025272E-02 Vb(Abramov) -0.2699376E-02 Hb(Abramov) 0.1325896E-02 Ex_ueg -0.6768478E-03 Ec_ueg -0.1584294E-03 Delta_ex -0.9471834E-03 Delta_ec 0.4458043E-03 Delta_et -0.2550926E-02 Pxc 0.4272236E+01 Qxc -0.2124662E+01 3,+1 54 3 -1 -2.989372 2.048882 -0.792784 Rho 0.1416825E+00 |GRAD(Rho)| 0.3278814E-13 GRAD(Rho)x -0.2299350E-13 GRAD(Rho)y -0.2065175E-13 GRAD(Rho)z 0.1094835E-13 Laplacian 0.5580329E+00 (-1/4)Del**2(Rho)) -0.1395082E+00 Diamond 0.1062023E+01 Metallicity 0.4754960E+01 Ellipticity 0.3958461E-01 Gb(Abramov) 0.2035648E+00 Vb(Abramov) -0.2676214E+00 Hb(Abramov) -0.6405659E-01 Ex_ueg -0.5455148E-01 Ec_ueg -0.7913216E-02 Delta_ex -0.5916129E-01 Delta_ec 0.1447534E-01 Delta_et -0.1913663E+00 Pxc 0.6893717E+01 Qxc -0.4087040E+01 3,-1 55 3 +1 -1.730429 -0.023733 -0.746108 Rho 0.9619491E-02 |GRAD(Rho)| 0.2128273E-12 GRAD(Rho)x 0.1682534E-12 GRAD(Rho)y 0.1755704E-13 GRAD(Rho)z 0.1291434E-12 Laplacian 0.4069616E-01 (-1/4)Del**2(Rho)) -0.1017404E-01 Diamond 0.1367735E-02 Metallicity 0.7367382E+00 Ellipticity -0.1486112E+01 Gb(Abramov) 0.8031961E-02 Vb(Abramov) -0.5889882E-02 Hb(Abramov) 0.2142079E-02 Ex_ueg -0.1510965E-02 Ec_ueg -0.3508227E-03 Delta_ex -0.1951274E-02 Delta_ec 0.6411492E-03 Delta_et -0.4456227E-02 Pxc 0.4306920E+01 Qxc -0.3043401E+01 3,+1 56 3 -1 -2.990411 2.051358 0.814558 Rho 0.1264600E+00 |GRAD(Rho)| 0.7896488E-15 GRAD(Rho)x 0.1511920E-15 GRAD(Rho)y -0.1186253E-15 GRAD(Rho)z 0.7659075E-15 Laplacian 0.4935205E+00 (-1/4)Del**2(Rho)) -0.1233801E+00 Diamond 0.8102469E+00 Metallicity 0.4448670E+01 Ellipticity 0.4305870E-01 Gb(Abramov) 0.1737330E+00 Vb(Abramov) -0.2240859E+00 Hb(Abramov) -0.5035287E-01 Ex_ueg -0.4688021E-01 Ec_ueg -0.6954119E-02 Delta_ex -0.5079048E-01 Delta_ec 0.1295232E-01 Delta_et -0.1677956E+00 Pxc 0.6741358E+01 Qxc -0.3921341E+01 3,-1 57 3 -1 -3.203698 2.201733 -2.295390 Rho 0.2343449E+00 |GRAD(Rho)| 0.3390874E-14 GRAD(Rho)x 0.2753928E-14 GRAD(Rho)y -0.1427135E-14 GRAD(Rho)z -0.1370106E-14 Laplacian 0.8618564E+00 (-1/4)Del**2(Rho)) -0.2154641E+00 Diamond 0.2956862E+01 Metallicity 0.7122036E+01 Ellipticity 0.7175316E-02 Gb(Abramov) 0.3993999E+00 Vb(Abramov) -0.5833358E+00 Hb(Abramov) -0.1839358E+00 Ex_ueg -0.1067069E+00 Ec_ueg -0.1404907E-01 Delta_ex -0.1034564E+00 Delta_ec 0.1912393E-01 Delta_et -0.2644527E+00 Pxc 0.7595299E+01 Qxc -0.5409788E+01 3,-1 58 3 +1 -2.140992 1.707531 0.166098 Rho 0.2376576E-01 |GRAD(Rho)| 0.6464173E-14 GRAD(Rho)x 0.3364601E-14 GRAD(Rho)y -0.1383752E-14 GRAD(Rho)z 0.5343240E-14 Laplacian 0.9197678E-01 (-1/4)Del**2(Rho)) -0.2299420E-01 Diamond 0.1113573E-01 Metallicity 0.1471819E+01 Ellipticity -0.3399413E+01 Gb(Abramov) 0.2097001E-01 Vb(Abramov) -0.1894583E-01 Hb(Abramov) 0.2024183E-02 Ex_ueg -0.5046465E-02 Ec_ueg -0.1026775E-02 Delta_ex -0.5633978E-02 Delta_ec 0.1543333E-02 Delta_et -0.1345961E-01 Pxc 0.4914870E+01 Qxc -0.3650526E+01 3,+1 59 3 -1 -3.210433 2.213516 2.314347 Rho 0.2236647E+00 |GRAD(Rho)| 0.7801757E-15 GRAD(Rho)x -0.3864639E-15 GRAD(Rho)y 0.3596841E-15 GRAD(Rho)z 0.5744103E-15 Laplacian 0.8072145E+00 (-1/4)Del**2(Rho)) -0.2018036E+00 Diamond 0.2630795E+01 Metallicity 0.7035366E+01 Ellipticity 0.7766949E-02 Gb(Abramov) 0.3711628E+00 Vb(Abramov) -0.5405220E+00 Hb(Abramov) -0.1693592E+00 Ex_ueg -0.1002725E+00 Ec_ueg -0.1331722E-01 Delta_ex -0.9580310E-01 Delta_ec 0.1828679E-01 Delta_et -0.2528716E+00 Pxc 0.7529537E+01 Qxc -0.5238925E+01 3,-1 60 3 +3 -1.154431 -0.012376 -1.579626 Rho 0.5211378E-02 |GRAD(Rho)| 0.9836220E-15 GRAD(Rho)x -0.8443135E-15 GRAD(Rho)y 0.2121235E-15 GRAD(Rho)z -0.4578762E-15 Laplacian 0.2165078E-01 (-1/4)Del**2(Rho)) -0.5412696E-02 Diamond 0.1681992E-03 Metallicity 0.4985712E+00 Ellipticity -0.2849858E+00 Gb(Abramov) 0.4058233E-02 Vb(Abramov) -0.2703770E-02 Hb(Abramov) 0.1354463E-02 Ex_ueg -0.6673011E-03 Ec_ueg -0.1560206E-03 Delta_ex -0.7638650E-03 Delta_ec 0.1082016E-03 Delta_et -0.8257587E-03 Pxc 0.4277007E+01 Qxc -0.7059647E+01 3,+3 61 3 +1 -0.204277 -2.526112 -1.922652 Rho 0.3079587E-02 |GRAD(Rho)| 0.5264101E-17 GRAD(Rho)x 0.3690544E-17 GRAD(Rho)y -0.3258360E-17 GRAD(Rho)z 0.1863795E-17 Laplacian 0.1227124E-01 (-1/4)Del**2(Rho)) -0.3067810E-02 Diamond 0.1327290E-03 Metallicity 0.3660543E+00 Ellipticity -0.1552796E+01 Gb(Abramov) 0.2232371E-02 Vb(Abramov) -0.1396932E-02 Hb(Abramov) 0.8354391E-03 Ex_ueg -0.3309089E-03 Ec_ueg -0.6522946E-04 Delta_ex -0.5282036E-03 Delta_ec 0.3339630E-03 Delta_et -0.1588652E-02 Pxc 0.5072997E+01 Qxc -0.1581623E+01 3,+1 62 3 +3 -0.184078 -2.235471 -1.505577 Rho 0.2820445E-02 |GRAD(Rho)| 0.4867992E-17 GRAD(Rho)x 0.4588992E-17 GRAD(Rho)y 0.2116610E-18 GRAD(Rho)z -0.1610497E-17 Laplacian 0.1135773E-01 (-1/4)Del**2(Rho)) -0.2839433E-02 Diamond 0.7832324E-04 Metallicity 0.3415997E+00 Ellipticity -0.6662785E+00 Gb(Abramov) 0.2054614E-02 Vb(Abramov) -0.1269794E-02 Hb(Abramov) 0.7848195E-03 Ex_ueg -0.2943124E-03 Ec_ueg -0.5435830E-04 Delta_ex -0.4194133E-03 Delta_ec 0.1993220E-03 Delta_et -0.9762463E-03 Pxc 0.5414304E+01 Qxc -0.2104199E+01 3,+3 63 3 +3 -2.392111 -0.053417 0.015915 Rho 0.4854980E-02 |GRAD(Rho)| 0.1116998E-11 GRAD(Rho)x -0.1090901E-12 GRAD(Rho)y -0.7558378E-12 GRAD(Rho)z 0.8151640E-12 Laplacian 0.2029201E-01 (-1/4)Del**2(Rho)) -0.5073002E-02 Diamond 0.2059485E-03 Metallicity 0.4727162E+00 Ellipticity -0.6716112E+00 Gb(Abramov) 0.3781683E-02 Vb(Abramov) -0.2490364E-02 Hb(Abramov) 0.1291319E-02 Ex_ueg -0.6071578E-03 Ec_ueg -0.1406773E-03 Delta_ex -0.7628222E-03 Delta_ec 0.2098094E-03 Delta_et -0.1303469E-02 Pxc 0.4315961E+01 Qxc -0.3635787E+01 3,+3 64 3 +1 -0.606390 -0.838713 1.526031 Rho 0.9524632E-02 |GRAD(Rho)| 0.1263717E-12 GRAD(Rho)x 0.1000635E-12 GRAD(Rho)y -0.7362488E-13 GRAD(Rho)z 0.2316199E-13 Laplacian 0.4102772E-01 (-1/4)Del**2(Rho)) -0.1025693E-01 Diamond 0.1350287E-02 Metallicity 0.7188133E+00 Ellipticity -0.1451773E+01 Gb(Abramov) 0.8066756E-02 Vb(Abramov) -0.5876583E-02 Hb(Abramov) 0.2190174E-02 Ex_ueg -0.1491132E-02 Ec_ueg -0.3465382E-03 Delta_ex -0.1958323E-02 Delta_ec 0.6392850E-03 Delta_et -0.4436686E-02 Pxc 0.4302935E+01 Qxc -0.3063302E+01 3,+1 65 3 +3 -1.162002 0.023925 1.569953 Rho 0.5037899E-02 |GRAD(Rho)| 0.5153230E-17 GRAD(Rho)x 0.1156699E-17 GRAD(Rho)y 0.6103630E-18 GRAD(Rho)z -0.4984504E-17 Laplacian 0.2087000E-01 (-1/4)Del**2(Rho)) -0.5217501E-02 Diamond 0.1576618E-03 Metallicity 0.4888472E+00 Ellipticity -0.3057843E+00 Gb(Abramov) 0.3903427E-02 Vb(Abramov) -0.2589354E-02 Hb(Abramov) 0.1314073E-02 Ex_ueg -0.6378488E-03 Ec_ueg -0.1485441E-03 Delta_ex -0.7321217E-03 Delta_ec 0.1090100E-03 Delta_et -0.8147996E-03 Pxc 0.4294002E+01 Qxc -0.6716098E+01 3,+3 66 3 -1 -1.786123 -1.634948 -2.351973 Rho 0.1319449E+00 |GRAD(Rho)| 0.1444509E-15 GRAD(Rho)x -0.6178597E-16 GRAD(Rho)y -0.1265061E-15 GRAD(Rho)z -0.3232278E-16 Laplacian 0.5507437E+00 (-1/4)Del**2(Rho)) -0.1376859E+00 Diamond 0.9681560E+00 Metallicity 0.4278762E+01 Ellipticity 0.1433474E-01 Gb(Abramov) 0.1899782E+00 Vb(Abramov) -0.2422704E+00 Hb(Abramov) -0.5229223E-01 Ex_ueg -0.4961069E-01 Ec_ueg -0.7297952E-02 Delta_ex -0.5745979E-01 Delta_ec 0.1465904E-01 Delta_et -0.1918882E+00 Pxc 0.6797893E+01 Qxc -0.3919752E+01 3,-1 67 3 -1 -1.723501 -1.637831 -0.844040 Rho 0.4754522E-01 |GRAD(Rho)| 0.1038404E-14 GRAD(Rho)x 0.5723131E-15 GRAD(Rho)y -0.8284450E-15 GRAD(Rho)z 0.2538117E-15 Laplacian 0.1881069E+00 (-1/4)Del**2(Rho)) -0.4702673E-01 Diamond 0.9042511E-01 Metallicity 0.2285878E+01 Ellipticity 0.1823932E-01 Gb(Abramov) 0.4926739E-01 Vb(Abramov) -0.5150804E-01 Hb(Abramov) -0.2240652E-02 Ex_ueg -0.1272118E-01 Ec_ueg -0.2279638E-02 Delta_ex -0.1535231E-01 Delta_ec 0.5720192E-02 Delta_et -0.5955501E-01 Pxc 0.5580351E+01 Qxc -0.2683881E+01 3,-1 68 3 +1 -2.183823 -1.737042 -0.046793 Rho 0.2884007E-01 |GRAD(Rho)| 0.6281045E-16 GRAD(Rho)x 0.1567018E-16 GRAD(Rho)y -0.3900391E-16 GRAD(Rho)z 0.4667219E-16 Laplacian 0.1209152E+00 (-1/4)Del**2(Rho)) -0.3022879E-01 Diamond 0.2098307E-01 Metallicity 0.1545703E+01 Ellipticity -0.7269608E+01 Gb(Abramov) 0.2793998E-01 Vb(Abramov) -0.2565118E-01 Hb(Abramov) 0.2288806E-02 Ex_ueg -0.6532008E-02 Ec_ueg -0.1283933E-02 Delta_ex -0.7969371E-02 Delta_ec 0.2328905E-02 Delta_et -0.2124589E-01 Pxc 0.5087499E+01 Qxc -0.3421940E+01 3,+1 69 3 -1 -1.719059 -1.643253 0.835032 Rho 0.4887891E-01 |GRAD(Rho)| 0.8658416E-16 GRAD(Rho)x -0.6210700E-16 GRAD(Rho)y -0.3889808E-16 GRAD(Rho)z 0.4611374E-16 Laplacian 0.1937457E+00 (-1/4)Del**2(Rho)) -0.4843642E-01 Diamond 0.9666389E-01 Metallicity 0.2324076E+01 Ellipticity 0.1837754E-01 Gb(Abramov) 0.5105260E-01 Vb(Abramov) -0.5366878E-01 Hb(Abramov) -0.2616183E-02 Ex_ueg -0.1319919E-01 Ec_ueg -0.2352999E-02 Delta_ex -0.1592051E-01 Delta_ec 0.5887289E-02 Delta_et -0.6174325E-01 Pxc 0.5609517E+01 Qxc -0.2704218E+01 3,-1 70 3 -1 -1.783792 -1.634763 2.333861 Rho 0.1321753E+00 |GRAD(Rho)| 0.4770035E-15 GRAD(Rho)x 0.3621506E-15 GRAD(Rho)y 0.8158621E-16 GRAD(Rho)z 0.2995380E-15 Laplacian 0.5534346E+00 (-1/4)Del**2(Rho)) -0.1383587E+00 Diamond 0.9747842E+00 Metallicity 0.4270354E+01 Ellipticity 0.1376285E-01 Gb(Abramov) 0.1907125E+00 Vb(Abramov) -0.2430663E+00 Hb(Abramov) -0.5235384E-01 Ex_ueg -0.4972621E-01 Ec_ueg -0.7312435E-02 Delta_ex -0.5776310E-01 Delta_ec 0.1472153E-01 Delta_et -0.1927555E+00 Pxc 0.6800225E+01 Qxc -0.3923716E+01 3,-1 71 3 +1 -0.614529 -0.846777 -1.535986 Rho 0.9418630E-02 |GRAD(Rho)| 0.1599381E-16 GRAD(Rho)x 0.1005363E-16 GRAD(Rho)y 0.5443229E-17 GRAD(Rho)z -0.1118470E-16 Laplacian 0.4024295E-01 (-1/4)Del**2(Rho)) -0.1006074E-01 Diamond 0.1300142E-02 Metallicity 0.7192882E+00 Ellipticity -0.1452712E+01 Gb(Abramov) 0.7913254E-02 Vb(Abramov) -0.5765769E-02 Hb(Abramov) 0.2147484E-02 Ex_ueg -0.1469046E-02 Ec_ueg -0.3417551E-03 Delta_ex -0.1913775E-02 Delta_ec 0.6240129E-03 Delta_et -0.4320173E-02 Pxc 0.4298534E+01 Qxc -0.3066884E+01 3,+1 72 3 +1 -1.740856 -0.012064 0.749981 Rho 0.9127282E-02 |GRAD(Rho)| 0.2083927E-16 GRAD(Rho)x 0.1645141E-16 GRAD(Rho)y -0.5932737E-17 GRAD(Rho)z -0.1133266E-16 Laplacian 0.3850554E-01 (-1/4)Del**2(Rho)) -0.9626385E-02 Diamond 0.1229653E-02 Metallicity 0.7133878E+00 Ellipticity -0.1491168E+01 Gb(Abramov) 0.7562148E-02 Vb(Abramov) -0.5497910E-02 Hb(Abramov) 0.2064237E-02 Ex_ueg -0.1408771E-02 Ec_ueg -0.3286334E-03 Delta_ex -0.1832515E-02 Delta_ec 0.6251429E-03 Delta_et -0.4272179E-02 Pxc 0.4286754E+01 Qxc -0.2931353E+01 3,+1 73 3 +1 -0.561906 0.791844 -1.571941 Rho 0.8956499E-02 |GRAD(Rho)| 0.2163654E-13 GRAD(Rho)x 0.1705325E-13 GRAD(Rho)y -0.1329990E-13 GRAD(Rho)z 0.6626265E-15 Laplacian 0.3737955E-01 (-1/4)Del**2(Rho)) -0.9344889E-02 Diamond 0.1079977E-02 Metallicity 0.7121031E+00 Ellipticity -0.1410469E+01 Gb(Abramov) 0.7339013E-02 Vb(Abramov) -0.5333138E-02 Hb(Abramov) 0.2005876E-02 Ex_ueg -0.1373734E-02 Ec_ueg -0.3209590E-03 Delta_ex -0.1735014E-02 Delta_ec 0.5432894E-03 Delta_et -0.3738418E-02 Pxc 0.4280094E+01 Qxc -0.3193536E+01 3,+1 74 3 -1 -1.709956 1.512388 -0.842056 Rho 0.4368728E-01 |GRAD(Rho)| 0.9531977E-16 GRAD(Rho)x -0.3275349E-16 GRAD(Rho)y 0.8714910E-17 GRAD(Rho)z -0.8909050E-16 Laplacian 0.1713737E+00 (-1/4)Del**2(Rho)) -0.4284343E-01 Diamond 0.7175609E-01 Metallicity 0.2179017E+01 Ellipticity 0.1887982E-01 Gb(Abramov) 0.4412171E-01 Vb(Abramov) -0.4540000E-01 Hb(Abramov) -0.1278284E-02 Ex_ueg -0.1136384E-01 Ec_ueg -0.2069022E-02 Delta_ex -0.1360854E-01 Delta_ec 0.5060161E-02 Delta_et -0.5148293E-01 Pxc 0.5492372E+01 Qxc -0.2689348E+01 3,-1 75 3 -1 -1.722846 1.520822 0.851234 Rho 0.3701485E-01 |GRAD(Rho)| 0.7696501E-16 GRAD(Rho)x -0.4330943E-16 GRAD(Rho)y 0.3704822E-16 GRAD(Rho)z 0.5172364E-16 Laplacian 0.1499087E+00 (-1/4)Del**2(Rho)) -0.3747717E-01 Diamond 0.5169162E-01 Metallicity 0.1889788E+01 Ellipticity 0.1776265E-01 Gb(Abramov) 0.3678877E-01 Vb(Abramov) -0.3610036E-01 Hb(Abramov) 0.6884054E-03 Ex_ueg -0.9110729E-02 Ec_ueg -0.1710803E-02 Delta_ex -0.1152635E-01 Delta_ec 0.4613779E-02 Delta_et -0.4490857E-01 Pxc 0.5325410E+01 Qxc -0.2498245E+01 3,-1 76 3 +1 -0.575596 0.808010 1.569323 Rho 0.8376075E-02 |GRAD(Rho)| 0.9484491E-17 GRAD(Rho)x 0.6243847E-17 GRAD(Rho)y -0.6789288E-17 GRAD(Rho)z -0.2208059E-17 Laplacian 0.3455887E-01 (-1/4)Del**2(Rho)) -0.8639717E-02 Diamond 0.9289362E-03 Metallicity 0.6888445E+00 Ellipticity -0.1416707E+01 Gb(Abramov) 0.6751715E-02 Vb(Abramov) -0.4863713E-02 Hb(Abramov) 0.1888002E-02 Ex_ueg -0.1256336E-02 Ec_ueg -0.2949722E-03 Delta_ex -0.1585441E-02 Delta_ec 0.5169254E-03 Delta_et -0.3484175E-02 Pxc 0.4259167E+01 Qxc -0.3067059E+01 3,+1 77 3 -1 -1.803937 1.567230 -2.357164 Rho 0.1390265E+00 |GRAD(Rho)| 0.7907890E-16 GRAD(Rho)x -0.6919920E-16 GRAD(Rho)y 0.1580902E-16 GRAD(Rho)z -0.3485710E-16 Laplacian 0.5770425E+00 (-1/4)Del**2(Rho)) -0.1442606E+00 Diamond 0.1074368E+01 Metallicity 0.4455551E+01 Ellipticity 0.9462482E-02 Gb(Abramov) 0.2033005E+00 Vb(Abramov) -0.2623404E+00 Hb(Abramov) -0.5903989E-01 Ex_ueg -0.5319228E-01 Ec_ueg -0.7744797E-02 Delta_ex -0.6090509E-01 Delta_ec 0.1505412E-01 Delta_et -0.1984802E+00 Pxc 0.6868130E+01 Qxc -0.4045741E+01 3,-1 78 3 +1 1.321762 0.754869 2.184397 Rho 0.2244671E-01 |GRAD(Rho)| 0.2578397E-16 GRAD(Rho)x -0.3550965E-17 GRAD(Rho)y 0.1725946E-17 GRAD(Rho)z -0.2547990E-16 Laplacian 0.8384884E-01 (-1/4)Del**2(Rho)) -0.2096221E-01 Diamond 0.8940242E-02 Metallicity 0.1467925E+01 Ellipticity -0.2936501E+01 Gb(Abramov) 0.1910330E-01 Vb(Abramov) -0.1724439E-01 Hb(Abramov) 0.1858911E-02 Ex_ueg -0.4676511E-02 Ec_ueg -0.9610396E-03 Delta_ex -0.5002929E-02 Delta_ec 0.1307484E-02 Delta_et -0.1127384E-01 Pxc 0.4866096E+01 Qxc -0.3826380E+01 3,+1 79 3 +1 -1.079741 2.409800 -0.585358 Rho 0.2368224E-01 |GRAD(Rho)| 0.2483366E-16 GRAD(Rho)x -0.2635589E-17 GRAD(Rho)y -0.1781613E-16 GRAD(Rho)z 0.1709824E-16 Laplacian 0.9361341E-01 (-1/4)Del**2(Rho)) -0.2340335E-01 Diamond 0.1197740E-01 Metallicity 0.1437628E+01 Ellipticity -0.4371063E+01 Gb(Abramov) 0.2120979E-01 Vb(Abramov) -0.1901622E-01 Hb(Abramov) 0.2193566E-02 Ex_ueg -0.5022834E-02 Ec_ueg -0.1022599E-02 Delta_ex -0.5810366E-02 Delta_ec 0.1716337E-02 Delta_et -0.1491586E-01 Pxc 0.4911833E+01 Qxc -0.3385330E+01 3,+1 80 3 +1 -1.261829 2.292125 0.710840 Rho 0.2264443E-01 |GRAD(Rho)| 0.3566077E-16 GRAD(Rho)x 0.2057698E-16 GRAD(Rho)y -0.9673028E-17 GRAD(Rho)z -0.2747200E-16 Laplacian 0.8968934E-01 (-1/4)Del**2(Rho)) -0.2242234E-01 Diamond 0.1140504E-01 Metallicity 0.1392541E+01 Ellipticity -0.6296799E+01 Gb(Abramov) 0.2015223E-01 Vb(Abramov) -0.1788212E-01 Hb(Abramov) 0.2270107E-02 Ex_ueg -0.4731517E-02 Ec_ueg -0.9708623E-03 Delta_ex -0.5577902E-02 Delta_ec 0.1780401E-02 Delta_et -0.1526021E-01 Pxc 0.4873520E+01 Qxc -0.3132947E+01 3,+1 81 3 -1 -0.194154 -3.351627 -1.571859 Rho 0.4778429E-02 |GRAD(Rho)| 0.7426944E-13 GRAD(Rho)x 0.7237935E-13 GRAD(Rho)y -0.6853743E-14 GRAD(Rho)z -0.1517255E-13 Laplacian 0.1858540E-01 (-1/4)Del**2(Rho)) -0.4646350E-02 Diamond 0.6415462E-03 Metallicity 0.5026317E+00 Ellipticity 0.1397090E+00 Gb(Abramov) 0.3486800E-02 Vb(Abramov) -0.2327251E-02 Hb(Abramov) 0.1159550E-02 Ex_ueg -0.5944271E-03 Ec_ueg -0.1373902E-03 Delta_ex -0.1146603E-02 Delta_ec 0.9969078E-03 Delta_et -0.5173589E-02 Pxc 0.4326561E+01 Qxc -0.1150160E+01 3,-1 82 3 +1 -0.260491 -2.560003 -1.162904 Rho 0.2978499E-02 |GRAD(Rho)| 0.7552827E-13 GRAD(Rho)x -0.6289139E-13 GRAD(Rho)y 0.4077339E-13 GRAD(Rho)z -0.9312482E-14 Laplacian 0.1186334E-01 (-1/4)Del**2(Rho)) -0.2965835E-02 Diamond 0.1034724E-03 Metallicity 0.3581530E+00 Ellipticity -0.1315434E+01 Gb(Abramov) 0.2154260E-02 Vb(Abramov) -0.1342686E-02 Hb(Abramov) 0.8115745E-03 Ex_ueg -0.3165058E-03 Ec_ueg -0.6098436E-04 Delta_ex -0.4718322E-03 Delta_ec 0.2592687E-03 Delta_et -0.1251619E-02 Pxc 0.5189950E+01 Qxc -0.1819858E+01 3,+1 83 3 +1 -0.257466 -2.559767 1.176058 Rho 0.2913063E-02 |GRAD(Rho)| 0.1757466E-15 GRAD(Rho)x 0.8076300E-16 GRAD(Rho)y -0.1129597E-15 GRAD(Rho)z 0.1077233E-15 Laplacian 0.1152842E-01 (-1/4)Del**2(Rho)) -0.2882104E-02 Diamond 0.9715795E-04 Metallicity 0.3551621E+00 Ellipticity -0.1300871E+01 Gb(Abramov) 0.2092005E-02 Vb(Abramov) -0.1301906E-02 Hb(Abramov) 0.7900991E-03 Ex_ueg -0.3072686E-03 Ec_ueg -0.5823944E-04 Delta_ex -0.4556280E-03 Delta_ec 0.2504556E-03 Delta_et -0.1202144E-02 Pxc 0.5275954E+01 Qxc -0.1819196E+01 3,+1 84 3 +1 -0.205385 -2.535121 1.914745 Rho 0.3036366E-02 |GRAD(Rho)| 0.7318764E-17 GRAD(Rho)x 0.4345846E-17 GRAD(Rho)y -0.5275772E-17 GRAD(Rho)z -0.2616135E-17 Laplacian 0.1198531E-01 (-1/4)Del**2(Rho)) -0.2996327E-02 Diamond 0.1259846E-03 Metallicity 0.3660616E+00 Ellipticity -0.1542832E+01 Gb(Abramov) 0.2180358E-02 Vb(Abramov) -0.1364389E-02 Hb(Abramov) 0.8159689E-03 Ex_ueg -0.3247311E-03 Ec_ueg -0.6341375E-04 Delta_ex -0.5123271E-03 Delta_ec 0.3222585E-03 Delta_et -0.1528389E-02 Pxc 0.5120831E+01 Qxc -0.1589802E+01 3,+1 85 3 -1 -0.193060 -3.366497 1.578658 Rho 0.4664915E-02 |GRAD(Rho)| 0.7144051E-17 GRAD(Rho)x -0.7058861E-17 GRAD(Rho)y -0.5849601E-18 GRAD(Rho)z 0.9315473E-18 Laplacian 0.1794573E-01 (-1/4)Del**2(Rho)) -0.4486433E-02 Diamond 0.5966399E-03 Metallicity 0.5001015E+00 Ellipticity 0.1427399E+00 Gb(Abramov) 0.3364901E-02 Vb(Abramov) -0.2243368E-02 Hb(Abramov) 0.1121532E-02 Ex_ueg -0.5756741E-03 Ec_ueg -0.1325213E-03 Delta_ex -0.1099836E-02 Delta_ec 0.9568009E-03 Delta_et -0.4929545E-02 Pxc 0.4344011E+01 Qxc -0.1149493E+01 3,-1 86 3 +1 1.726508 -2.785232 -0.005310 Rho 0.7465123E-02 |GRAD(Rho)| 0.1585739E-16 GRAD(Rho)x -0.8647091E-17 GRAD(Rho)y -0.3879360E-17 GRAD(Rho)z -0.1271358E-16 Laplacian 0.3390146E-01 (-1/4)Del**2(Rho)) -0.8475365E-02 Diamond 0.1127149E-02 Metallicity 0.5795929E+00 Ellipticity -0.1794984E+01 Gb(Abramov) 0.6468953E-02 Vb(Abramov) -0.4462542E-02 Hb(Abramov) 0.2006411E-02 Ex_ueg -0.1077542E-02 Ec_ueg -0.2544923E-03 Delta_ex -0.1700778E-02 Delta_ec 0.8451668E-03 Delta_et -0.5258409E-02 Pxc 0.4234086E+01 Qxc -0.2012357E+01 3,+1 87 3 -1 1.453503 -3.064810 -0.003016 Rho 0.7925260E-02 |GRAD(Rho)| 0.8528019E-17 GRAD(Rho)x -0.1766760E-17 GRAD(Rho)y 0.7563766E-18 GRAD(Rho)z -0.8308643E-17 Laplacian 0.3266691E-01 (-1/4)Del**2(Rho)) -0.8166728E-02 Diamond 0.1863778E-02 Metallicity 0.6645500E+00 Ellipticity 0.4527826E+00 Gb(Abramov) 0.6349018E-02 Vb(Abramov) -0.4531309E-02 Hb(Abramov) 0.1817710E-02 Ex_ueg -0.1166997E-02 Ec_ueg -0.2748923E-03 Delta_ex -0.2005378E-02 Delta_ec 0.1429984E-02 Delta_et -0.8763064E-02 Pxc 0.4245289E+01 Qxc -0.1402379E+01 3,-1 88 3 +3 1.846113 -0.000852 -2.535928 Rho 0.1153198E-01 |GRAD(Rho)| 0.4346590E-15 GRAD(Rho)x -0.2828452E-15 GRAD(Rho)y 0.2765811E-16 GRAD(Rho)z 0.3288799E-15 Laplacian 0.5191120E-01 (-1/4)Del**2(Rho)) -0.1297780E-01 Diamond 0.1044741E-02 Metallicity 0.7813737E+00 Ellipticity -0.4518606E+00 Gb(Abramov) 0.1034195E-01 Vb(Abramov) -0.7706104E-02 Hb(Abramov) 0.2635848E-02 Ex_ueg -0.1924230E-02 Ec_ueg -0.4380071E-03 Delta_ex -0.2243223E-02 Delta_ec 0.1705958E-03 Delta_et -0.1661485E-02 Pxc 0.4393149E+01 Qxc -0.1314934E+02 3,+3 89 3 +1 1.682924 -0.785072 -0.013033 Rho 0.7991479E-02 |GRAD(Rho)| 0.2617378E-15 GRAD(Rho)x -0.2427619E-15 GRAD(Rho)y 0.6669535E-16 GRAD(Rho)z 0.7158963E-16 Laplacian 0.3364910E-01 (-1/4)Del**2(Rho)) -0.8412274E-02 Diamond 0.8740062E-03 Metallicity 0.6541616E+00 Ellipticity -0.1409176E+01 Gb(Abramov) 0.6525347E-02 Vb(Abramov) -0.4638420E-02 Hb(Abramov) 0.1886927E-02 Ex_ueg -0.1180016E-02 Ec_ueg -0.2778360E-03 Delta_ex -0.1538427E-02 Delta_ec 0.5259977E-03 Delta_et -0.3484238E-02 Pxc 0.4247168E+01 Qxc -0.2924779E+01 3,+1 90 3 +3 1.829977 0.014046 2.533303 Rho 0.1175779E-01 |GRAD(Rho)| 0.1304493E-16 GRAD(Rho)x 0.9913941E-17 GRAD(Rho)y -0.3075994E-17 GRAD(Rho)z -0.7900767E-17 Laplacian 0.5339840E-01 (-1/4)Del**2(Rho)) -0.1334960E-01 Diamond 0.1085580E-02 Metallicity 0.7845628E+00 Ellipticity -0.4722317E+00 Gb(Abramov) 0.1064533E-01 Vb(Abramov) -0.7941067E-02 Hb(Abramov) 0.2704267E-02 Ex_ueg -0.1974631E-02 Ec_ueg -0.4483993E-03 Delta_ex -0.2315210E-02 Delta_ec 0.1655425E-03 Delta_et -0.1644885E-02 Pxc 0.4403734E+01 Qxc -0.1398559E+02 3,+3 91 3 +1 2.036809 0.032054 2.847885 Rho 0.1239093E-01 |GRAD(Rho)| 0.2323807E-16 GRAD(Rho)x 0.4096241E-17 GRAD(Rho)y 0.2287101E-16 GRAD(Rho)z -0.3817796E-18 Laplacian 0.5829086E-01 (-1/4)Del**2(Rho)) -0.1457271E-01 Diamond 0.2130656E-02 Metallicity 0.7843663E+00 Ellipticity -0.1211631E+01 Gb(Abramov) 0.1162020E-01 Vb(Abramov) -0.8667687E-02 Hb(Abramov) 0.2952514E-02 Ex_ueg -0.2117662E-02 Ec_ueg -0.4776454E-03 Delta_ex -0.2803760E-02 Delta_ec 0.6033287E-03 Delta_et -0.4675262E-02 Pxc 0.4433545E+01 Qxc -0.4647152E+01 3,+1 92 3 +1 2.048688 0.024557 -2.849839 Rho 0.1213883E-01 |GRAD(Rho)| 0.4464011E-16 GRAD(Rho)x 0.1993398E-16 GRAD(Rho)y 0.3757462E-16 GRAD(Rho)z 0.1354708E-16 Laplacian 0.5657272E-01 (-1/4)Del**2(Rho)) -0.1414318E-01 Diamond 0.2031847E-02 Metallicity 0.7809702E+00 Ellipticity -0.1221740E+01 Gb(Abramov) 0.1126969E-01 Vb(Abramov) -0.8396193E-02 Hb(Abramov) 0.2873493E-02 Ex_ueg -0.2060413E-02 Ec_ueg -0.4659819E-03 Delta_ex -0.2712109E-02 Delta_ec 0.5965806E-03 Delta_et -0.4591148E-02 Pxc 0.4421660E+01 Qxc -0.4546090E+01 3,+1 93 3 +3 2.329739 0.066528 -0.013722 Rho 0.3761047E-02 |GRAD(Rho)| 0.3884253E-17 GRAD(Rho)x -0.3100348E-18 GRAD(Rho)y -0.3202902E-17 GRAD(Rho)z -0.2175481E-17 Laplacian 0.1552689E-01 (-1/4)Del**2(Rho)) -0.3881722E-02 Diamond 0.1037240E-03 Metallicity 0.4036857E+00 Ellipticity -0.3010306E+00 Gb(Abramov) 0.2848980E-02 Vb(Abramov) -0.1816239E-02 Hb(Abramov) 0.1032741E-02 Ex_ueg -0.4319798E-03 Ec_ueg -0.9399153E-04 Delta_ex -0.5370924E-03 Delta_ec 0.1416716E-03 Delta_et -0.8496084E-03 Pxc 0.4595943E+01 Qxc -0.3791109E+01 3,+3 94 3 +1 2.112066 -0.290241 -1.676585 Rho 0.2006652E-01 |GRAD(Rho)| 0.1467674E-16 GRAD(Rho)x 0.1414769E-16 GRAD(Rho)y 0.3622814E-17 GRAD(Rho)z 0.1457695E-17 Laplacian 0.7562062E-01 (-1/4)Del**2(Rho)) -0.1890515E-01 Diamond 0.6817713E-02 Metallicity 0.1350288E+01 Ellipticity -0.2445540E+01 Gb(Abramov) 0.1685800E-01 Vb(Abramov) -0.1481085E-01 Hb(Abramov) 0.2047150E-02 Ex_ueg -0.4027306E-02 Ec_ueg -0.8436824E-03 Delta_ex -0.4365256E-02 Delta_ec 0.1155254E-02 Delta_et -0.9702780E-02 Pxc 0.4773485E+01 Qxc -0.3778613E+01 3,+1 95 3 +1 2.103181 -0.209355 1.664674 Rho 0.2143410E-01 |GRAD(Rho)| 0.3283640E-16 GRAD(Rho)x -0.6997461E-17 GRAD(Rho)y -0.2964888E-16 GRAD(Rho)z -0.1225596E-16 Laplacian 0.8203216E-01 (-1/4)Del**2(Rho)) -0.2050804E-01 Diamond 0.8822717E-02 Metallicity 0.1389327E+01 Ellipticity -0.3397324E+01 Gb(Abramov) 0.1842076E-01 Vb(Abramov) -0.1633347E-01 Hb(Abramov) 0.2087285E-02 Ex_ueg -0.4397360E-02 Ec_ueg -0.9109092E-03 Delta_ex -0.4916319E-02 Delta_ec 0.1425566E-02 Delta_et -0.1210246E-01 Pxc 0.4827441E+01 Qxc -0.3448678E+01 3,+1 96 3 +1 3.023112 0.073296 -0.069432 Rho 0.4693469E-02 |GRAD(Rho)| 0.1950803E-16 GRAD(Rho)x 0.1643248E-16 GRAD(Rho)y 0.5431627E-17 GRAD(Rho)z -0.9001901E-17 Laplacian 0.1897614E-01 (-1/4)Del**2(Rho)) -0.4744036E-02 Diamond 0.4476206E-03 Metallicity 0.4777806E+00 Ellipticity -0.6251713E+01 Gb(Abramov) 0.3540459E-02 Vb(Abramov) -0.2336881E-02 Hb(Abramov) 0.1203577E-02 Ex_ueg -0.5803772E-03 Ec_ueg -0.1337455E-03 Delta_ex -0.9736757E-03 Delta_ec 0.6718023E-03 Delta_et -0.3549525E-02 Pxc 0.4339416E+01 Qxc -0.1449349E+01 3,+1 97 3 -1 2.969026 -0.827990 -1.976778 Rho 0.7603103E-01 |GRAD(Rho)| 0.2253008E-14 GRAD(Rho)x -0.6240608E-15 GRAD(Rho)y -0.2153503E-14 GRAD(Rho)z 0.2213966E-15 Laplacian 0.3095538E+00 (-1/4)Del**2(Rho)) -0.7738846E-01 Diamond 0.2738857E+00 Metallicity 0.3037585E+01 Ellipticity 0.1383719E-02 Gb(Abramov) 0.9077131E-01 Vb(Abramov) -0.1041542E+00 Hb(Abramov) -0.1338285E-01 Ex_ueg -0.2378882E-01 Ec_ueg -0.3897670E-02 Delta_ex -0.2827391E-01 Delta_ec 0.9037722E-02 Delta_et -0.1057859E+00 Pxc 0.6103344E+01 Qxc -0.3128433E+01 3,-1 98 3 -1 3.012324 0.858165 -1.998457 Rho 0.1838881E+00 |GRAD(Rho)| 0.1990871E-12 GRAD(Rho)x -0.7062149E-13 GRAD(Rho)y 0.1850634E-12 GRAD(Rho)z 0.1999552E-13 Laplacian 0.7222076E+00 (-1/4)Del**2(Rho)) -0.1805519E+00 Diamond 0.1855041E+01 Metallicity 0.5673799E+01 Ellipticity 0.4692101E-01 Gb(Abramov) 0.2911038E+00 Vb(Abramov) -0.4016557E+00 Hb(Abramov) -0.1105519E+00 Ex_ueg -0.7723070E-01 Ec_ueg -0.1064710E-01 Delta_ex -0.8148783E-01 Delta_ec 0.1719973E-01 Delta_et -0.2340635E+00 Pxc 0.7253683E+01 Qxc -0.4737739E+01 3,-1 99 3 -1 3.000580 0.858853 1.993684 Rho 0.1791455E+00 |GRAD(Rho)| 0.5590061E-13 GRAD(Rho)x -0.1986082E-13 GRAD(Rho)y 0.5191767E-13 GRAD(Rho)z -0.5914485E-14 Laplacian 0.7060942E+00 (-1/4)Del**2(Rho)) -0.1765235E+00 Diamond 0.1758758E+01 Metallicity 0.5555978E+01 Ellipticity 0.4452092E-01 Gb(Abramov) 0.2811425E+00 Vb(Abramov) -0.3857615E+00 Hb(Abramov) -0.1046190E+00 Ex_ueg -0.7458641E-01 Ec_ueg -0.1033468E-01 Delta_ex -0.7915487E-01 Delta_ec 0.1694900E-01 Delta_et -0.2300975E+00 Pxc 0.7217100E+01 Qxc -0.4670179E+01 3,-1 100 3 -1 -2.971785 -2.095133 -0.797430 Rho 0.1398914E+00 |GRAD(Rho)| 0.6693706E-12 GRAD(Rho)x -0.2916831E-12 GRAD(Rho)y -0.6113919E-13 GRAD(Rho)z 0.5993664E-12 Laplacian 0.5401453E+00 (-1/4)Del**2(Rho)) -0.1350363E+00 Diamond 0.1021875E+01 Metallicity 0.4809365E+01 Ellipticity 0.3664839E-01 Gb(Abramov) 0.1982640E+00 Vb(Abramov) -0.2614917E+00 Hb(Abramov) -0.6322772E-01 Ex_ueg -0.5363396E-01 Ec_ueg -0.7799593E-02 Delta_ex -0.5719160E-01 Delta_ec 0.1423988E-01 Delta_et -0.1882732E+00 Pxc 0.6876507E+01 Qxc -0.4016297E+01 3,-1 101 3 -1 -2.762754 -0.931692 -1.652267 Rho 0.7606343E-01 |GRAD(Rho)| 0.3643129E-14 GRAD(Rho)x 0.8337422E-15 GRAD(Rho)y 0.3512280E-14 GRAD(Rho)z 0.4910758E-15 Laplacian 0.3185403E+00 (-1/4)Del**2(Rho)) -0.7963508E-01 Diamond 0.2846082E+00 Metallicity 0.2953987E+01 Ellipticity 0.6012265E-02 Gb(Abramov) 0.9229688E-01 Vb(Abramov) -0.1049587E+00 Hb(Abramov) -0.1266180E-01 Ex_ueg -0.2380234E-01 Ec_ueg -0.3899563E-02 Delta_ex -0.2916219E-01 Delta_ec 0.9414774E-02 Delta_et -0.1102964E+00 Pxc 0.6103847E+01 Qxc -0.3097492E+01 3,-1 102 3 -1 -2.968080 -2.100974 0.787227 Rho 0.1427332E+00 |GRAD(Rho)| 0.1112315E-11 GRAD(Rho)x -0.5148604E-12 GRAD(Rho)y -0.4144953E-13 GRAD(Rho)z -0.9851119E-12 Laplacian 0.5519103E+00 (-1/4)Del**2(Rho)) -0.1379776E+00 Diamond 0.1067961E+01 Metallicity 0.4867279E+01 Ellipticity 0.4169480E-01 Gb(Abramov) 0.2039143E+00 Vb(Abramov) -0.2698510E+00 Hb(Abramov) -0.6593670E-01 Ex_ueg -0.5509155E-01 Ec_ueg -0.7979968E-02 Delta_ex -0.5870517E-01 Delta_ec 0.1444707E-01 Delta_et -0.1915369E+00 Pxc 0.6903731E+01 Qxc -0.4063464E+01 3,-1 103 3 -1 -3.234120 -2.183334 -2.301711 Rho 0.2304287E+00 |GRAD(Rho)| 0.1761468E-10 GRAD(Rho)x -0.1364840E-10 GRAD(Rho)y -0.2462832E-11 GRAD(Rho)z -0.1085967E-10 Laplacian 0.8491808E+00 (-1/4)Del**2(Rho)) -0.2122952E+00 Diamond 0.2861641E+01 Metallicity 0.7028143E+01 Ellipticity 0.2111231E-01 Gb(Abramov) 0.3902036E+00 Vb(Abramov) -0.5681121E+00 Hb(Abramov) -0.1779084E+00 Ex_ueg -0.1043359E+00 Ec_ueg -0.1377999E-01 Delta_ex -0.1015266E+00 Delta_ec 0.1900351E-01 Delta_et -0.2628885E+00 Pxc 0.7571554E+01 Qxc -0.5342516E+01 3,-1 104 3 -1 -3.228515 -2.182053 2.284638 Rho 0.2303149E+00 |GRAD(Rho)| 0.6778559E-15 GRAD(Rho)x 0.6224405E-15 GRAD(Rho)y 0.1188421E-15 GRAD(Rho)z -0.2406929E-15 Laplacian 0.8499826E+00 (-1/4)Del**2(Rho)) -0.2124957E+00 Diamond 0.2861939E+01 Metallicity 0.7015734E+01 Ellipticity 0.2125439E-01 Gb(Abramov) 0.3901326E+00 Vb(Abramov) -0.5677695E+00 Hb(Abramov) -0.1776369E+00 Ex_ueg -0.1042672E+00 Ec_ueg -0.1377218E-01 Delta_ex -0.1016054E+00 Delta_ec 0.1901714E-01 Delta_et -0.2630417E+00 Pxc 0.7570858E+01 Qxc -0.5342835E+01 3,-1 105 3 +1 -1.764003 0.013340 -2.456875 Rho 0.1169009E-01 |GRAD(Rho)| 0.2403697E-16 GRAD(Rho)x -0.1511209E-16 GRAD(Rho)y 0.1729203E-16 GRAD(Rho)z 0.7098346E-17 Laplacian 0.5702494E-01 (-1/4)Del**2(Rho)) -0.1425624E-01 Diamond 0.2214598E-02 Metallicity 0.7276314E+00 Ellipticity -0.1284530E+01 Gb(Abramov) 0.1123304E-01 Vb(Abramov) -0.8209840E-02 Hb(Abramov) 0.3023198E-02 Ex_ueg -0.1959486E-02 Ec_ueg -0.4452814E-03 Delta_ex -0.2786797E-02 Delta_ec 0.7455909E-03 Delta_et -0.5550768E-02 Pxc 0.4400557E+01 Qxc -0.3737702E+01 3,+1 106 3 -1 -2.797103 0.882301 -1.648842 Rho 0.1906297E+00 |GRAD(Rho)| 0.2002515E-08 GRAD(Rho)x -0.4813554E-09 GRAD(Rho)y -0.1940126E-08 GRAD(Rho)z 0.1194774E-09 Laplacian 0.7786166E+00 (-1/4)Del**2(Rho)) -0.1946542E+00 Diamond 0.2074340E+01 Metallicity 0.5588223E+01 Ellipticity 0.2258379E-01 Gb(Abramov) 0.3110646E+00 Vb(Abramov) -0.4274750E+00 Hb(Abramov) -0.1164104E+00 Ex_ueg -0.8102874E-01 Ec_ueg -0.1109341E-01 Delta_ex -0.8855669E-01 Delta_ec 0.1818416E-01 Delta_et -0.2477048E+00 Pxc 0.7304221E+01 Qxc -0.4869992E+01 3,-1 107 3 -1 -2.804710 0.906543 1.673375 Rho 0.1838783E+00 |GRAD(Rho)| 0.3175870E-15 GRAD(Rho)x -0.3813681E-16 GRAD(Rho)y 0.3147981E-15 GRAD(Rho)z -0.1758440E-16 Laplacian 0.7448979E+00 (-1/4)Del**2(Rho)) -0.1862245E+00 Diamond 0.1883625E+01 Metallicity 0.5500478E+01 Ellipticity 0.3006215E-01 Gb(Abramov) 0.2948703E+00 Vb(Abramov) -0.4035160E+00 Hb(Abramov) -0.1086458E+00 Ex_ueg -0.7722518E-01 Ec_ueg -0.1064645E-01 Delta_ex -0.8382232E-01 Delta_ec 0.1733945E-01 Delta_et -0.2347180E+00 Pxc 0.7253608E+01 Qxc -0.4834198E+01 3,-1 108 3 +1 -1.770762 0.036012 2.461860 Rho 0.1158689E-01 |GRAD(Rho)| 0.8751537E-16 GRAD(Rho)x -0.6964448E-16 GRAD(Rho)y -0.3003576E-16 GRAD(Rho)z -0.4366279E-16 Laplacian 0.5652086E-01 (-1/4)Del**2(Rho)) -0.1413022E-01 Diamond 0.2175021E-02 Metallicity 0.7233513E+00 Ellipticity -0.1283521E+01 Gb(Abramov) 0.1112366E-01 Vb(Abramov) -0.8117108E-02 Hb(Abramov) 0.3006554E-02 Ex_ueg -0.1936456E-02 Ec_ueg -0.4405322E-03 Delta_ex -0.2757704E-02 Delta_ec 0.7425222E-03 Delta_et -0.5513148E-02 Pxc 0.4395720E+01 Qxc -0.3713969E+01 3,+1 109 3 +1 -0.147724 2.233612 1.991114 Rho 0.5288345E-02 |GRAD(Rho)| 0.4089978E-17 GRAD(Rho)x -0.2846329E-17 GRAD(Rho)y -0.1955392E-17 GRAD(Rho)z 0.2191524E-17 Laplacian 0.2203604E-01 (-1/4)Del**2(Rho)) -0.5509011E-02 Diamond 0.5379060E-03 Metallicity 0.5019716E+00 Ellipticity -0.2509900E+01 Gb(Abramov) 0.4133569E-02 Vb(Abramov) -0.2758126E-02 Hb(Abramov) 0.1375443E-02 Ex_ueg -0.6804738E-03 Ec_ueg -0.1593425E-03 Delta_ex -0.1093607E-02 Delta_ec 0.6689567E-03 Delta_et -0.3704667E-02 Pxc 0.4270511E+01 Qxc -0.1634794E+01 3,+1 110 3 +1 1.395359 -0.851772 -2.162034 Rho 0.2386053E-01 |GRAD(Rho)| 0.3609405E-16 GRAD(Rho)x -0.1351006E-16 GRAD(Rho)y 0.3204130E-16 GRAD(Rho)z -0.9675442E-17 Laplacian 0.9273783E-01 (-1/4)Del**2(Rho)) -0.2318446E-01 Diamond 0.1025483E-01 Metallicity 0.1469455E+01 Ellipticity -0.2400198E+01 Gb(Abramov) 0.2113439E-01 Vb(Abramov) -0.1908433E-01 Hb(Abramov) 0.2050065E-02 Ex_ueg -0.5073315E-02 Ec_ueg -0.1031516E-02 Delta_ex -0.5567040E-02 Delta_ec 0.1342590E-02 Delta_et -0.1177736E-01 Pxc 0.4918308E+01 Qxc -0.4146494E+01 3,+1 111 3 -1 0.870336 -0.677222 -3.489823 Rho 0.1514094E+00 |GRAD(Rho)| 0.4248358E-15 GRAD(Rho)x 0.2376842E-15 GRAD(Rho)y -0.3493299E-15 GRAD(Rho)z -0.4427441E-16 Laplacian 0.6046095E+00 (-1/4)Del**2(Rho)) -0.1511524E+00 Diamond 0.1235864E+01 Metallicity 0.4902221E+01 Ellipticity 0.6006741E-01 Gb(Abramov) 0.2242653E+00 Vb(Abramov) -0.2973782E+00 Hb(Abramov) -0.7311293E-01 Ex_ueg -0.5960127E-01 Ec_ueg -0.8533796E-02 Delta_ex -0.6504724E-01 Delta_ec 0.1524818E-01 Delta_et -0.2031140E+00 Pxc 0.6984144E+01 Qxc -0.4265901E+01 3,-1 112 3 -1 0.866590 -0.675362 3.480560 Rho 0.1488375E+00 |GRAD(Rho)| 0.2591827E-15 GRAD(Rho)x 0.7274997E-16 GRAD(Rho)y 0.2227493E-15 GRAD(Rho)z -0.1107513E-15 Laplacian 0.5977625E+00 (-1/4)Del**2(Rho)) -0.1494406E+00 Diamond 0.1195592E+01 Metallicity 0.4818797E+01 Ellipticity 0.5861296E-01 Gb(Abramov) 0.2196478E+00 Vb(Abramov) -0.2898549E+00 Hb(Abramov) -0.7020713E-01 Ex_ueg -0.5825524E-01 Ec_ueg -0.8369141E-02 Delta_ex -0.6402611E-01 Delta_ec 0.1511492E-01 Delta_et -0.2008061E+00 Pxc 0.6960719E+01 Qxc -0.4235953E+01 3,-1 113 3 +1 1.347117 -0.813125 2.189788 Rho 0.2512989E-01 |GRAD(Rho)| 0.2999280E-15 GRAD(Rho)x 0.2444314E-15 GRAD(Rho)y -0.1169515E-15 GRAD(Rho)z 0.1285785E-15 Laplacian 0.9705417E-01 (-1/4)Del**2(Rho)) -0.2426354E-01 Diamond 0.1233728E-01 Metallicity 0.1530794E+01 Ellipticity -0.3213724E+01 Gb(Abramov) 0.2236611E-01 Vb(Abramov) -0.2046868E-01 Hb(Abramov) 0.1897433E-02 Ex_ueg -0.5436332E-02 Ec_ueg -0.1095256E-02 Delta_ex -0.5996371E-02 Delta_ec 0.1560816E-02 Delta_et -0.1381474E-01 Pxc 0.4963524E+01 Qxc -0.3841817E+01 3,+1 114 3 -1 0.836690 0.737082 3.469151 Rho 0.1419393E+00 |GRAD(Rho)| 0.9478534E-12 GRAD(Rho)x -0.7020005E-12 GRAD(Rho)y -0.6209417E-12 GRAD(Rho)z 0.1416072E-12 Laplacian 0.5633146E+00 (-1/4)Del**2(Rho)) -0.1408287E+00 Diamond 0.1069074E+01 Metallicity 0.4724619E+01 Ellipticity 0.3816685E-01 Gb(Abramov) 0.2047794E+00 Vb(Abramov) -0.2687301E+00 Hb(Abramov) -0.6395074E-01 Ex_ueg -0.5468339E-01 Ec_ueg -0.7929529E-02 Delta_ex -0.5969038E-01 Delta_ec 0.1450374E-01 Delta_et -0.1915785E+00 Pxc 0.6896171E+01 Qxc -0.4115515E+01 3,-1 115 3 -1 0.463976 -0.029194 2.352137 Rho 0.4617914E-01 |GRAD(Rho)| 0.4166030E-14 GRAD(Rho)x -0.6173938E-15 GRAD(Rho)y 0.1038963E-14 GRAD(Rho)z 0.3986877E-14 Laplacian 0.1824384E+00 (-1/4)Del**2(Rho)) -0.4560961E-01 Diamond 0.8267391E-01 Metallicity 0.2245122E+01 Ellipticity 0.1194450E-01 Gb(Abramov) 0.4747293E-01 Vb(Abramov) -0.4933624E-01 Hb(Abramov) -0.1863317E-02 Ex_ueg -0.1223619E-01 Ec_ueg -0.2204785E-02 Delta_ex -0.1470415E-01 Delta_ec 0.5410422E-02 Delta_et -0.5586636E-01 Pxc 0.5549833E+01 Qxc -0.2717745E+01 3,-1 116 3 -1 0.838810 0.736764 -3.468959 Rho 0.1397853E+00 |GRAD(Rho)| 0.2572405E-15 GRAD(Rho)x 0.3545341E-16 GRAD(Rho)y 0.2543809E-15 GRAD(Rho)z -0.1435551E-16 Laplacian 0.5551536E+00 (-1/4)Del**2(Rho)) -0.1387884E+00 Diamond 0.1035101E+01 Metallicity 0.4673432E+01 Ellipticity 0.3727986E-01 Gb(Abramov) 0.2006286E+00 Vb(Abramov) -0.2624689E+00 Hb(Abramov) -0.6184023E-01 Ex_ueg -0.5357973E-01 Ec_ueg -0.7792869E-02 Delta_ex -0.5861438E-01 Delta_ec 0.1436055E-01 Delta_et -0.1892809E+00 Pxc 0.6875482E+01 Qxc -0.4081624E+01 3,-1 117 3 +1 1.324702 0.755555 -2.188371 Rho 0.2267639E-01 |GRAD(Rho)| 0.3615181E-16 GRAD(Rho)x 0.1235037E-16 GRAD(Rho)y 0.2915498E-16 GRAD(Rho)z -0.1744730E-16 Laplacian 0.8481183E-01 (-1/4)Del**2(Rho)) -0.2120296E-01 Diamond 0.9149991E-02 Metallicity 0.1476091E+01 Ellipticity -0.2933630E+01 Gb(Abramov) 0.1935155E-01 Vb(Abramov) -0.1750015E-01 Hb(Abramov) 0.1851402E-02 Ex_ueg -0.4740421E-02 Ec_ueg -0.9724508E-03 Delta_ex -0.5071691E-02 Delta_ec 0.1317937E-02 Delta_et -0.1139339E-01 Pxc 0.4874715E+01 Qxc -0.3848204E+01 3,+1 118 3 +3 0.019901 1.635352 -1.620833 Rho 0.4437010E-02 |GRAD(Rho)| 0.8435849E-16 GRAD(Rho)x 0.3701661E-16 GRAD(Rho)y -0.7503854E-16 GRAD(Rho)z 0.1073982E-16 Laplacian 0.1850208E-01 (-1/4)Del**2(Rho)) -0.4625520E-02 Diamond 0.1521182E-03 Metallicity 0.4462142E+00 Ellipticity -0.3355828E+00 Gb(Abramov) 0.3427675E-02 Vb(Abramov) -0.2229831E-02 Hb(Abramov) 0.1197845E-02 Ex_ueg -0.5384834E-03 Ec_ueg -0.1227661E-03 Delta_ex -0.6646278E-03 Delta_ec 0.1639233E-03 Delta_et -0.1030041E-02 Pxc 0.4386255E+01 Qxc -0.4054505E+01 3,+3 119 3 +3 1.120182 1.508049 0.003010 Rho 0.4213489E-02 |GRAD(Rho)| 0.2147298E-17 GRAD(Rho)x -0.1478060E-17 GRAD(Rho)y -0.1216335E-17 GRAD(Rho)z -0.9730139E-18 Laplacian 0.1712742E-01 (-1/4)Del**2(Rho)) -0.4281856E-02 Diamond 0.1080229E-03 Metallicity 0.4422395E+00 Ellipticity -0.1757859E+00 Gb(Abramov) 0.3170172E-02 Vb(Abramov) -0.2058487E-02 Hb(Abramov) 0.1111684E-02 Ex_ueg -0.5026212E-03 Ec_ueg -0.1132246E-03 Delta_ex -0.5800414E-03 Delta_ec 0.1033068E-03 Delta_et -0.7118672E-03 Pxc 0.4439151E+01 Qxc -0.5614743E+01 3,+3 120 3 +3 -0.001724 1.639187 1.611727 Rho 0.4285354E-02 |GRAD(Rho)| 0.3960792E-17 GRAD(Rho)x 0.1079228E-17 GRAD(Rho)y -0.3289871E-18 GRAD(Rho)z -0.3796697E-17 Laplacian 0.1778056E-01 (-1/4)Del**2(Rho)) -0.4445140E-02 Diamond 0.1376914E-03 Metallicity 0.4381730E+00 Ellipticity -0.3679733E+00 Gb(Abramov) 0.3288050E-02 Vb(Abramov) -0.2130960E-02 Hb(Abramov) 0.1157090E-02 Ex_ueg -0.5140839E-03 Ec_ueg -0.1162895E-03 Delta_ex -0.6310488E-03 Delta_ec 0.1539550E-03 Delta_et -0.9646368E-03 Pxc 0.4420725E+01 Qxc -0.4098918E+01 3,+3 121 3 +1 1.698752 0.777910 -0.007068 Rho 0.6545049E-02 |GRAD(Rho)| 0.1128049E-16 GRAD(Rho)x -0.3512254E-17 GRAD(Rho)y 0.1653080E-17 GRAD(Rho)z 0.1059155E-16 Laplacian 0.2613404E-01 (-1/4)Del**2(Rho)) -0.6533511E-02 Diamond 0.5245692E-03 Metallicity 0.6038486E+00 Ellipticity -0.1403208E+01 Gb(Abramov) 0.5013216E-02 Vb(Abramov) -0.3492921E-02 Hb(Abramov) 0.1520295E-02 Ex_ueg -0.9042092E-03 Ec_ueg -0.2139967E-03 Delta_ex -0.1142490E-02 Delta_ec 0.4165756E-03 Delta_et -0.2610164E-02 Pxc 0.4225341E+01 Qxc -0.2742576E+01 3,+1 122 3 +1 0.525575 1.541549 -0.837868 Rho 0.7730864E-02 |GRAD(Rho)| 0.2843161E-13 GRAD(Rho)x 0.7902262E-14 GRAD(Rho)y -0.2530436E-13 GRAD(Rho)z -0.1027619E-13 Laplacian 0.3196913E-01 (-1/4)Del**2(Rho)) -0.7992282E-02 Diamond 0.8049165E-03 Metallicity 0.6515220E+00 Ellipticity -0.1430908E+01 Gb(Abramov) 0.6196046E-02 Vb(Abramov) -0.4399810E-02 Hb(Abramov) 0.1796236E-02 Ex_ueg -0.1128987E-02 Ec_ueg -0.2662620E-03 Delta_ex -0.1455519E-02 Delta_ec 0.5100639E-03 Delta_et -0.3341326E-02 Pxc 0.4240138E+01 Qxc -0.2853602E+01 3,+1 123 3 +1 0.522243 1.548155 0.828917 Rho 0.7561628E-02 |GRAD(Rho)| 0.3365129E-13 GRAD(Rho)x 0.9310073E-14 GRAD(Rho)y -0.3001412E-13 GRAD(Rho)z 0.1203680E-13 Laplacian 0.3117293E-01 (-1/4)Del**2(Rho)) -0.7793233E-02 Diamond 0.7607770E-03 Metallicity 0.6439632E+00 Ellipticity -0.1424383E+01 Gb(Abramov) 0.6031915E-02 Vb(Abramov) -0.4270596E-02 Hb(Abramov) 0.1761319E-02 Ex_ueg -0.1096155E-02 Ec_ueg -0.2587628E-03 Delta_ex -0.1411155E-02 Delta_ec 0.4965535E-03 Delta_et -0.3234265E-02 Pxc 0.4236141E+01 Qxc -0.2841898E+01 3,+1 124 3 +1 -0.126921 2.207846 -1.982930 Rho 0.5389431E-02 |GRAD(Rho)| 0.7562706E-17 GRAD(Rho)x -0.5372827E-17 GRAD(Rho)y -0.4608770E-17 GRAD(Rho)z -0.2662047E-17 Laplacian 0.2240886E-01 (-1/4)Del**2(Rho)) -0.5602214E-02 Diamond 0.5757190E-03 Metallicity 0.5094462E+00 Ellipticity -0.3014512E+01 Gb(Abramov) 0.4210481E-02 Vb(Abramov) -0.2818747E-02 Hb(Abramov) 0.1391734E-02 Ex_ueg -0.6978718E-03 Ec_ueg -0.1637099E-03 Delta_ex -0.1128539E-02 Delta_ec 0.7021770E-03 Delta_et -0.3901597E-02 Pxc 0.4262856E+01 Qxc -0.1607200E+01 3,+1 125 3 -1 1.656656 -0.953867 -1.530621 Rho 0.3290180E-01 |GRAD(Rho)| 0.9941060E-14 GRAD(Rho)x -0.7042480E-14 GRAD(Rho)y 0.5065191E-14 GRAD(Rho)z 0.4855098E-14 Laplacian 0.1306595E+00 (-1/4)Del**2(Rho)) -0.3266487E-01 Diamond 0.3883541E-01 Metallicity 0.1781716E+01 Ellipticity 0.4167074E-01 Gb(Abramov) 0.3147650E-01 Vb(Abramov) -0.3028813E-01 Hb(Abramov) 0.1188371E-02 Ex_ueg -0.7786542E-02 Ec_ueg -0.1494234E-02 Delta_ex -0.9795948E-02 Delta_ec 0.4083969E-02 Delta_et -0.3848089E-01 Pxc 0.5211059E+01 Qxc -0.2398634E+01 3,-1 126 3 +1 1.782033 2.531037 0.005561 Rho 0.1240321E-01 |GRAD(Rho)| 0.4141107E-16 GRAD(Rho)x -0.2806497E-16 GRAD(Rho)y 0.1013716E-16 GRAD(Rho)z -0.2871362E-16 Laplacian 0.6216380E-01 (-1/4)Del**2(Rho)) -0.1554095E-01 Diamond 0.2570064E-02 Metallicity 0.7367146E+00 Ellipticity -0.1246355E+01 Gb(Abramov) 0.1226884E-01 Vb(Abramov) -0.8996732E-02 Hb(Abramov) 0.3272109E-02 Ex_ueg -0.2120463E-02 Ec_ueg -0.4782146E-03 Delta_ex -0.3072355E-02 Delta_ec 0.7889274E-03 Delta_et -0.5977128E-02 Pxc 0.4434124E+01 Qxc -0.3894345E+01 3,+1 127 3 -1 3.254816 -2.318625 -2.213983 Rho 0.2198901E+00 |GRAD(Rho)| 0.6494818E-14 GRAD(Rho)x 0.5310422E-15 GRAD(Rho)y -0.3282259E-14 GRAD(Rho)z -0.5579196E-14 Laplacian 0.7940226E+00 (-1/4)Del**2(Rho)) -0.1985057E+00 Diamond 0.2542378E+01 Metallicity 0.6952211E+01 Ellipticity 0.1561411E-01 Gb(Abramov) 0.3623460E+00 Vb(Abramov) -0.5261863E+00 Hb(Abramov) -0.1638403E+00 Ex_ueg -0.9802252E-01 Ec_ueg -0.1306006E-01 Delta_ex -0.9386554E-01 Delta_ec 0.1815046E-01 Delta_et -0.2510402E+00 Pxc 0.7505519E+01 Qxc -0.5171525E+01 3,-1 128 3 -1 -2.761224 -0.927543 1.652827 Rho 0.6981443E-01 |GRAD(Rho)| 0.3076257E-15 GRAD(Rho)x -0.1872443E-15 GRAD(Rho)y 0.1737010E-15 GRAD(Rho)z 0.1714675E-15 Laplacian 0.2894243E+00 (-1/4)Del**2(Rho)) -0.7235606E-01 Diamond 0.2323096E+00 Metallicity 0.2818298E+01 Ellipticity 0.4966846E-02 Gb(Abramov) 0.8222420E-01 Vb(Abramov) -0.9209234E-01 Hb(Abramov) -0.9868138E-02 Ex_ueg -0.2123140E-01 Ec_ueg -0.3536356E-02 Delta_ex -0.2597513E-01 Delta_ec 0.8667005E-02 Delta_et -0.9950915E-01 Pxc 0.6003752E+01 Qxc -0.2997013E+01 3,-1 129 3 -1 -0.508669 2.396946 -0.005133 Rho 0.3439992E-01 |GRAD(Rho)| 0.5910542E-16 GRAD(Rho)x -0.7051920E-17 GRAD(Rho)y -0.5860684E-16 GRAD(Rho)z 0.2993060E-17 Laplacian 0.1410629E+00 (-1/4)Del**2(Rho)) -0.3526574E-01 Diamond 0.4399149E-01 Metallicity 0.1777444E+01 Ellipticity 0.1209809E-01 Gb(Abramov) 0.3395763E-01 Vb(Abramov) -0.3264953E-01 Hb(Abramov) 0.1308103E-02 Ex_ueg -0.8262819E-02 Ec_ueg -0.1572714E-02 Delta_ex -0.1065133E-01 Delta_ec 0.4338289E-02 Delta_et -0.4138430E-01 Pxc 0.5253860E+01 Qxc -0.2455192E+01 3,-1 130 3 -1 0.565733 3.258546 0.683385 Rho 0.1298521E+00 |GRAD(Rho)| 0.2167228E-15 GRAD(Rho)x 0.1717918E-15 GRAD(Rho)y -0.9536913E-16 GRAD(Rho)z 0.9143890E-16 Laplacian 0.5395351E+00 (-1/4)Del**2(Rho)) -0.1348838E+00 Diamond 0.9105838E+00 Metallicity 0.4252801E+01 Ellipticity 0.1552503E-01 Gb(Abramov) 0.1855282E+00 Vb(Abramov) -0.2361726E+00 Hb(Abramov) -0.5064439E-01 Ex_ueg -0.4856429E-01 Ec_ueg -0.7166522E-02 Delta_ex -0.5583509E-01 Delta_ec 0.1398805E-01 Delta_et -0.1818414E+00 Pxc 0.6776549E+01 Qxc -0.3991628E+01 3,-1 131 3 -1 0.565702 3.254525 -0.677278 Rho 0.1319362E+00 |GRAD(Rho)| 0.4347585E-15 GRAD(Rho)x -0.2461817E-15 GRAD(Rho)y 0.3367803E-16 GRAD(Rho)z 0.3567567E-15 Laplacian 0.5498873E+00 (-1/4)Del**2(Rho)) -0.1374718E+00 Diamond 0.9445937E+00 Metallicity 0.4284952E+01 Ellipticity 0.1655484E-01 Gb(Abramov) 0.1898246E+00 Vb(Abramov) -0.2421774E+00 Hb(Abramov) -0.5235276E-01 Ex_ueg -0.4960631E-01 Ec_ueg -0.7297403E-02 Delta_ex -0.5710973E-01 Delta_ec 0.1417261E-01 Delta_et -0.1846493E+00 Pxc 0.6797804E+01 Qxc -0.4029583E+01 3,-1 132 3 -1 1.686272 0.818363 -1.552076 Rho 0.3041334E-01 |GRAD(Rho)| 0.1498030E-14 GRAD(Rho)x 0.9311966E-15 GRAD(Rho)y 0.1011644E-14 GRAD(Rho)z -0.5945931E-15 Laplacian 0.1141543E+00 (-1/4)Del**2(Rho)) -0.2853858E-01 Diamond 0.2808785E-01 Metallicity 0.1788797E+01 Ellipticity 0.5060437E-01 Gb(Abramov) 0.2753401E-01 Vb(Abramov) -0.2652944E-01 Hb(Abramov) 0.1004571E-02 Ex_ueg -0.7011387E-02 Ec_ueg -0.1364948E-02 Delta_ex -0.8197101E-02 Delta_ec 0.3210640E-02 Delta_et -0.2960981E-01 Pxc 0.5136744E+01 Qxc -0.2553105E+01 3,-1 133 3 -1 1.686613 0.822281 1.543442 Rho 0.3025530E-01 |GRAD(Rho)| 0.4718635E-13 GRAD(Rho)x -0.1455583E-13 GRAD(Rho)y 0.4465336E-13 GRAD(Rho)z -0.4555992E-14 Laplacian 0.1135395E+00 (-1/4)Del**2(Rho)) -0.2838488E-01 Diamond 0.2765992E-01 Metallicity 0.1782933E+01 Ellipticity 0.6082261E-01 Gb(Abramov) 0.2735798E-01 Vb(Abramov) -0.2633108E-01 Hb(Abramov) 0.1026903E-02 Ex_ueg -0.6962848E-02 Ec_ueg -0.1356783E-02 Delta_ex -0.8135850E-02 Delta_ec 0.3181514E-02 Delta_et -0.2929986E-01 Pxc 0.5131880E+01 Qxc -0.2557226E+01 3,-1 134 3 -1 1.987672 1.545636 -2.695628 Rho 0.1398654E+00 |GRAD(Rho)| 0.1531943E-15 GRAD(Rho)x -0.6688172E-16 GRAD(Rho)y 0.4413719E-16 GRAD(Rho)z 0.1305650E-15 Laplacian 0.5528619E+00 (-1/4)Del**2(Rho)) -0.1382155E+00 Diamond 0.1035075E+01 Metallicity 0.4697284E+01 Ellipticity 0.2833221E-01 Gb(Abramov) 0.2003499E+00 Vb(Abramov) -0.2624843E+00 Hb(Abramov) -0.6213440E-01 Ex_ueg -0.5362064E-01 Ec_ueg -0.7797942E-02 Delta_ex -0.5841924E-01 Delta_ec 0.1436836E-01 Delta_et -0.1895437E+00 Pxc 0.6876255E+01 Qxc -0.4065824E+01 3,-1 135 3 -1 1.985359 1.547145 2.692101 Rho 0.1374592E+00 |GRAD(Rho)| 0.1401100E-13 GRAD(Rho)x 0.1110536E-13 GRAD(Rho)y 0.8537184E-14 GRAD(Rho)z -0.3089434E-15 Laplacian 0.5441761E+00 (-1/4)Del**2(Rho)) -0.1360440E+00 Diamond 0.9969779E+00 Metallicity 0.4636215E+01 Ellipticity 0.2679953E-01 Gb(Abramov) 0.1958176E+00 Vb(Abramov) -0.2555911E+00 Hb(Abramov) -0.5977355E-01 Ex_ueg -0.5239425E-01 Ec_ueg -0.7645624E-02 Delta_ex -0.5725046E-01 Delta_ec 0.1418587E-01 Delta_et -0.1866049E+00 Pxc 0.6852842E+01 Qxc -0.4035737E+01 3,-1 136 3 -1 2.805710 -1.714700 0.857815 Rho 0.1433333E+00 |GRAD(Rho)| 0.7611401E-13 GRAD(Rho)x -0.5011419E-13 GRAD(Rho)y -0.4978073E-13 GRAD(Rho)z 0.2835118E-13 Laplacian 0.5829782E+00 (-1/4)Del**2(Rho)) -0.1457445E+00 Diamond 0.1126564E+01 Metallicity 0.4640227E+01 Ellipticity 0.9860652E-02 Gb(Abramov) 0.2098777E+00 Vb(Abramov) -0.2740108E+00 Hb(Abramov) -0.6413312E-01 Ex_ueg -0.5540060E-01 Ec_ueg -0.8018123E-02 Delta_ex -0.6199675E-01 Delta_ec 0.1510847E-01 Delta_et -0.2001443E+00 Pxc 0.6909422E+01 Qxc -0.4103444E+01 3,-1 137 3 -1 2.965030 -0.818377 1.974502 Rho 0.8575026E-01 |GRAD(Rho)| 0.3403800E-15 GRAD(Rho)x 0.2378977E-16 GRAD(Rho)y 0.3376104E-15 GRAD(Rho)z 0.3621913E-16 Laplacian 0.3483982E+00 (-1/4)Del**2(Rho)) -0.8709956E-01 Diamond 0.3569703E+00 Metallicity 0.3298093E+01 Ellipticity 0.1516228E-02 Gb(Abramov) 0.1059435E+00 Vb(Abramov) -0.1247873E+00 Hb(Abramov) -0.1884389E-01 Ex_ueg -0.2792751E-01 Ec_ueg -0.4470269E-02 Delta_ex -0.3270981E-01 Delta_ec 0.9933821E-02 Delta_et -0.1194206E+00 Pxc 0.6247390E+01 Qxc -0.3292772E+01 3,-1 138 3 -1 1.911118 -2.539354 -1.653966 Rho 0.2257215E+00 |GRAD(Rho)| 0.1602577E-15 GRAD(Rho)x 0.7583994E-16 GRAD(Rho)y 0.9822872E-16 GRAD(Rho)z -0.1014000E-15 Laplacian 0.8574806E+00 (-1/4)Del**2(Rho)) -0.2143702E+00 Diamond 0.2795766E+01 Metallicity 0.6724763E+01 Ellipticity 0.1948781E-01 Gb(Abramov) 0.3831782E+00 Vb(Abramov) -0.5519862E+00 Hb(Abramov) -0.1688080E+00 Ex_ueg -0.1015038E+00 Ec_ueg -0.1345767E-01 Delta_ex -0.1018383E+00 Delta_ec 0.1906728E-01 Delta_et -0.2625441E+00 Pxc 0.7542450E+01 Qxc -0.5340999E+01 3,-1 139 3 -1 2.832156 1.745728 -0.874721 Rho 0.1389223E+00 |GRAD(Rho)| 0.3723994E-09 GRAD(Rho)x 0.8747536E-10 GRAD(Rho)y 0.7743030E-12 GRAD(Rho)z 0.3619790E-09 Laplacian 0.5821218E+00 (-1/4)Del**2(Rho)) -0.1455304E+00 Diamond 0.1080273E+01 Metallicity 0.4411159E+01 Ellipticity 0.1461835E-01 Gb(Abramov) 0.2040133E+00 Vb(Abramov) -0.2624961E+00 Hb(Abramov) -0.5848284E-01 Ex_ueg -0.5313913E-01 Ec_ueg -0.7738199E-02 Delta_ex -0.6140159E-01 Delta_ec 0.1513865E-01 Delta_et -0.1994680E+00 Pxc 0.6867119E+01 Qxc -0.4055948E+01 3,-1 140 3 -1 2.830540 1.749850 0.873117 Rho 0.1424605E+00 |GRAD(Rho)| 0.8868146E-13 GRAD(Rho)x 0.6760318E-13 GRAD(Rho)y -0.4858169E-13 GRAD(Rho)z -0.3056192E-13 Laplacian 0.5972537E+00 (-1/4)Del**2(Rho)) -0.1493134E+00 Diamond 0.1140920E+01 Metallicity 0.4483443E+01 Ellipticity 0.1464803E-01 Gb(Abramov) 0.2111153E+00 Vb(Abramov) -0.2729172E+00 Hb(Abramov) -0.6180190E-01 Ex_ueg -0.5495126E-01 Ec_ueg -0.7962637E-02 Delta_ex -0.6336926E-01 Delta_ec 0.1541019E-01 Delta_et -0.2037614E+00 Pxc 0.6901138E+01 Qxc -0.4112167E+01 3,-1 141 3 -1 3.219230 2.346441 -2.239482 Rho 0.2377192E+00 |GRAD(Rho)| 0.6083061E-08 GRAD(Rho)x -0.4058392E-08 GRAD(Rho)y -0.3886338E-08 GRAD(Rho)z 0.2330121E-08 Laplacian 0.8543004E+00 (-1/4)Del**2(Rho)) -0.2135751E+00 Diamond 0.2999557E+01 Metallicity 0.7358282E+01 Ellipticity 0.8254270E-02 Gb(Abramov) 0.4043077E+00 Vb(Abramov) -0.5950403E+00 Hb(Abramov) -0.1907326E+00 Ex_ueg -0.1087604E+00 Ec_ueg -0.1428159E-01 Delta_ex -0.1030282E+00 Delta_ec 0.1904751E-01 Delta_et -0.2642842E+00 Pxc 0.7615425E+01 Qxc -0.5409009E+01 3,-1 142 3 -1 3.217673 2.350267 2.236972 Rho 0.2381528E+00 |GRAD(Rho)| 0.5669058E-14 GRAD(Rho)x 0.5599742E-14 GRAD(Rho)y 0.8837874E-15 GRAD(Rho)z 0.5475221E-17 Laplacian 0.8547456E+00 (-1/4)Del**2(Rho)) -0.2136864E+00 Diamond 0.3007574E+01 Metallicity 0.7376821E+01 Ellipticity 0.7488211E-02 Gb(Abramov) 0.4051787E+00 Vb(Abramov) -0.5966709E+00 Hb(Abramov) -0.1914923E+00 Ex_ueg -0.1090250E+00 Ec_ueg -0.1431152E-01 Delta_ex -0.1031301E+00 Delta_ec 0.1904592E-01 Delta_et -0.2642753E+00 Pxc 0.7617990E+01 Qxc -0.5414814E+01 3,-1 143 3 -1 2.800714 -1.724065 -0.864183 Rho 0.1302260E+00 |GRAD(Rho)| 0.5370289E-15 GRAD(Rho)x 0.2247145E-15 GRAD(Rho)y 0.8092892E-16 GRAD(Rho)z 0.4809927E-15 Laplacian 0.5278622E+00 (-1/4)Del**2(Rho)) -0.1319656E+00 Diamond 0.8997770E+00 Metallicity 0.4367726E+01 Ellipticity 0.7722327E-02 Gb(Abramov) 0.1840419E+00 Vb(Abramov) -0.2361183E+00 Hb(Abramov) -0.5207637E-01 Ex_ueg -0.4875082E-01 Ec_ueg -0.7189981E-02 Delta_ex -0.5473497E-01 Delta_ec 0.1380074E-01 Delta_et -0.1797250E+00 Pxc 0.6780382E+01 Qxc -0.3966089E+01 3,-1 144 3 -1 1.656357 -0.943331 1.520123 Rho 0.3550075E-01 |GRAD(Rho)| 0.2050284E-15 GRAD(Rho)x 0.4243974E-16 GRAD(Rho)y 0.1248675E-16 GRAD(Rho)z 0.2001989E-15 Laplacian 0.1346315E+00 (-1/4)Del**2(Rho)) -0.3365787E-01 Diamond 0.4251143E-01 Metallicity 0.1962738E+01 Ellipticity 0.3353899E-01 Gb(Abramov) 0.3344885E-01 Vb(Abramov) -0.3323982E-01 Hb(Abramov) 0.2090275E-03 Ex_ueg -0.8617244E-02 Ec_ueg -0.1630679E-02 Delta_ex -0.1015478E-01 Delta_ec 0.3980516E-02 Delta_et -0.3829643E-01 Pxc 0.5284452E+01 Qxc -0.2551123E+01 3,-1 145 3 -1 -2.111194 -2.927930 1.684741 Rho 0.2334859E+00 |GRAD(Rho)| 0.2960912E-10 GRAD(Rho)x -0.1177054E-10 GRAD(Rho)y 0.2716465E-10 GRAD(Rho)z 0.4863994E-12 Laplacian 0.8917955E+00 (-1/4)Del**2(Rho)) -0.2229489E+00 Diamond 0.3017831E+01 Metallicity 0.6840938E+01 Ellipticity 0.1036755E-01 Gb(Abramov) 0.4028292E+00 Vb(Abramov) -0.5827094E+00 Hb(Abramov) -0.1798803E+00 Ex_ueg -0.1061857E+00 Ec_ueg -0.1398997E-01 Delta_ex -0.1067919E+00 Delta_ec 0.1953102E-01 Delta_et -0.2688519E+00 Pxc 0.7590126E+01 Qxc -0.5467809E+01 3,-1 146 3 -1 -2.112227 -2.913064 -1.689168 Rho 0.2318097E+00 |GRAD(Rho)| 0.5889234E-14 GRAD(Rho)x 0.4112867E-14 GRAD(Rho)y -0.4739048E-15 GRAD(Rho)z 0.4188415E-14 Laplacian 0.8922108E+00 (-1/4)Del**2(Rho)) -0.2230527E+00 Diamond 0.2987725E+01 Metallicity 0.6756137E+01 Ellipticity 0.1199600E-01 Gb(Abramov) 0.3998642E+00 Vb(Abramov) -0.5766758E+00 Hb(Abramov) -0.1768115E+00 Ex_ueg -0.1051705E+00 Ec_ueg -0.1387478E-01 Delta_ex -0.1066106E+00 Delta_ec 0.1952745E-01 Delta_et -0.2685020E+00 Pxc 0.7579976E+01 Qxc -0.5459525E+01 3,-1 147 3 -1 -1.981547 2.695157 1.516431 Rho 0.1089371E+00 |GRAD(Rho)| 0.3033836E-14 GRAD(Rho)x 0.3000685E-14 GRAD(Rho)y -0.2647418E-15 GRAD(Rho)z -0.3604989E-15 Laplacian 0.4318757E+00 (-1/4)Del**2(Rho)) -0.1079689E+00 Diamond 0.5899046E+00 Metallicity 0.3964733E+01 Ellipticity 0.2206804E-01 Gb(Abramov) 0.1433240E+00 Vb(Abramov) -0.1786790E+00 Hb(Abramov) -0.3535502E-01 Ex_ueg -0.3842549E-01 Ec_ueg -0.5869538E-02 Delta_ex -0.4285402E-01 Delta_ec 0.1166175E-01 Delta_et -0.1470616E+00 Pxc 0.6546595E+01 Qxc -0.3674752E+01 3,-1 148 3 +1 -2.012037 2.918607 0.007541 Rho 0.1236381E-01 |GRAD(Rho)| 0.3912893E-14 GRAD(Rho)x -0.1877980E-14 GRAD(Rho)y -0.4132063E-15 GRAD(Rho)z 0.3407812E-14 Laplacian 0.5806024E-01 (-1/4)Del**2(Rho)) -0.1451506E-01 Diamond 0.2070721E-02 Metallicity 0.7846117E+00 Ellipticity -0.1190171E+01 Gb(Abramov) 0.1157482E-01 Vb(Abramov) -0.8634582E-02 Hb(Abramov) 0.2940239E-02 Ex_ueg -0.2111485E-02 Ec_ueg -0.4763896E-03 Delta_ex -0.2778474E-02 Delta_ec 0.5785763E-03 Delta_et -0.4502460E-02 Pxc 0.4432266E+01 Qxc -0.4802260E+01 3,+1 149 3 -1 -0.828584 3.527283 -0.706842 Rho 0.1427048E+00 |GRAD(Rho)| 0.9789309E-12 GRAD(Rho)x 0.6779165E-12 GRAD(Rho)y 0.5589045E-12 GRAD(Rho)z 0.4316951E-12 Laplacian 0.5591785E+00 (-1/4)Del**2(Rho)) -0.1397946E+00 Diamond 0.1057569E+01 Metallicity 0.4802423E+01 Ellipticity 0.5081906E-01 Gb(Abramov) 0.2050886E+00 Vb(Abramov) -0.2703825E+00 Hb(Abramov) -0.6529394E-01 Ex_ueg -0.5507695E-01 Ec_ueg -0.7978165E-02 Delta_ex -0.5921779E-01 Delta_ec 0.1417811E-01 Delta_et -0.1869977E+00 Pxc 0.6903461E+01 Qxc -0.4176706E+01 3,-1 150 3 -1 -0.826105 3.531803 0.703833 Rho 0.1462469E+00 |GRAD(Rho)| 0.1912764E-15 GRAD(Rho)x -0.1687832E-15 GRAD(Rho)y 0.7850132E-16 GRAD(Rho)z -0.4400506E-16 Laplacian 0.5715887E+00 (-1/4)Del**2(Rho)) -0.1428972E+00 Diamond 0.1113360E+01 Metallicity 0.4894115E+01 Ellipticity 0.5279296E-01 Gb(Abramov) 0.2118240E+00 Vb(Abramov) -0.2807508E+00 Hb(Abramov) -0.6892680E-01 Ex_ueg -0.5690722E-01 Ec_ueg -0.8203698E-02 Delta_ex -0.6089720E-01 Delta_ec 0.1440534E-01 Delta_et -0.1906595E+00 Pxc 0.6936777E+01 Qxc -0.4227403E+01 3,-1 151 3 -1 1.996704 -1.542543 -2.690439 Rho 0.1164979E+00 |GRAD(Rho)| 0.1322877E-15 GRAD(Rho)x 0.3968180E-16 GRAD(Rho)y -0.4630899E-16 GRAD(Rho)z -0.1173920E-15 Laplacian 0.4466790E+00 (-1/4)Del**2(Rho)) -0.1116698E+00 Diamond 0.6714559E+00 Metallicity 0.4286940E+01 Ellipticity 0.2550767E-01 Gb(Abramov) 0.1542334E+00 Vb(Abramov) -0.1967971E+00 Hb(Abramov) -0.4256368E-01 Ex_ueg -0.4202189E-01 Ec_ueg -0.6334842E-02 Delta_ex -0.4517387E-01 Delta_ec 0.1212581E-01 Delta_et -0.1551751E+00 Pxc 0.6633455E+01 Qxc -0.3725431E+01 3,-1 152 3 -1 1.992531 -1.535092 2.686968 Rho 0.1270725E+00 |GRAD(Rho)| 0.1039834E-14 GRAD(Rho)x 0.6789816E-16 GRAD(Rho)y 0.1782699E-15 GRAD(Rho)z 0.1022186E-14 Laplacian 0.4939649E+00 (-1/4)Del**2(Rho)) -0.1234912E+00 Diamond 0.8310665E+00 Metallicity 0.4480602E+01 Ellipticity 0.2084124E-01 Gb(Abramov) 0.1745467E+00 Vb(Abramov) -0.2256021E+00 Hb(Abramov) -0.5105544E-01 Ex_ueg -0.4718318E-01 Ec_ueg -0.6992413E-02 Delta_ex -0.5108633E-01 Delta_ec 0.1329005E-01 Delta_et -0.1729260E+00 Pxc 0.6747768E+01 Qxc -0.3843954E+01 3,-1 153 3 -1 -0.567518 -0.678190 -3.205767 Rho 0.1480760E+00 |GRAD(Rho)| 0.3656748E-15 GRAD(Rho)x 0.1972841E-15 GRAD(Rho)y 0.3078863E-15 GRAD(Rho)z -0.1755052E-17 Laplacian 0.6294076E+00 (-1/4)Del**2(Rho)) -0.1573519E+00 Diamond 0.1252095E+01 Metallicity 0.4537559E+01 Ellipticity 0.1941666E-01 Gb(Abramov) 0.2239002E+00 Vb(Abramov) -0.2904485E+00 Hb(Abramov) -0.6654828E-01 Ex_ueg -0.5785816E-01 Ec_ueg -0.8320464E-02 Delta_ex -0.6734022E-01 Delta_ec 0.1595243E-01 Delta_et -0.2118196E+00 Pxc 0.6953718E+01 Qxc -0.4221315E+01 3,-1 154 3 -1 -0.570176 -0.669750 3.195560 Rho 0.1471890E+00 |GRAD(Rho)| 0.4796242E-15 GRAD(Rho)x -0.1618172E-15 GRAD(Rho)y 0.4365811E-15 GRAD(Rho)z 0.1151152E-15 Laplacian 0.6266724E+00 (-1/4)Del**2(Rho)) -0.1566681E+00 Diamond 0.1237818E+01 Metallicity 0.4511956E+01 Ellipticity 0.1782725E-01 Gb(Abramov) 0.2222587E+00 Vb(Abramov) -0.2878492E+00 Hb(Abramov) -0.6559056E-01 Ex_ueg -0.5739652E-01 Ec_ueg -0.8263813E-02 Delta_ex -0.6695006E-01 Delta_ec 0.1590909E-01 Delta_et -0.2110709E+00 Pxc 0.6945525E+01 Qxc -0.4208288E+01 3,-1 155 3 -1 0.067886 4.534969 -0.003010 Rho 0.2254392E+00 |GRAD(Rho)| 0.3905809E-10 GRAD(Rho)x 0.7431260E-11 GRAD(Rho)y 0.3834443E-10 GRAD(Rho)z -0.1240700E-12 Laplacian 0.8076437E+00 (-1/4)Del**2(Rho)) -0.2019109E+00 Diamond 0.2665201E+01 Metallicity 0.7124850E+01 Ellipticity 0.8719783E-03 Gb(Abramov) 0.3743715E+00 Vb(Abramov) -0.5468320E+00 Hb(Abramov) -0.1724605E+00 Ex_ueg -0.1013346E+00 Ec_ueg -0.1343838E-01 Delta_ex -0.9609593E-01 Delta_ec 0.1833634E-01 Delta_et -0.2539933E+00 Pxc 0.7540685E+01 Qxc -0.5240736E+01 3,-1 156 3 -1 -0.558880 0.712093 -3.212318 Rho 0.1415205E+00 |GRAD(Rho)| 0.2560755E-12 GRAD(Rho)x 0.1750623E-12 GRAD(Rho)y -0.1627381E-12 GRAD(Rho)z -0.9189206E-13 Laplacian 0.5913916E+00 (-1/4)Del**2(Rho)) -0.1478479E+00 Diamond 0.1116147E+01 Metallicity 0.4478201E+01 Ellipticity 0.1021779E-01 Gb(Abramov) 0.2089140E+00 Vb(Abramov) -0.2699801E+00 Hb(Abramov) -0.6106613E-01 Ex_ueg -0.5446834E-01 Ec_ueg -0.7902932E-02 Delta_ex -0.6259628E-01 Delta_ec 0.1519470E-01 Delta_et -0.2005261E+00 Pxc 0.6892168E+01 Qxc -0.4119614E+01 3,-1 157 3 -1 -0.561251 0.720681 3.224119 Rho 0.1435591E+00 |GRAD(Rho)| 0.7554328E-15 GRAD(Rho)x -0.4668439E-15 GRAD(Rho)y 0.5669158E-15 GRAD(Rho)z -0.1770367E-15 Laplacian 0.5968096E+00 (-1/4)Del**2(Rho)) -0.1492024E+00 Diamond 0.1145842E+01 Metallicity 0.4544594E+01 Ellipticity 0.1257884E-01 Gb(Abramov) 0.2124790E+00 Vb(Abramov) -0.2757556E+00 Hb(Abramov) -0.6327659E-01 Ex_ueg -0.5551699E-01 Ec_ueg -0.8032485E-02 Delta_ex -0.6339028E-01 Delta_ec 0.1527933E-01 Delta_et -0.2020662E+00 Pxc 0.6911558E+01 Qxc -0.4148761E+01 3,-1 158 3 -1 1.829225 2.376280 -1.558901 Rho 0.1352105E+00 |GRAD(Rho)| 0.7841740E-12 GRAD(Rho)x 0.5735834E-12 GRAD(Rho)y -0.4774504E-12 GRAD(Rho)z -0.2407738E-12 Laplacian 0.5694090E+00 (-1/4)Del**2(Rho)) -0.1423522E+00 Diamond 0.1016092E+01 Metallicity 0.4310616E+01 Ellipticity 0.1075552E-01 Gb(Abramov) 0.1971725E+00 Vb(Abramov) -0.2519927E+00 Hb(Abramov) -0.5482024E-01 Ex_ueg -0.5125452E-01 Ec_ueg -0.7503603E-02 Delta_ex -0.5959006E-01 Delta_ec 0.1476711E-01 Delta_et -0.1934839E+00 Pxc 0.6830654E+01 Qxc -0.4035323E+01 3,-1 159 3 -1 1.827318 2.384853 1.561864 Rho 0.1386303E+00 |GRAD(Rho)| 0.1408751E-15 GRAD(Rho)x -0.1071734E-15 GRAD(Rho)y 0.5345117E-16 GRAD(Rho)z -0.7417976E-16 Laplacian 0.5831331E+00 (-1/4)Del**2(Rho)) -0.1457833E+00 Diamond 0.1071788E+01 Metallicity 0.4388093E+01 Ellipticity 0.1014607E-01 Gb(Abramov) 0.2038073E+00 Vb(Abramov) -0.2618313E+00 Hb(Abramov) -0.5802401E-01 Ex_ueg -0.5299026E-01 Ec_ueg -0.7719712E-02 Delta_ex -0.6139239E-01 Delta_ec 0.1502195E-01 Delta_et -0.1975587E+00 Pxc 0.6864279E+01 Qxc -0.4086846E+01 3,-1 160 3 -1 -1.973423 2.693741 -1.504289 Rho 0.1201456E+00 |GRAD(Rho)| 0.8462833E-13 GRAD(Rho)x 0.8375069E-14 GRAD(Rho)y -0.1916066E-13 GRAD(Rho)z 0.8200416E-13 Laplacian 0.4802135E+00 (-1/4)Del**2(Rho)) -0.1200534E+00 Diamond 0.7452242E+00 Metallicity 0.4197831E+01 Ellipticity 0.1783941E-01 Gb(Abramov) 0.1640296E+00 Vb(Abramov) -0.2080057E+00 Hb(Abramov) -0.4397617E-01 Ex_ueg -0.4378533E-01 Ec_ueg -0.6560795E-02 Delta_ex -0.4887008E-01 Delta_ec 0.1284982E-01 Delta_et -0.1651899E+00 Pxc 0.6673785E+01 Qxc -0.3803172E+01 3,-1 161 3 +3 -1.811551 2.607065 0.014674 Rho 0.1176458E-01 |GRAD(Rho)| 0.1150476E-13 GRAD(Rho)x -0.7826587E-14 GRAD(Rho)y 0.3300617E-14 GRAD(Rho)z -0.7759502E-14 Laplacian 0.5305922E-01 (-1/4)Del**2(Rho)) -0.1326480E-01 Diamond 0.1048157E-02 Metallicity 0.7903381E+00 Ellipticity -0.5402165E+00 Gb(Abramov) 0.1059048E-01 Vb(Abramov) -0.7916162E-02 Hb(Abramov) 0.2674321E-02 Ex_ueg -0.1976151E-02 Ec_ueg -0.4487121E-03 Delta_ex -0.2291581E-02 Delta_ec 0.1478554E-03 Delta_et -0.1523271E-02 Pxc 0.4404052E+01 Qxc -0.1549880E+02 3,+3 162 3 -1 -0.055603 0.003111 4.472669 Rho 0.2387259E+00 |GRAD(Rho)| 0.4439973E-15 GRAD(Rho)x -0.3821813E-17 GRAD(Rho)y 0.1397604E-18 GRAD(Rho)z 0.4439808E-15 Laplacian 0.8787304E+00 (-1/4)Del**2(Rho)) -0.2196826E+00 Diamond 0.3081503E+01 Metallicity 0.7204274E+01 Ellipticity 0.1352456E-02 Gb(Abramov) 0.4102307E+00 Vb(Abramov) -0.6007788E+00 Hb(Abramov) -0.1905481E+00 Ex_ueg -0.1093750E+00 Ec_ueg -0.1435109E-01 Delta_ex -0.1059864E+00 Delta_ec 0.1938059E-01 Delta_et -0.2681338E+00 Pxc 0.7621371E+01 Qxc -0.5468685E+01 3,-1 163 3 -1 -0.052053 0.008276 -4.472626 Rho 0.2382797E+00 |GRAD(Rho)| 0.6033343E-15 GRAD(Rho)x 0.1498096E-15 GRAD(Rho)y 0.1379181E-16 GRAD(Rho)z 0.5842766E-15 Laplacian 0.8797243E+00 (-1/4)Del**2(Rho)) -0.2199311E+00 Diamond 0.3076416E+01 Metallicity 0.7173727E+01 Ellipticity 0.1454358E-02 Gb(Abramov) 0.4095750E+00 Vb(Abramov) -0.5992189E+00 Hb(Abramov) -0.1896439E+00 Ex_ueg -0.1091024E+00 Ec_ueg -0.1432027E-01 Delta_ex -0.1060456E+00 Delta_ec 0.1939761E-01 Delta_et -0.2682832E+00 Pxc 0.7618739E+01 Qxc -0.5466944E+01 3,-1 164 3 -1 0.464231 -0.032259 -2.357305 Rho 0.4760636E-01 |GRAD(Rho)| 0.5338186E-15 GRAD(Rho)x 0.1520011E-15 GRAD(Rho)y 0.1088310E-15 GRAD(Rho)z 0.5000137E-15 Laplacian 0.1888877E+00 (-1/4)Del**2(Rho)) -0.4722191E-01 Diamond 0.8938049E-01 Metallicity 0.2281312E+01 Ellipticity 0.1254272E-01 Gb(Abramov) 0.4943593E-01 Vb(Abramov) -0.5164994E-01 Hb(Abramov) -0.2214012E-02 Ex_ueg -0.1274300E-01 Ec_ueg -0.2282996E-02 Delta_ex -0.1534834E-01 Delta_ec 0.5614187E-02 Delta_et -0.5844026E-01 Pxc 0.5581702E+01 Qxc -0.2733850E+01 3,-1 165 3 -1 0.289239 -0.069426 -0.519776 Rho 0.1976601E+00 |GRAD(Rho)| 0.2098790E-11 GRAD(Rho)x -0.1133675E-11 GRAD(Rho)y 0.2107421E-13 GRAD(Rho)z 0.1766141E-11 Laplacian 0.6625401E+00 (-1/4)Del**2(Rho)) -0.1656350E+00 Diamond 0.2076668E+01 Metallicity 0.6975887E+01 Ellipticity 0.2503178E-02 Gb(Abramov) 0.3029985E+00 Vb(Abramov) -0.4403620E+00 Hb(Abramov) -0.1373635E+00 Ex_ueg -0.8503749E-01 Ec_ueg -0.1156158E-01 Delta_ex -0.7766091E-01 Delta_ec 0.1819023E-01 Delta_et -0.2584563E+00 Pxc 0.7355177E+01 Qxc -0.4269375E+01 3,-1 166 3 -1 0.290402 -0.069281 0.506705 Rho 0.1965189E+00 |GRAD(Rho)| 0.1436499E-15 GRAD(Rho)x -0.8320917E-16 GRAD(Rho)y 0.1837059E-16 GRAD(Rho)z 0.1156462E-15 Laplacian 0.6506018E+00 (-1/4)Del**2(Rho)) -0.1626504E+00 Diamond 0.2029563E+01 Metallicity 0.7035662E+01 Ellipticity 0.3545132E-02 Gb(Abramov) 0.2991592E+00 Vb(Abramov) -0.4356680E+00 Hb(Abramov) -0.1365088E+00 Ex_ueg -0.8438347E-01 Ec_ueg -0.1148540E-01 Delta_ex -0.7618327E-01 Delta_ec 0.1794381E-01 Delta_et -0.2549204E+00 Pxc 0.7347023E+01 Qxc -0.4245658E+01 3,-1 167 3 -1 1.915110 -2.547652 1.652569 Rho 0.2351358E+00 |GRAD(Rho)| 0.1049717E-13 GRAD(Rho)x 0.5640345E-14 GRAD(Rho)y -0.6330873E-14 GRAD(Rho)z -0.6188463E-14 Laplacian 0.9029760E+00 (-1/4)Del**2(Rho)) -0.2257440E+00 Diamond 0.3084379E+01 Metallicity 0.6835994E+01 Ellipticity 0.1406925E-01 Gb(Abramov) 0.4076935E+00 Vb(Abramov) -0.5896429E+00 Hb(Abramov) -0.1819495E+00 Ex_ueg -0.1071873E+00 Ec_ueg -0.1410352E-01 Delta_ex -0.1083446E+00 Delta_ec 0.1976119E-01 Delta_et -0.2721993E+00 Pxc 0.7600044E+01 Qxc -0.5482697E+01 3,-1 168 3 -1 -0.424748 0.466007 -0.008347 Rho 0.1971611E+00 |GRAD(Rho)| 0.2273656E-12 GRAD(Rho)x 0.1262385E-12 GRAD(Rho)y -0.1863707E-12 GRAD(Rho)z 0.3201457E-13 Laplacian 0.6620376E+00 (-1/4)Del**2(Rho)) -0.1655094E+00 Diamond 0.2054985E+01 Metallicity 0.6951832E+01 Ellipticity 0.3465084E-02 Gb(Abramov) 0.3021052E+00 Vb(Abramov) -0.4387010E+00 Hb(Abramov) -0.1365958E+00 Ex_ueg -0.8475138E-01 Ec_ueg -0.1152826E-01 Delta_ex -0.7745789E-01 Delta_ec 0.1801738E-01 Delta_et -0.2554196E+00 Pxc 0.7351618E+01 Qxc -0.4299065E+01 3,-1 169 3 -1 -1.817458 1.578958 2.378504 Rho 0.1293270E+00 |GRAD(Rho)| 0.1139012E-11 GRAD(Rho)x -0.8454037E-12 GRAD(Rho)y 0.2890435E-12 GRAD(Rho)z -0.7064659E-12 Laplacian 0.5341444E+00 (-1/4)Del**2(Rho)) -0.1335361E+00 Diamond 0.9006564E+00 Metallicity 0.4266806E+01 Ellipticity 0.1026252E-01 Gb(Abramov) 0.1839862E+00 Vb(Abramov) -0.2344363E+00 Hb(Abramov) -0.5045008E-01 Ex_ueg -0.4830260E-01 Ec_ueg -0.7133589E-02 Delta_ex -0.5526619E-01 Delta_ec 0.1393870E-01 Delta_et -0.1812267E+00 Pxc 0.6771150E+01 Qxc -0.3964945E+01 3,-1 170 3 -1 -0.465979 -0.569842 -0.004027 Rho 0.2039574E+00 |GRAD(Rho)| 0.2169126E-15 GRAD(Rho)x 0.1497447E-15 GRAD(Rho)y 0.1569233E-15 GRAD(Rho)z -0.1639531E-17 Laplacian 0.7315982E+00 (-1/4)Del**2(Rho)) -0.1828996E+00 Diamond 0.2342024E+01 Metallicity 0.6656406E+01 Ellipticity 0.3660523E-01 Gb(Abramov) 0.3248420E+00 Vb(Abramov) -0.4667844E+00 Hb(Abramov) -0.1419424E+00 Ex_ueg -0.8866886E-01 Ec_ueg -0.1198329E-01 Delta_ex -0.8616655E-01 Delta_ec 0.1946455E-01 Delta_et -0.2762773E+00 Pxc 0.7399378E+01 Qxc -0.4426846E+01 3,-1 171 3 -1 3.269698 -2.302886 2.219048 Rho 0.2308519E+00 |GRAD(Rho)| 0.6675190E-15 GRAD(Rho)x 0.6337162E-15 GRAD(Rho)y -0.1946143E-15 GRAD(Rho)z 0.7817098E-16 Laplacian 0.8402872E+00 (-1/4)Del**2(Rho)) -0.2100718E+00 Diamond 0.2845703E+01 Metallicity 0.7124283E+01 Ellipticity 0.1665518E-01 Gb(Abramov) 0.3894830E+00 Vb(Abramov) -0.5688942E+00 Hb(Abramov) -0.1794112E+00 Ex_ueg -0.1045915E+00 Ec_ueg -0.1380902E-01 Delta_ex -0.1005548E+00 Delta_ec 0.1887226E-01 Delta_et -0.2614210E+00 Pxc 0.7574140E+01 Qxc -0.5328179E+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 73 115 157 154 114 112 162 166 170 165 168 164 153 156 111 116 163 129 130 131 150 149 155 144 136 167 137 152 171 132 139 158 98 134 141 74 106 77 54 160 57 69 128 70 102 145 104 67 101 66 100 146 103 75 107 169 56 147 59 133 140 159 99 135 142 125 143 138 97 151 127 87 81 85 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 21 21 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 28 36 37 2.403147 1.931810 1.918168 1.944332 1.924891 1.745345 1.572103 1.553267 1.569371 1.570435 2.389612 1.916048 1.936860 1.919127 1.950316 1.745992 2.503581 1.947531 1.941196 1.911151 1.920149 1.740735 2.515351 1.932302 1.751369 2.148142 1.989206 1.758491 2.586436 1.942291 1.955168 1.845017 1.949939 1.747334 2.426955 1.823979 1.943901 1.946513 2.012594 1.752473 2.371652 2.220965 1.960322 1.943042 1.753099 1.759398 2.383651 2.186803 1.961313 1.951106 1.755843 1.759210 2.477045 1.812856 1.949061 1.968568 2.030290 1.743822 2.589378 1.932465 1.945253 1.854581 1.956755 1.746687 2.526044 1.946532 1.740421 2.176805 2.002492 1.750608 2.984479 3.213696 3.235687 2.404569 1.932293 1.918538 1.944888 1.925468 1.745350 1.572119 1.553363 1.569418 1.570453 2.390986 1.916443 1.937306 1.919691 1.950909 1.745998 2.504688 1.948120 1.941789 1.911796 1.920807 1.740753 2.516376 1.932776 1.751407 2.148639 1.989771 1.758527 2.587442 1.942687 1.955672 1.845398 1.950489 1.747343 2.427993 1.824353 1.944267 1.947012 2.013163 1.752486 2.373340 2.221438 1.960743 1.943667 1.753107 1.759419 2.385334 2.187169 1.961743 1.951693 1.755856 1.759231 2.478032 1.813298 1.949539 1.969283 2.031046 1.743847 2.590370 1.932862 1.945766 1.855001 1.957310 1.746694 2.527163 1.947109 1.740507 2.177585 2.003247 1.750657 2.993544 3.215655 3.237791 29 23 23 23 23 22 19 21 19 21 27 23 23 23 25 21 29 26 25 23 23 23 29 24 21 25 23 23 29 23 25 23 27 21 27 22 26 23 25 22 27 26 25 24 21 22 27 25 25 23 21 22 31 22 23 23 24 23 29 23 24 22 25 23 29 26 22 29 23 24 34 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 W P W Mo W W W W W Mo W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.4503 2.3228 2.4408 2.2772 2.3288 2.4196 2.4111 2.3623 2.3618 2.2790 2.4280 2.1951 -1.0455 -0.9923 -1.0417 -1.0382 -0.8671 -0.9665 -0.9271 -0.9726 -0.6942 -0.9355 -0.9814 -0.9393 -0.9669 -0.9806 -0.9357 -0.7719 -0.9652 -1.0091 -0.9429 -0.9558 -0.9801 -0.9620 -0.9223 -0.8085 -0.8060 -0.9427 -0.9895 -0.9799 -0.8131 -0.7767 -0.8145 -0.7590 -0.8514 -0.8259 -0.8351 -0.8462 -0.8481 -0.7624 -0.8243 2.0946 2.5176 2.0990 1.9706 2.1308 2.0961 2.1012 2.1359 2.1353 1.9497 2.0967 1.9988 1.8969 1.8995 1.8971 1.8943 1.9530 1.9345 1.9417 1.9305 1.9806 1.9337 1.9294 1.9343 1.9309 1.9296 1.9340 1.9661 1.9426 1.9380 1.9447 1.9426 1.9378 1.9409 1.9436 1.9560 1.9567 1.9436 1.9388 1.9385 1.9618 1.9668 1.9617 1.9694 1.9560 1.9605 1.9586 1.9555 1.9552 1.9688 1.9607 6.0989 7.3405 6.1039 6.0943 6.1209 6.1043 6.1054 6.1010 6.1054 6.0977 6.1014 6.1163 5.1101 5.0547 5.1059 5.1046 4.8859 5.0043 4.9552 5.0122 4.6803 4.9751 5.0228 4.9772 5.0064 5.0218 4.9752 4.7705 4.9929 5.0390 4.9694 4.9838 5.0106 4.9921 4.9529 4.8197 4.8162 4.9712 5.0196 5.0097 4.8169 4.7799 4.8185 4.7582 4.8630 4.8313 4.8432 4.8584 4.8607 4.7627 4.8295 3.3264 0.8190 3.3264 3.6579 3.3912 3.3506 3.3525 3.3722 3.3688 3.6736 3.3445 3.6898 0.0385 0.0381 0.0387 0.0392 0.0282 0.0278 0.0302 0.0299 0.0333 0.0268 0.0293 0.0278 0.0297 0.0291 0.0265 0.0353 0.0297 0.0321 0.0287 0.0294 0.0316 0.0291 0.0259 0.0328 0.0331 0.0279 0.0311 0.0316 0.0343 0.0299 0.0343 0.0314 0.0323 0.0341 0.0332 0.0322 0.0322 0.0309 0.0342 14.0298 0.0000 14.0299 0.0000 14.0284 14.0294 14.0297 14.0285 14.0287 0.0000 14.0294 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 W P W Mo W W W W W Mo W Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.517533 2.008682 2.518227 3.179255 2.466379 2.498263 2.497597 2.491289 2.493150 3.167237 2.499869 3.137865 -1.025740 -0.980196 -1.055505 -1.095777 -1.088109 -1.102943 -0.953168 -0.974576 -0.984785 -1.093849 -0.972952 -1.088124 -0.975727 -0.970576 -1.096238 -0.836463 -0.970264 -0.975053 -1.034541 -1.080770 -0.969453 -1.072966 -1.189139 -0.862146 -0.858213 -1.093228 -0.970648 -0.969524 -0.851430 -1.056752 -0.852836 -1.035206 -0.900910 -0.866766 -0.878706 -0.892174 -0.895031 -1.039598 -0.865263 1.944516 1.591389 1.942744 2.359313 1.932843 1.935909 1.932467 1.954482 1.946282 2.355708 1.934516 2.342353 -0.730858 -0.710886 -0.776064 -0.826757 -0.844322 -0.831793 -0.739121 -0.732591 -0.775021 -0.828556 -0.716523 -0.828308 -0.725406 -0.713483 -0.829688 -0.725305 -0.811777 -0.787031 -0.885166 -0.881871 -0.788968 -0.882419 -0.981507 -0.765979 -0.763995 -0.898328 -0.792266 -0.790903 -0.760860 -0.857719 -0.760826 -0.825838 -0.815962 -0.772947 -0.781327 -0.813136 -0.818536 -0.826296 -0.774184 2.049035 1.560262 2.047747 2.454349 2.022450 2.045290 2.036929 2.050698 2.044802 2.444665 2.045418 2.428940 -0.801400 -0.764508 -0.830257 -0.871525 -0.892003 -0.920484 -0.804652 -0.827846 -0.782623 -0.912302 -0.815949 -0.902589 -0.802919 -0.811387 -0.915883 -0.734105 -0.835504 -0.834010 -0.909959 -0.934106 -0.819211 -0.935043 -1.020624 -0.750363 -0.750387 -0.935620 -0.841545 -0.825202 -0.725224 -0.829901 -0.721842 -0.786890 -0.789967 -0.736654 -0.738743 -0.796621 -0.801433 -0.782859 -0.738446 1.68610637 2.28150586 0.13166121 2.83999267 -21.37112504 -6.46267577 -5.27625733 16.97861377 4.20562848 4.39251127 -366.4650 402.5033 -41.2034 -390.4717 -58.4767 -454.1135 Apr08-2024 08:52:57 Nodes: 1 Procs: 1 Apr08-2024 08:52:58 Nodes: 1 Procs: 1 0 Apr08-2024 08:52:59 Nodes: 1 Procs: 1 Apr08-2024 08:52:59 Nodes: 1 Procs: 1 Phosphorus (TZP, 1s frozen) 0 Apr08-2024 08:53:00 Nodes: 1 Procs: 1 Apr08-2024 08:53:00 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Apr08-2024 08:53:01 Nodes: 1 Procs: 1 Apr08-2024 08:53:02 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Apr08-2024 08:53:04 Nodes: 1 Procs: 24 *** (NO TITLE) *** -7 -16.01603044 -16.46382665 -16.28841244 -16.57128974 -16.65191260 -16.66981786 -16.67464376 -16.68155105 -16.68435826 -16.68608953 -16.68711696 -16.68770593 -16.68810050 -16.68823347 -16.68826522 -16.68830246 -16.68833312 -16.68836423 GEOMETRY CONVERGED