ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:43:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.05 1.69 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 Jun20-2024 07:43:39 Nodes: 1 Procs: 1 Jun20-2024 07:43:41 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:43:44 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.47 0.08 2.64 1 2 3 1 2 3 1 2 3 4 2.000 0.000 0.000 3.000 0.000 0.000 10.000 0.000 0.000 0.000 -14.453 3.868 46.848 -5.206 2.716 28.135 -40.711 6.242 57.060 417.392 S S S P P P D D D D D S P P S D P S D D 1 1 1 2 2 2 3 3 3 4 10.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -40.7110 -14.4532 -5.2063 2.7160 3.8682 6.2422 28.1350 46.8475 57.0600 417.3918 1 As 0.0000 2.0000 3.0000 10.0000 0.0000 Jun20-2024 07:43:39 Nodes: 1 Procs: 1 Jun20-2024 07:43:41 Nodes: 1 Procs: 1 0 Jun20-2024 07:43:44 Nodes: 1 Procs: 1 Jun20-2024 07:43:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:43:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.69 0.08 3.33 1 2 3 4 5 6 1 2 3 4 1 2 3 1 2 3 2.000 2.000 0.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 3.000 0.000 0.000 14.000 0.000 0.000 -72.755 -5.438 1.149 14.442 84.369 82466.595 -39.462 -0.588 19.371 119.253 -3.592 3.193 26.757 -25.167 53.137 407.274 S S S S S S P P P P D D D F F F S P F S D P S D S P D F S P F S 1 1 1 2 1 2 3 2 4 3 3 2 5 4 3 6 2.00 6.00 14.00 2.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -72.7547 -39.4619 -25.1674 -5.4383 -3.5916 -0.5880 1.1490 3.1925 14.4417 19.3711 26.7574 53.1371 84.3692 119.2525 407.2740 82466.5951 1 Ta -0.0000 4.0000 6.0000 3.0000 14.0000 Jun20-2024 07:43:39 Nodes: 1 Procs: 1 Jun20-2024 07:43:41 Nodes: 1 Procs: 1 0 Jun20-2024 07:43:44 Nodes: 1 Procs: 1 Jun20-2024 07:43:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:43:50 Nodes: 1 Procs: 1 Jun20-2024 07:43:53 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:43:57 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 2.22 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 Jun20-2024 07:43:39 Nodes: 1 Procs: 1 Jun20-2024 07:43:41 Nodes: 1 Procs: 1 0 Jun20-2024 07:43:44 Nodes: 1 Procs: 1 Jun20-2024 07:43:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:43:50 Nodes: 1 Procs: 1 Jun20-2024 07:43:53 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:43:57 Nodes: 1 Procs: 1 Jun20-2024 07:43:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:44:01 Hydrogen (TZP) c5-5 c5-5 c5-5 c5-5 c5-5 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.67 0.09 3.36 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 Jun20-2024 07:43:39 Nodes: 1 Procs: 1 Jun20-2024 07:43:41 Nodes: 1 Procs: 1 0 Jun20-2024 07:43:44 Nodes: 1 Procs: 1 Jun20-2024 07:43:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:43:50 Nodes: 1 Procs: 1 Jun20-2024 07:43:53 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:43:57 Nodes: 1 Procs: 1 Jun20-2024 07:43:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 07:44:01 Nodes: 1 Procs: 1 Jun20-2024 07:44:04 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun20-2024 07:44:10 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2906.517100000006 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.Ta ADF 2019.304 Jun20-2024 07:43:53 1 1 Tantalum TZP 4d t21.W ADF 2019.304 Jun20-2024 07:44:04 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun20-2024 07:43:58 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun20-2024 07:43:46 1 1 Arsenic TZP 3p t21.H ADF 2019.304 Jun20-2024 07:43:41 1 1 Hydrogen TZP 1 1 -17.26204480 0.23329668 0.00100000 F 0.09407749 0.00066667 F 0.23329668 0.09407749 0.13038939 0.01000000 F 0.03783136 0.00666667 F Cartesian 2906.517100000006 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0.3192950E+03 3,-3 47 3 -3 -3.873312 3.782580 -0.243373 Rho 0.3187137E+03 3,-3 48 3 -3 -3.841094 -3.879637 0.156526 Rho 0.3191446E+03 3,-3 49 3 -3 -3.762761 0.187622 -3.799212 Rho 0.3193021E+03 3,-3 50 3 -3 -3.870418 -0.172609 3.871974 Rho 0.3191519E+03 3,-3 51 3 -3 3.771268 0.314915 3.775322 Rho 0.3192999E+03 3,-3 52 3 -3 3.788403 -0.243214 -3.744647 Rho 0.3192976E+03 3,-3 53 3 -3 0.002417 -0.013905 -0.027090 Rho 0.4276084E+05 3,-3 54 3 -3 -3.707437 4.387011 -0.996454 Rho 0.4559623E+00 3,-3 55 3 -3 4.090034 -4.548510 0.313954 Rho 0.4614025E+00 3,-3 56 3 +3 -2.362731 -0.095370 0.000150 Rho 0.4265424E-02 |GRAD(Rho)| 0.6304780E-17 GRAD(Rho)x 0.4289997E-17 GRAD(Rho)y 0.4406271E-17 GRAD(Rho)z -0.1389588E-17 Laplacian 0.1718554E-01 (-1/4)Del**2(Rho)) -0.4296385E-02 Diamond 0.1339185E-03 Metallicity 0.4498355E+00 Ellipticity -0.3138573E+00 Gb(Abramov) 0.3186368E-02 Vb(Abramov) -0.2076350E-02 Hb(Abramov) 0.1110017E-02 Ex_ueg -0.5108986E-03 Ec_ueg -0.1154393E-03 Delta_ex -0.6111243E-03 Delta_ec 0.1522332E-03 Delta_et -0.9476793E-03 Pxc 0.4425691E+01 Qxc -0.4014396E+01 3,+3 57 3 +1 -2.196556 0.929336 1.508699 Rho 0.2426224E-01 |GRAD(Rho)| 0.2688342E-15 GRAD(Rho)x -0.7738088E-16 GRAD(Rho)y 0.1706138E-15 GRAD(Rho)z -0.1928080E-15 Laplacian 0.9539790E-01 (-1/4)Del**2(Rho)) -0.2384947E-01 Diamond 0.9013958E-02 Metallicity 0.1468788E+01 Ellipticity -0.1762695E+01 Gb(Abramov) 0.2173795E-01 Vb(Abramov) -0.1962643E-01 Hb(Abramov) 0.2111522E-02 Ex_ueg -0.5187516E-02 Ec_ueg -0.1051641E-02 Delta_ex -0.5551534E-02 Delta_ec 0.1021675E-02 Delta_et -0.9103448E-02 Pxc 0.4932782E+01 Qxc -0.5433757E+01 3,+1 58 3 -1 -1.726121 -0.581603 -1.759766 Rho 0.4542305E-01 |GRAD(Rho)| 0.6532033E-12 GRAD(Rho)x 0.4593252E-12 GRAD(Rho)y -0.2402364E-12 GRAD(Rho)z -0.3974687E-12 Laplacian 0.1851046E+00 (-1/4)Del**2(Rho)) -0.4627615E-01 Diamond 0.8152499E-01 Metallicity 0.2152730E+01 Ellipticity 0.3380068E-01 Gb(Abramov) 0.4745412E-01 Vb(Abramov) -0.4863208E-01 Hb(Abramov) -0.1177963E-02 Ex_ueg -0.1196980E-01 Ec_ueg -0.2163484E-02 Delta_ex -0.1483321E-01 Delta_ec 0.5446823E-02 Delta_et -0.5598842E-01 Pxc 0.5532649E+01 Qxc -0.2723278E+01 3,-1 59 3 +1 -1.672392 0.478961 -0.582285 Rho 0.8910566E-02 |GRAD(Rho)| 0.1964250E-12 GRAD(Rho)x -0.1539580E-12 GRAD(Rho)y -0.6645189E-13 GRAD(Rho)z 0.1022930E-12 Laplacian 0.3525024E-01 (-1/4)Del**2(Rho)) -0.8812561E-02 Diamond 0.9888681E-03 Metallicity 0.7486748E+00 Ellipticity -0.1442312E+01 Gb(Abramov) 0.6974664E-02 Vb(Abramov) -0.5136768E-02 Hb(Abramov) 0.1837897E-02 Ex_ueg -0.1364349E-02 Ec_ueg -0.3188970E-03 Delta_ex -0.1624397E-02 Delta_ec 0.4950955E-03 Delta_et -0.3415677E-02 Pxc 0.4278337E+01 Qxc -0.3280977E+01 3,+1 60 3 +3 -0.036113 -0.018540 2.348612 Rho 0.3950712E-02 |GRAD(Rho)| 0.1952645E-17 GRAD(Rho)x 0.1026683E-17 GRAD(Rho)y 0.2361861E-18 GRAD(Rho)z -0.1644068E-17 Laplacian 0.1552004E-01 (-1/4)Del**2(Rho)) -0.3880011E-02 Diamond 0.1079447E-03 Metallicity 0.4383750E+00 Ellipticity -0.2502264E+00 Gb(Abramov) 0.2870157E-02 Vb(Abramov) -0.1860304E-02 Hb(Abramov) 0.1009854E-02 Ex_ueg -0.4612668E-03 Ec_ueg -0.1020409E-03 Delta_ex -0.5398937E-03 Delta_ec 0.1350787E-03 Delta_et -0.8291074E-03 Pxc 0.4520409E+01 Qxc -0.3996882E+01 3,+3 61 3 +1 0.531797 0.552132 1.651811 Rho 0.7967679E-02 |GRAD(Rho)| 0.3551437E-16 GRAD(Rho)x 0.2338406E-16 GRAD(Rho)y 0.9393812E-17 GRAD(Rho)z 0.2502425E-16 Laplacian 0.3065328E-01 (-1/4)Del**2(Rho)) -0.7663320E-02 Diamond 0.7537708E-03 Metallicity 0.7145335E+00 Ellipticity -0.1450724E+01 Gb(Abramov) 0.6021497E-02 Vb(Abramov) -0.4379673E-02 Hb(Abramov) 0.1641824E-02 Ex_ueg -0.1175333E-02 Ec_ueg -0.2767777E-03 Delta_ex -0.1380873E-02 Delta_ec 0.4442522E-03 Delta_et -0.2966531E-02 Pxc 0.4246486E+01 Qxc -0.3108309E+01 3,+1 62 3 +1 -2.172245 -1.506311 -0.992037 Rho 0.2542614E-01 |GRAD(Rho)| 0.1029473E-14 GRAD(Rho)x -0.7458246E-15 GRAD(Rho)y -0.6368257E-15 GRAD(Rho)z 0.3130724E-15 Laplacian 0.9800195E-01 (-1/4)Del**2(Rho)) -0.2450049E-01 Diamond 0.1090799E-01 Metallicity 0.1545892E+01 Ellipticity -0.2139581E+01 Gb(Abramov) 0.2264617E-01 Vb(Abramov) -0.2079186E-01 Hb(Abramov) 0.1854312E-02 Ex_ueg -0.5521947E-02 Ec_ueg -0.1110193E-02 Delta_ex -0.5887973E-02 Delta_ec 0.1243785E-02 Delta_et -0.1111673E-01 Pxc 0.4973860E+01 Qxc -0.4733916E+01 3,+1 63 3 +1 -3.004472 -0.211806 -0.150317 Rho 0.5035180E-02 |GRAD(Rho)| 0.1092569E-15 GRAD(Rho)x -0.7456543E-17 GRAD(Rho)y -0.8679217E-16 GRAD(Rho)z -0.6594386E-16 Laplacian 0.2001645E-01 (-1/4)Del**2(Rho)) -0.5004112E-02 Diamond 0.4410984E-03 Metallicity 0.5092346E+00 Ellipticity -0.2468610E+01 Gb(Abramov) 0.3760786E-02 Vb(Abramov) -0.2517460E-02 Hb(Abramov) 0.1243326E-02 Ex_ueg -0.6373898E-03 Ec_ueg -0.1484271E-03 Delta_ex -0.9688494E-03 Delta_ec 0.5808536E-03 Delta_et -0.3181148E-02 Pxc 0.4294296E+01 Qxc -0.1667975E+01 3,+1 64 3 -1 -2.020633 0.847799 3.034450 Rho 0.1001446E+00 |GRAD(Rho)| 0.4829031E-13 GRAD(Rho)x 0.4300712E-14 GRAD(Rho)y 0.4378798E-13 GRAD(Rho)z 0.1990152E-13 Laplacian 0.4172515E+00 (-1/4)Del**2(Rho)) -0.1043129E+00 Diamond 0.5380725E+00 Metallicity 0.3566652E+01 Ellipticity 0.1200351E-01 Gb(Abramov) 0.1315499E+00 Vb(Abramov) -0.1587869E+00 Hb(Abramov) -0.2723700E-01 Ex_ueg -0.3434695E-01 Ec_ueg -0.5333809E-02 Delta_ex -0.4098704E-01 Delta_ec 0.1218673E-01 Delta_et -0.1521078E+00 Pxc 0.6439478E+01 Qxc -0.3363251E+01 3,-1 65 3 -1 -2.999842 -0.887451 -2.047620 Rho 0.1630800E+00 |GRAD(Rho)| 0.2587353E-11 GRAD(Rho)x -0.1121059E-11 GRAD(Rho)y -0.1828482E-11 GRAD(Rho)z 0.1447161E-11 Laplacian 0.6455882E+00 (-1/4)Del**2(Rho)) -0.1613971E+00 Diamond 0.1434524E+01 Metallicity 0.5195877E+01 Ellipticity 0.4251467E-01 Gb(Abramov) 0.2473646E+00 Vb(Abramov) -0.3333321E+00 Hb(Abramov) -0.8596753E-01 Ex_ueg -0.6580407E-01 Ec_ueg -0.9286016E-02 Delta_ex -0.7067124E-01 Delta_ec 0.1584907E-01 Delta_et -0.2128248E+00 Pxc 0.7086363E+01 Qxc -0.4459014E+01 3,-1 66 3 +3 -1.132027 -1.137610 1.153992 Rho 0.4470279E-02 |GRAD(Rho)| 0.1313498E-14 GRAD(Rho)x 0.4393441E-15 GRAD(Rho)y 0.7163321E-15 GRAD(Rho)z -0.1009515E-14 Laplacian 0.1566481E-01 (-1/4)Del**2(Rho)) -0.3916203E-02 Diamond 0.9114372E-04 Metallicity 0.5336366E+00 Ellipticity -0.5616572E-01 Gb(Abramov) 0.2959107E-02 Vb(Abramov) -0.2002011E-02 Hb(Abramov) 0.9570962E-03 Ex_ueg -0.5438735E-03 Ec_ueg -0.1241885E-03 Delta_ex -0.5217840E-03 Delta_ec 0.6379385E-04 Delta_et -0.5104968E-03 Pxc 0.4379421E+01 Qxc -0.8179220E+01 3,+3 67 3 +1 -1.188779 -1.282049 -2.206203 Rho 0.2747518E-01 |GRAD(Rho)| 0.1217849E-16 GRAD(Rho)x -0.2744812E-17 GRAD(Rho)y -0.1139195E-16 GRAD(Rho)z 0.3317411E-17 Laplacian 0.1102412E+00 (-1/4)Del**2(Rho)) -0.2756030E-01 Diamond 0.1739966E-01 Metallicity 0.1563760E+01 Ellipticity -0.5992619E+01 Gb(Abramov) 0.2555648E-01 Vb(Abramov) -0.2355267E-01 Hb(Abramov) 0.2003819E-02 Ex_ueg -0.6123115E-02 Ec_ueg -0.1214125E-02 Delta_ex -0.7125823E-02 Delta_ec 0.2038166E-02 Delta_et -0.1838115E-01 Pxc 0.5043232E+01 Qxc -0.3496193E+01 3,+1 68 3 +3 -1.104717 1.104017 -1.143176 Rho 0.5211873E-02 |GRAD(Rho)| 0.1577286E-13 GRAD(Rho)x -0.3566809E-14 GRAD(Rho)y 0.3490446E-14 GRAD(Rho)z -0.1496255E-13 Laplacian 0.2018366E-01 (-1/4)Del**2(Rho)) -0.5045916E-02 Diamond 0.1488962E-03 Metallicity 0.5348962E+00 Ellipticity -0.2769482E+00 Gb(Abramov) 0.3813784E-02 Vb(Abramov) -0.2581652E-02 Hb(Abramov) 0.1232132E-02 Ex_ueg -0.6673856E-03 Ec_ueg -0.1560419E-03 Delta_ex -0.7051586E-03 Delta_ec 0.8843708E-04 Delta_et -0.7064535E-03 Pxc 0.4276963E+01 Qxc -0.7973562E+01 3,+3 69 3 -1 -2.885653 -0.634662 1.870189 Rho 0.1334833E+00 |GRAD(Rho)| 0.2644913E-15 GRAD(Rho)x 0.5860790E-16 GRAD(Rho)y 0.1327606E-15 GRAD(Rho)z 0.2211230E-15 Laplacian 0.5640617E+00 (-1/4)Del**2(Rho)) -0.1410154E+00 Diamond 0.1015586E+01 Metallicity 0.4259235E+01 Ellipticity 0.1940997E-01 Gb(Abramov) 0.1941133E+00 Vb(Abramov) -0.2472111E+00 Hb(Abramov) -0.5309782E-01 Ex_ueg -0.5038343E-01 Ec_ueg -0.7394748E-02 Delta_ex -0.5913151E-01 Delta_ec 0.1518218E-01 Delta_et -0.1995123E+00 Pxc 0.6813408E+01 Qxc -0.3894797E+01 3,-1 70 3 +1 -0.576188 -0.564619 1.715070 Rho 0.6994484E-02 |GRAD(Rho)| 0.1166646E-16 GRAD(Rho)x -0.1602983E-17 GRAD(Rho)y -0.9636600E-17 GRAD(Rho)z 0.6377513E-17 Laplacian 0.2561479E-01 (-1/4)Del**2(Rho)) -0.6403698E-02 Diamond 0.5140203E-03 Metallicity 0.6882008E+00 Ellipticity -0.1424576E+01 Gb(Abramov) 0.5003637E-02 Vb(Abramov) -0.3603576E-02 Hb(Abramov) 0.1400061E-02 Ex_ueg -0.9879296E-03 Ec_ueg -0.2337281E-03 Delta_ex -0.1109064E-02 Delta_ec 0.3568093E-03 Delta_et -0.2314874E-02 Pxc 0.4226832E+01 Qxc -0.3108283E+01 3,+1 71 3 -1 -3.205465 0.020116 -3.249835 Rho 0.2412979E+00 |GRAD(Rho)| 0.3405888E-14 GRAD(Rho)x 0.2273138E-14 GRAD(Rho)y -0.5893994E-15 GRAD(Rho)z 0.2466885E-14 Laplacian 0.8830190E+00 (-1/4)Del**2(Rho)) -0.2207548E+00 Diamond 0.3137390E+01 Metallicity 0.7298476E+01 Ellipticity 0.8918441E-02 Gb(Abramov) 0.4156987E+00 Vb(Abramov) -0.6106427E+00 Hb(Abramov) -0.1949440E+00 Ex_ueg -0.1109489E+00 Ec_ueg -0.1452888E-01 Delta_ex -0.1068057E+00 Delta_ec 0.1941942E-01 Delta_et -0.2687922E+00 Pxc 0.7636440E+01 Qxc -0.5499942E+01 3,-1 72 3 -1 -3.018202 -2.027419 -0.857435 Rho 0.1023678E+00 |GRAD(Rho)| 0.7059094E-16 GRAD(Rho)x -0.1738112E-16 GRAD(Rho)y 0.6839960E-16 GRAD(Rho)z 0.1572093E-17 Laplacian 0.4233674E+00 (-1/4)Del**2(Rho)) -0.1058418E+00 Diamond 0.5615051E+00 Metallicity 0.3646154E+01 Ellipticity 0.9967344E-02 Gb(Abramov) 0.1348805E+00 Vb(Abramov) -0.1639192E+00 Hb(Abramov) -0.2903867E-01 Ex_ueg -0.3536740E-01 Ec_ueg -0.5468710E-02 Delta_ex -0.4181366E-01 Delta_ec 0.1233302E-01 Delta_et -0.1546576E+00 Pxc 0.6467230E+01 Qxc -0.3390383E+01 3,-1 73 3 +1 -1.811473 -1.821283 1.828597 Rho 0.1085807E-01 |GRAD(Rho)| 0.1043725E-15 GRAD(Rho)x 0.8750542E-16 GRAD(Rho)y -0.4168968E-16 GRAD(Rho)z 0.3870908E-16 Laplacian 0.4774095E-01 (-1/4)Del**2(Rho)) -0.1193524E-01 Diamond 0.1525819E-02 Metallicity 0.7684993E+00 Ellipticity -0.1250015E+01 Gb(Abramov) 0.9485528E-02 Vb(Abramov) -0.7035819E-02 Hb(Abramov) 0.2449709E-02 Ex_ueg -0.1775779E-02 Ec_ueg -0.4071137E-03 Delta_ex -0.2238875E-02 Delta_ec 0.5358488E-03 Delta_et -0.3988101E-02 Pxc 0.4361874E+01 Qxc -0.4178184E+01 3,+1 74 3 +1 0.554273 -1.676441 -0.555914 Rho 0.8844355E-02 |GRAD(Rho)| 0.1101670E-16 GRAD(Rho)x 0.5451021E-17 GRAD(Rho)y -0.2285758E-17 GRAD(Rho)z -0.9296742E-17 Laplacian 0.3388889E-01 (-1/4)Del**2(Rho)) -0.8472223E-02 Diamond 0.9207586E-03 Metallicity 0.7691294E+00 Ellipticity -0.1451214E+01 Gb(Abramov) 0.6734188E-02 Vb(Abramov) -0.4996153E-02 Hb(Abramov) 0.1738035E-02 Ex_ueg -0.1350848E-02 Ec_ueg -0.3159264E-03 Delta_ex -0.1549896E-02 Delta_ec 0.4602425E-03 Delta_et -0.3181852E-02 Pxc 0.4275832E+01 Qxc -0.3367564E+01 3,+1 75 3 -1 -1.745236 1.689303 0.508678 Rho 0.5672485E-01 |GRAD(Rho)| 0.6268581E-16 GRAD(Rho)x -0.6031383E-16 GRAD(Rho)y 0.3150116E-17 GRAD(Rho)z -0.1678777E-16 Laplacian 0.2287849E+00 (-1/4)Del**2(Rho)) -0.5719623E-01 Diamond 0.1339720E+00 Metallicity 0.2522366E+01 Ellipticity 0.2398998E-01 Gb(Abramov) 0.6217579E-01 Vb(Abramov) -0.6715535E-01 Hb(Abramov) -0.4979558E-02 Ex_ueg -0.1609717E-01 Ec_ueg -0.2789838E-02 Delta_ex -0.1930752E-01 Delta_ec 0.6569084E-02 Delta_et -0.7146917E-01 Pxc 0.5769931E+01 Qxc -0.2939149E+01 3,-1 76 3 +1 -1.078033 2.156957 1.365606 Rho 0.2867329E-01 |GRAD(Rho)| 0.5085292E-15 GRAD(Rho)x 0.1986592E-15 GRAD(Rho)y 0.2935293E-15 GRAD(Rho)z 0.3646601E-15 Laplacian 0.1129260E+00 (-1/4)Del**2(Rho)) -0.2823150E-01 Diamond 0.1639719E-01 Metallicity 0.1639137E+01 Ellipticity -0.2952989E+01 Gb(Abramov) 0.2653355E-01 Vb(Abramov) -0.2483559E-01 Hb(Abramov) 0.1697952E-02 Ex_ueg -0.6481693E-02 Ec_ueg -0.1275379E-02 Delta_ex -0.7156061E-02 Delta_ec 0.1683401E-02 Delta_et -0.1539015E-01 Pxc 0.5082169E+01 Qxc -0.4250955E+01 3,+1 77 3 -1 -3.288706 -0.081952 3.296999 Rho 0.2177048E+00 |GRAD(Rho)| 0.1387843E-14 GRAD(Rho)x 0.1045821E-14 GRAD(Rho)y 0.1780802E-15 GRAD(Rho)z -0.8947921E-15 Laplacian 0.8041501E+00 (-1/4)Del**2(Rho)) -0.2010375E+00 Diamond 0.2529529E+01 Metallicity 0.6751329E+01 Ellipticity 0.1050931E-02 Gb(Abramov) 0.3602367E+00 Vb(Abramov) -0.5194359E+00 Hb(Abramov) -0.1591992E+00 Ex_ueg -0.9672579E-01 Ec_ueg -0.1291154E-01 Delta_ex -0.9473001E-01 Delta_ec 0.1827674E-01 Delta_et -0.2520249E+00 Pxc 0.7491422E+01 Qxc -0.5183092E+01 3,-1 78 3 -1 -2.780331 0.514095 -1.827373 Rho 0.1164358E+00 |GRAD(Rho)| 0.4252609E-13 GRAD(Rho)x 0.2442841E-13 GRAD(Rho)y -0.1061155E-13 GRAD(Rho)z -0.3315292E-13 Laplacian 0.4770903E+00 (-1/4)Del**2(Rho)) -0.1192726E+00 Diamond 0.7182208E+00 Metallicity 0.4010112E+01 Ellipticity 0.1497572E-01 Gb(Abramov) 0.1592311E+00 Vb(Abramov) -0.1991896E+00 Hb(Abramov) -0.3995854E-01 Ex_ueg -0.4199203E-01 Ec_ueg -0.6331004E-02 Delta_ex -0.4826443E-01 Delta_ec 0.1299061E-01 Delta_et -0.1662848E+00 Pxc 0.6632760E+01 Qxc -0.3715331E+01 3,-1 79 3 -1 -3.038981 0.839463 2.015742 Rho 0.9275030E-01 |GRAD(Rho)| 0.5915035E-13 GRAD(Rho)x -0.2282312E-13 GRAD(Rho)y 0.4365633E-13 GRAD(Rho)z -0.3274132E-13 Laplacian 0.3912104E+00 (-1/4)Del**2(Rho)) -0.9780260E-01 Diamond 0.4620373E+00 Metallicity 0.3347560E+01 Ellipticity 0.4353493E-02 Gb(Abramov) 0.1197684E+00 Vb(Abramov) -0.1417342E+00 Hb(Abramov) -0.2196581E-01 Ex_ueg -0.3100789E-01 Ec_ueg -0.4888025E-02 Delta_ex -0.3780094E-01 Delta_ec 0.1168820E-01 Delta_et -0.1436310E+00 Pxc 0.6343643E+01 Qxc -0.3234112E+01 3,-1 80 3 +1 -1.731453 -0.586300 0.544892 Rho 0.7364037E-02 |GRAD(Rho)| 0.5483799E-16 GRAD(Rho)x -0.2094721E-16 GRAD(Rho)y 0.3463940E-16 GRAD(Rho)z -0.3699366E-16 Laplacian 0.2700613E-01 (-1/4)Del**2(Rho)) -0.6751533E-02 Diamond 0.5760904E-03 Metallicity 0.7112311E+00 Ellipticity -0.1434355E+01 Gb(Abramov) 0.5301339E-02 Vb(Abramov) -0.3851144E-02 Hb(Abramov) 0.1450194E-02 Ex_ueg -0.1058132E-02 Ec_ueg -0.2500238E-03 Delta_ex -0.1181563E-02 Delta_ec 0.3710987E-03 Delta_et -0.2444316E-02 Pxc 0.4232123E+01 Qxc -0.3183959E+01 3,+1 81 3 +1 1.043673 2.192003 -1.432209 Rho 0.2652244E-01 |GRAD(Rho)| 0.1505629E-15 GRAD(Rho)x -0.1076650E-15 GRAD(Rho)y 0.9037324E-17 GRAD(Rho)z -0.1048606E-15 Laplacian 0.1022947E+00 (-1/4)Del**2(Rho)) -0.2557368E-01 Diamond 0.1310789E-01 Metallicity 0.1588971E+01 Ellipticity -0.2693903E+01 Gb(Abramov) 0.2382175E-01 Vb(Abramov) -0.2206983E-01 Hb(Abramov) 0.1751922E-02 Ex_ueg -0.5841662E-02 Ec_ueg -0.1165668E-02 Delta_ex -0.6322526E-02 Delta_ec 0.1483947E-02 Delta_et -0.1333649E-01 Pxc 0.5011428E+01 Qxc -0.4260616E+01 3,+1 82 3 +1 -0.527390 1.670771 -0.592769 Rho 0.8546848E-02 |GRAD(Rho)| 0.1483803E-14 GRAD(Rho)x -0.1242663E-14 GRAD(Rho)y 0.7000434E-15 GRAD(Rho)z 0.4091452E-15 Laplacian 0.3345147E-01 (-1/4)Del**2(Rho)) -0.8362868E-02 Diamond 0.8914299E-03 Metallicity 0.7359945E+00 Ellipticity -0.1443221E+01 Gb(Abramov) 0.6601083E-02 Vb(Abramov) -0.4839297E-02 Hb(Abramov) 0.1761785E-02 Ex_ueg -0.1290604E-02 Ec_ueg -0.3026026E-03 Delta_ex -0.1527505E-02 Delta_ec 0.4737643E-03 Delta_et -0.3230519E-02 Pxc 0.4265013E+01 Qxc -0.3224187E+01 3,+1 83 3 -1 -1.859360 -0.629117 2.901080 Rho 0.1391619E+00 |GRAD(Rho)| 0.1428011E-13 GRAD(Rho)x 0.1171112E-13 GRAD(Rho)y -0.1042840E-14 GRAD(Rho)z -0.8104554E-14 Laplacian 0.5867377E+00 (-1/4)Del**2(Rho)) -0.1466844E+00 Diamond 0.1110542E+01 Metallicity 0.4389042E+01 Ellipticity 0.1784272E-01 Gb(Abramov) 0.2050903E+00 Vb(Abramov) -0.2634961E+00 Hb(Abramov) -0.5840586E-01 Ex_ueg -0.5326134E-01 Ec_ueg -0.7753370E-02 Delta_ex -0.6212847E-01 Delta_ec 0.1563456E-01 Delta_et -0.2068414E+00 Pxc 0.6869444E+01 Qxc -0.3973791E+01 3,-1 84 3 -1 -1.975817 -0.895583 -3.051365 Rho 0.1492363E+00 |GRAD(Rho)| 0.3175567E-13 GRAD(Rho)x -0.1286165E-13 GRAD(Rho)y 0.2124586E-13 GRAD(Rho)z 0.1978924E-13 Laplacian 0.5764719E+00 (-1/4)Del**2(Rho)) -0.1441180E+00 Diamond 0.1167357E+01 Metallicity 0.5019100E+01 Ellipticity 0.4170853E-01 Gb(Abramov) 0.2166357E+00 Vb(Abramov) -0.2891535E+00 Hb(Abramov) -0.7251777E-01 Ex_ueg -0.5846344E-01 Ec_ueg -0.8394645E-02 Delta_ex -0.6189300E-01 Delta_ec 0.1475735E-01 Delta_et -0.1965670E+00 Pxc 0.6964374E+01 Qxc -0.4194044E+01 3,-1 85 3 +1 -0.172381 -0.172743 -2.937377 Rho 0.5579979E-02 |GRAD(Rho)| 0.3175781E-14 GRAD(Rho)x -0.2319384E-14 GRAD(Rho)y -0.2149785E-14 GRAD(Rho)z -0.2906356E-15 Laplacian 0.2269082E-01 (-1/4)Del**2(Rho)) -0.5672704E-02 Diamond 0.5815207E-03 Metallicity 0.5331106E+00 Ellipticity -0.2876922E+01 Gb(Abramov) 0.4285832E-02 Vb(Abramov) -0.2898961E-02 Hb(Abramov) 0.1386872E-02 Ex_ueg -0.7309626E-03 Ec_ueg -0.1719564E-03 Delta_ex -0.1127015E-02 Delta_ec 0.6689987E-03 Delta_et -0.3772976E-02 Pxc 0.4250860E+01 Qxc -0.1684629E+01 3,+1 86 3 -1 -1.826344 0.515666 -2.811662 Rho 0.1487658E+00 |GRAD(Rho)| 0.5118873E-09 GRAD(Rho)x -0.3625897E-09 GRAD(Rho)y -0.3461447E-09 GRAD(Rho)z 0.1036395E-09 Laplacian 0.6240994E+00 (-1/4)Del**2(Rho)) -0.1560248E+00 Diamond 0.1242304E+01 Metallicity 0.4611737E+01 Ellipticity 0.8987172E-02 Gb(Abramov) 0.2239408E+00 Vb(Abramov) -0.2918568E+00 Hb(Abramov) -0.6791597E-01 Ex_ueg -0.5821780E-01 Ec_ueg -0.8364553E-02 Delta_ex -0.6678632E-01 Delta_ec 0.1568851E-01 Delta_et -0.2081964E+00 Pxc 0.6960061E+01 Qxc -0.4257021E+01 3,-1 87 3 +3 -0.008993 -0.001107 -2.323721 Rho 0.4770536E-02 |GRAD(Rho)| 0.8774631E-16 GRAD(Rho)x 0.6476561E-16 GRAD(Rho)y 0.5908999E-16 GRAD(Rho)z 0.3633774E-17 Laplacian 0.1927444E-01 (-1/4)Del**2(Rho)) -0.4818610E-02 Diamond 0.1726141E-03 Metallicity 0.4833295E+00 Ellipticity -0.3168399E+00 Gb(Abramov) 0.3600570E-02 Vb(Abramov) -0.2382529E-02 Hb(Abramov) 0.1218041E-02 Ex_ueg -0.5931183E-03 Ec_ueg -0.1370514E-03 Delta_ex -0.7031734E-03 Delta_ec 0.1668030E-03 Delta_et -0.1072003E-02 Pxc 0.4327706E+01 Qxc -0.4215593E+01 3,+3 88 3 -1 -1.772645 0.482593 1.746997 Rho 0.3492210E-01 |GRAD(Rho)| 0.1068238E-14 GRAD(Rho)x -0.6884483E-15 GRAD(Rho)y -0.3981473E-15 GRAD(Rho)z 0.7131967E-15 Laplacian 0.1469632E+00 (-1/4)Del**2(Rho)) -0.3674079E-01 Diamond 0.4919054E-01 Metallicity 0.1749465E+01 Ellipticity 0.1716898E-01 Gb(Abramov) 0.3520665E-01 Vb(Abramov) -0.3367251E-01 Hb(Abramov) 0.1534140E-02 Ex_ueg -0.8430479E-02 Ec_ueg -0.1600179E-02 Delta_ex -0.1130528E-01 Delta_ec 0.4818749E-02 Delta_et -0.4616779E-01 Pxc 0.5268459E+01 Qxc -0.2346103E+01 3,-1 89 3 +1 1.645299 -0.524002 -0.543774 Rho 0.9381261E-02 |GRAD(Rho)| 0.6235655E-12 GRAD(Rho)x 0.4612502E-13 GRAD(Rho)y 0.4374237E-12 GRAD(Rho)z -0.4420033E-12 Laplacian 0.3605697E-01 (-1/4)Del**2(Rho)) -0.9014242E-02 Diamond 0.1071365E-02 Metallicity 0.7974914E+00 Ellipticity -0.1484182E+01 Gb(Abramov) 0.7207625E-02 Vb(Abramov) -0.5401007E-02 Hb(Abramov) 0.1806617E-02 Ex_ueg -0.1461280E-02 Ec_ueg -0.3400700E-03 Delta_ex -0.1677992E-02 Delta_ec 0.4966012E-03 Delta_et -0.3479271E-02 Pxc 0.4296997E+01 Qxc -0.3378952E+01 3,+1 90 3 -1 -1.998890 -3.048884 -0.863366 Rho 0.9650537E-01 |GRAD(Rho)| 0.1794774E-15 GRAD(Rho)x -0.6760678E-16 GRAD(Rho)y 0.4471995E-16 GRAD(Rho)z 0.1601299E-15 Laplacian 0.4015487E+00 (-1/4)Del**2(Rho)) -0.1003872E+00 Diamond 0.4961842E+00 Metallicity 0.3484395E+01 Ellipticity 0.1109371E-01 Gb(Abramov) 0.1252229E+00 Vb(Abramov) -0.1500586E+00 Hb(Abramov) -0.2483570E-01 Ex_ueg -0.3269292E-01 Ec_ueg -0.5113850E-02 Delta_ex -0.3912838E-01 Delta_ec 0.1185336E-01 Delta_et -0.1468488E+00 Pxc 0.6393014E+01 Qxc -0.3301038E+01 3,-1 91 3 +1 -1.478124 -2.212671 -0.990485 Rho 0.2504149E-01 |GRAD(Rho)| 0.5269375E-16 GRAD(Rho)x 0.2380484E-16 GRAD(Rho)y 0.4086262E-16 GRAD(Rho)z -0.2324236E-16 Laplacian 0.9631037E-01 (-1/4)Del**2(Rho)) -0.2407759E-01 Diamond 0.1024400E-01 Metallicity 0.1533582E+01 Ellipticity -0.2040276E+01 Gb(Abramov) 0.2220589E-01 Vb(Abramov) -0.2033419E-01 Hb(Abramov) 0.1871704E-02 Ex_ueg -0.5410847E-02 Ec_ueg -0.1090803E-02 Delta_ex -0.5734607E-02 Delta_ec 0.1173623E-02 Delta_et -0.1047030E-01 Pxc 0.4960424E+01 Qxc -0.4886241E+01 3,+1 92 3 -1 -1.845760 -2.888886 0.625730 Rho 0.1312387E+00 |GRAD(Rho)| 0.5391533E-15 GRAD(Rho)x -0.4483718E-15 GRAD(Rho)y 0.7474219E-17 GRAD(Rho)z -0.2993211E-15 Laplacian 0.5567050E+00 (-1/4)Del**2(Rho)) -0.1391762E+00 Diamond 0.9822843E+00 Metallicity 0.4195252E+01 Ellipticity 0.2069285E-01 Gb(Abramov) 0.1900974E+00 Vb(Abramov) -0.2410185E+00 Hb(Abramov) -0.5092115E-01 Ex_ueg -0.4925697E-01 Ec_ueg -0.7253570E-02 Delta_ex -0.5812510E-01 Delta_ec 0.1504787E-01 Delta_et -0.1971977E+00 Pxc 0.6790721E+01 Qxc -0.3862680E+01 3,-1 93 3 -1 -1.745690 -1.776091 -0.503204 Rho 0.3793344E-01 |GRAD(Rho)| 0.6981240E-16 GRAD(Rho)x -0.3723514E-16 GRAD(Rho)y -0.5647380E-16 GRAD(Rho)z 0.1726338E-16 Laplacian 0.1617913E+00 (-1/4)Del**2(Rho)) -0.4044783E-01 Diamond 0.6056147E-01 Metallicity 0.1824015E+01 Ellipticity 0.1121453E-01 Gb(Abramov) 0.3926146E-01 Vb(Abramov) -0.3807509E-01 Hb(Abramov) 0.1186367E-02 Ex_ueg -0.9413434E-02 Ec_ueg -0.1759632E-02 Delta_ex -0.1269442E-01 Delta_ec 0.5299330E-02 Delta_et -0.5195353E-01 Pxc 0.5349660E+01 Qxc -0.2395476E+01 3,-1 94 3 +1 -0.111877 -2.980147 -0.094764 Rho 0.4731590E-02 |GRAD(Rho)| 0.2134764E-15 GRAD(Rho)x -0.1466683E-15 GRAD(Rho)y 0.2122504E-17 GRAD(Rho)z -0.1551002E-15 Laplacian 0.1846693E-01 (-1/4)Del**2(Rho)) -0.4616732E-02 Diamond 0.4035623E-03 Metallicity 0.4976191E+00 Ellipticity -0.4176681E+01 Gb(Abramov) 0.3460717E-02 Vb(Abramov) -0.2304702E-02 Hb(Abramov) 0.1156015E-02 Ex_ueg -0.5866709E-03 Ec_ueg -0.1353804E-03 Delta_ex -0.9121675E-03 Delta_ec 0.5881002E-03 Delta_et -0.3138681E-02 Pxc 0.4333500E+01 Qxc -0.1551041E+01 3,+1 95 3 +1 -1.769101 1.736317 -1.760984 Rho 0.1216989E-01 |GRAD(Rho)| 0.7260146E-15 GRAD(Rho)x -0.5385870E-15 GRAD(Rho)y 0.7568757E-17 GRAD(Rho)z 0.4867893E-15 Laplacian 0.5961428E-01 (-1/4)Del**2(Rho)) -0.1490357E-01 Diamond 0.2379606E-02 Metallicity 0.7442869E+00 Ellipticity -0.1261906E+01 Gb(Abramov) 0.1178447E-01 Vb(Abramov) -0.8665368E-02 Hb(Abramov) 0.3119101E-02 Ex_ueg -0.2067444E-02 Ec_ueg -0.4674172E-03 Delta_ex -0.2925413E-02 Delta_ec 0.7456120E-03 Delta_et -0.5631583E-02 Pxc 0.4423123E+01 Qxc -0.3923506E+01 3,+1 96 3 +3 -1.979567 1.931235 1.964778 Rho 0.1215167E-01 |GRAD(Rho)| 0.1241379E-14 GRAD(Rho)x 0.1112962E-14 GRAD(Rho)y 0.4028549E-15 GRAD(Rho)z 0.3742280E-15 Laplacian 0.5607037E-01 (-1/4)Del**2(Rho)) -0.1401759E-01 Diamond 0.1565495E-02 Metallicity 0.7893558E+00 Ellipticity -0.9438649E+00 Gb(Abramov) 0.1118921E-01 Vb(Abramov) -0.8360819E-02 Hb(Abramov) 0.2828386E-02 Ex_ueg -0.2063318E-02 Ec_ueg -0.4665749E-03 Delta_ex -0.2560565E-02 Delta_ec 0.3623353E-03 Delta_et -0.3004217E-02 Pxc 0.4422265E+01 Qxc -0.7066839E+01 3,+3 97 3 +1 -2.010023 1.966445 1.993690 Rho 0.1215378E-01 |GRAD(Rho)| 0.1353071E-12 GRAD(Rho)x -0.1223404E-12 GRAD(Rho)y -0.3966410E-13 GRAD(Rho)z -0.4204284E-13 Laplacian 0.5626807E-01 (-1/4)Del**2(Rho)) -0.1406702E-01 Diamond 0.1708738E-02 Metallicity 0.7868102E+00 Ellipticity -0.1048804E+01 Gb(Abramov) 0.1122269E-01 Vb(Abramov) -0.8378363E-02 Hb(Abramov) 0.2844327E-02 Ex_ueg -0.2063796E-02 Ec_ueg -0.4666726E-03 Delta_ex -0.2608742E-02 Delta_ec 0.4332811E-03 Delta_et -0.3485750E-02 Pxc 0.4422364E+01 Qxc -0.6020900E+01 3,+1 98 3 -1 -1.833082 2.748162 -0.555995 Rho 0.1640449E+00 |GRAD(Rho)| 0.9100975E-14 GRAD(Rho)x 0.7744158E-14 GRAD(Rho)y -0.4761260E-14 GRAD(Rho)z -0.4314583E-15 Laplacian 0.7024085E+00 (-1/4)Del**2(Rho)) -0.1756021E+00 Diamond 0.1554677E+01 Metallicity 0.4822751E+01 Ellipticity 0.3115653E-01 Gb(Abramov) 0.2582156E+00 Vb(Abramov) -0.3408291E+00 Hb(Abramov) -0.8261351E-01 Ex_ueg -0.6632372E-01 Ec_ueg -0.9348573E-02 Delta_ex -0.7685230E-01 Delta_ec 0.1694642E-01 Delta_et -0.2270013E+00 Pxc 0.7094529E+01 Qxc -0.4535017E+01 3,-1 99 3 +1 0.162148 2.945415 -0.231923 Rho 0.5462500E-02 |GRAD(Rho)| 0.4284845E-14 GRAD(Rho)x 0.3047160E-14 GRAD(Rho)y 0.4076467E-15 GRAD(Rho)z -0.2984718E-14 Laplacian 0.2235009E-01 (-1/4)Del**2(Rho)) -0.5587521E-02 Diamond 0.5149282E-03 Metallicity 0.5223798E+00 Ellipticity -0.2025093E+01 Gb(Abramov) 0.4211482E-02 Vb(Abramov) -0.2835443E-02 Hb(Abramov) 0.1376039E-02 Ex_ueg -0.7105157E-03 Ec_ueg -0.1668700E-03 Delta_ex -0.1070966E-02 Delta_ec 0.5975266E-03 Delta_et -0.3374860E-02 Pxc 0.4257898E+01 Qxc -0.1792332E+01 3,+1 100 3 -1 -1.989171 2.953597 0.826106 Rho 0.1443864E+00 |GRAD(Rho)| 0.6023210E-15 GRAD(Rho)x 0.3565670E-15 GRAD(Rho)y 0.4097471E-15 GRAD(Rho)z 0.2603034E-15 Laplacian 0.5584829E+00 (-1/4)Del**2(Rho)) -0.1396207E+00 Diamond 0.1079738E+01 Metallicity 0.4903207E+01 Ellipticity 0.3065801E-01 Gb(Abramov) 0.2071787E+00 Vb(Abramov) -0.2747367E+00 Hb(Abramov) -0.6755798E-01 Ex_ueg -0.5594397E-01 Ec_ueg -0.8085135E-02 Delta_ex -0.5940340E-01 Delta_ec 0.1427895E-01 Delta_et -0.1889967E+00 Pxc 0.6919362E+01 Qxc -0.4160207E+01 3,-1 101 3 +1 -0.555859 -1.739120 0.558110 Rho 0.7491119E-02 |GRAD(Rho)| 0.1300719E-16 GRAD(Rho)x -0.8505576E-18 GRAD(Rho)y -0.1100766E-16 GRAD(Rho)z 0.6877129E-17 Laplacian 0.2751043E-01 (-1/4)Del**2(Rho)) -0.6877607E-02 Diamond 0.6009075E-03 Metallicity 0.7183901E+00 Ellipticity -0.1440316E+01 Gb(Abramov) 0.5408539E-02 Vb(Abramov) -0.3939470E-02 Hb(Abramov) 0.1469068E-02 Ex_ueg -0.1082548E-02 Ec_ueg -0.2556422E-03 Delta_ex -0.1208931E-02 Delta_ec 0.3782592E-03 Delta_et -0.2502303E-02 Pxc 0.4234622E+01 Qxc -0.3196040E+01 3,+1 102 3 +1 -0.539696 0.528515 -1.678969 Rho 0.8772239E-02 |GRAD(Rho)| 0.1558066E-16 GRAD(Rho)x 0.7837325E-17 GRAD(Rho)y -0.7675981E-17 GRAD(Rho)z 0.1106402E-16 Laplacian 0.3339753E-01 (-1/4)Del**2(Rho)) -0.8349384E-02 Diamond 0.9236842E-03 Metallicity 0.7698679E+00 Ellipticity -0.1490293E+01 Gb(Abramov) 0.6637576E-02 Vb(Abramov) -0.4925769E-02 Hb(Abramov) 0.1711807E-02 Ex_ueg -0.1336182E-02 Ec_ueg -0.3126931E-03 Delta_ex -0.1535800E-02 Delta_ec 0.4742166E-03 Delta_et -0.3254369E-02 Pxc 0.4273142E+01 Qxc -0.3238605E+01 3,+1 103 3 +1 0.501133 1.666122 0.512090 Rho 0.8793552E-02 |GRAD(Rho)| 0.1455744E-16 GRAD(Rho)x 0.2176802E-17 GRAD(Rho)y -0.9398102E-17 GRAD(Rho)z -0.1090213E-16 Laplacian 0.3410222E-01 (-1/4)Del**2(Rho)) -0.8525555E-02 Diamond 0.9385516E-03 Metallicity 0.7570148E+00 Ellipticity -0.1458955E+01 Gb(Abramov) 0.6759366E-02 Vb(Abramov) -0.4993176E-02 Hb(Abramov) 0.1766190E-02 Ex_ueg -0.1340512E-02 Ec_ueg -0.3136485E-03 Delta_ex -0.1565781E-02 Delta_ec 0.4781723E-03 Delta_et -0.3288403E-02 Pxc 0.4273933E+01 Qxc -0.3274512E+01 3,+1 104 3 +3 1.099853 -1.126520 -1.135416 Rho 0.5419036E-02 |GRAD(Rho)| 0.3515052E-17 GRAD(Rho)x 0.3247412E-17 GRAD(Rho)y 0.1964422E-18 GRAD(Rho)z -0.1330909E-17 Laplacian 0.2078521E-01 (-1/4)Del**2(Rho)) -0.5196302E-02 Diamond 0.1558176E-03 Metallicity 0.5542795E+00 Ellipticity -0.6150204E-01 Gb(Abramov) 0.3944236E-02 Vb(Abramov) -0.2692169E-02 Hb(Abramov) 0.1252067E-02 Ex_ueg -0.7029878E-03 Ec_ueg -0.1649900E-03 Delta_ex -0.7291589E-03 Delta_ec 0.8223065E-04 Delta_et -0.6866247E-03 Pxc 0.4260791E+01 Qxc -0.8867240E+01 3,+3 105 3 +1 0.537671 -0.541353 -1.674649 Rho 0.9011976E-02 |GRAD(Rho)| 0.1087244E-16 GRAD(Rho)x 0.4106518E-17 GRAD(Rho)y 0.9786079E-17 GRAD(Rho)z 0.2362018E-17 Laplacian 0.3471287E-01 (-1/4)Del**2(Rho)) -0.8678217E-02 Diamond 0.9894782E-03 Metallicity 0.7747401E+00 Ellipticity -0.1479406E+01 Gb(Abramov) 0.6906038E-02 Vb(Abramov) -0.5133860E-02 Hb(Abramov) 0.1772178E-02 Ex_ueg -0.1385091E-02 Ec_ueg -0.3234505E-03 Delta_ex -0.1604470E-02 Delta_ec 0.4879563E-03 Delta_et -0.3375874E-02 Pxc 0.4282236E+01 Qxc -0.3288143E+01 3,+1 106 3 +1 -1.498298 0.977376 2.162594 Rho 0.2382838E-01 |GRAD(Rho)| 0.3645800E-16 GRAD(Rho)x -0.8824899E-17 GRAD(Rho)y 0.7616815E-17 GRAD(Rho)z 0.3454405E-16 Laplacian 0.9004560E-01 (-1/4)Del**2(Rho)) -0.2251140E-01 Diamond 0.9214368E-02 Metallicity 0.1509993E+01 Ellipticity -0.2141174E+01 Gb(Abramov) 0.2067294E-01 Vb(Abramov) -0.1883448E-01 Hb(Abramov) 0.1838459E-02 Ex_ueg -0.5064202E-02 Ec_ueg -0.1029908E-02 Delta_ex -0.5319586E-02 Delta_ec 0.1153899E-02 Delta_et -0.1016547E-01 Pxc 0.4917142E+01 Qxc -0.4610096E+01 3,+1 107 3 +1 0.074773 -0.088542 2.996967 Rho 0.4687734E-02 |GRAD(Rho)| 0.1294325E-16 GRAD(Rho)x -0.9603753E-17 GRAD(Rho)y -0.8676896E-17 GRAD(Rho)z -0.8378032E-19 Laplacian 0.1834082E-01 (-1/4)Del**2(Rho)) -0.4585205E-02 Diamond 0.4045430E-03 Metallicity 0.4933245E+00 Ellipticity -0.4463971E+01 Gb(Abramov) 0.3433803E-02 Vb(Abramov) -0.2282400E-02 Hb(Abramov) 0.1151403E-02 Ex_ueg -0.5794318E-03 Ec_ueg -0.1334996E-03 Delta_ex -0.9131582E-03 Delta_ec 0.5998394E-03 Delta_et -0.3186032E-02 Pxc 0.4340327E+01 Qxc -0.1522338E+01 3,+1 108 3 -1 -0.585946 1.799104 -2.818575 Rho 0.1213526E+00 |GRAD(Rho)| 0.2527919E-15 GRAD(Rho)x 0.1706670E-15 GRAD(Rho)y 0.1468416E-15 GRAD(Rho)z 0.1149525E-15 Laplacian 0.5239507E+00 (-1/4)Del**2(Rho)) -0.1309877E+00 Diamond 0.8497948E+00 Metallicity 0.3912049E+01 Ellipticity 0.1974503E-01 Gb(Abramov) 0.1727302E+00 Vb(Abramov) -0.2144726E+00 Hb(Abramov) -0.4174248E-01 Ex_ueg -0.4437282E-01 Ec_ueg -0.6635767E-02 Delta_ex -0.5380347E-01 Delta_ec 0.1462123E-01 Delta_et -0.1893500E+00 Pxc 0.6686916E+01 Qxc -0.3679818E+01 3,-1 109 3 +1 1.720236 1.776560 1.744629 Rho 0.1254843E-01 |GRAD(Rho)| 0.1296211E-16 GRAD(Rho)x -0.8566156E-17 GRAD(Rho)y 0.8140826E-17 GRAD(Rho)z 0.5325812E-17 Laplacian 0.6317627E-01 (-1/4)Del**2(Rho)) -0.1579407E-01 Diamond 0.2648232E-02 Metallicity 0.7391089E+00 Ellipticity -0.1245555E+01 Gb(Abramov) 0.1247497E-01 Vb(Abramov) -0.9155868E-02 Hb(Abramov) 0.3319100E-02 Ex_ueg -0.2153630E-02 Ec_ueg -0.4849455E-03 Delta_ex -0.3130489E-02 Delta_ec 0.7989753E-03 Delta_et -0.6072465E-02 Pxc 0.4440974E+01 Qxc -0.3918130E+01 3,+1 110 3 -1 -0.838450 -3.045037 -2.031336 Rho 0.1694662E+00 |GRAD(Rho)| 0.5727407E-15 GRAD(Rho)x -0.7017499E-16 GRAD(Rho)y -0.4532643E-15 GRAD(Rho)z -0.3430145E-15 Laplacian 0.6597999E+00 (-1/4)Del**2(Rho)) -0.1649500E+00 Diamond 0.1540261E+01 Metallicity 0.5420087E+01 Ellipticity 0.4426419E-01 Gb(Abramov) 0.2589738E+00 Vb(Abramov) -0.3529977E+00 Hb(Abramov) -0.9402387E-01 Ex_ueg -0.6926215E-01 Ec_ueg -0.9701067E-02 Delta_ex -0.7296493E-01 Delta_ec 0.1611298E-01 Delta_et -0.2175527E+00 Pxc 0.7139643E+01 Qxc -0.4528332E+01 3,-1 111 3 +1 0.185052 0.201578 -2.931075 Rho 0.5533415E-02 |GRAD(Rho)| 0.1086849E-14 GRAD(Rho)x 0.7775507E-15 GRAD(Rho)y 0.7551395E-15 GRAD(Rho)z -0.8012714E-16 Laplacian 0.2223232E-01 (-1/4)Del**2(Rho)) -0.5558081E-02 Diamond 0.5293291E-03 Metallicity 0.5365585E+00 Ellipticity -0.2288647E+01 Gb(Abramov) 0.4202426E-02 Vb(Abramov) -0.2846772E-02 Hb(Abramov) 0.1355654E-02 Ex_ueg -0.7228409E-03 Ec_ueg -0.1699396E-03 Delta_ex -0.1074767E-02 Delta_ec 0.6061649E-03 Delta_et -0.3431125E-02 Pxc 0.4253518E+01 Qxc -0.1773061E+01 3,+1 112 3 -1 -0.484888 0.461151 0.436772 Rho 0.1808292E+00 |GRAD(Rho)| 0.6275844E-13 GRAD(Rho)x 0.3748390E-13 GRAD(Rho)y -0.3600245E-13 GRAD(Rho)z -0.3517672E-13 Laplacian 0.4782039E+00 (-1/4)Del**2(Rho)) -0.1195510E+00 Diamond 0.1241633E+01 Metallicity 0.8332610E+01 Ellipticity 0.1128620E-01 Gb(Abramov) 0.2457292E+00 Vb(Abramov) -0.3719075E+00 Hb(Abramov) -0.1261783E+00 Ex_ueg -0.7552253E-01 Ec_ueg -0.1044545E-01 Delta_ex -0.5402208E-01 Delta_ec 0.1196400E-01 Delta_et -0.1641351E+00 Pxc 0.7230187E+01 Qxc -0.4515387E+01 3,-1 113 3 -1 -0.564028 1.727583 1.718590 Rho 0.4279017E-01 |GRAD(Rho)| 0.1297630E-14 GRAD(Rho)x 0.1035660E-14 GRAD(Rho)y -0.6568148E-15 GRAD(Rho)z 0.4240840E-15 Laplacian 0.1720882E+00 (-1/4)Del**2(Rho)) -0.4302205E-01 Diamond 0.6970548E-01 Metallicity 0.2096213E+01 Ellipticity 0.2609172E-01 Gb(Abramov) 0.4371193E-01 Vb(Abramov) -0.4440181E-01 Hb(Abramov) -0.6898811E-03 Ex_ueg -0.1105377E-01 Ec_ueg -0.2020399E-02 Delta_ex -0.1357636E-01 Delta_ec 0.5049296E-02 Delta_et -0.5108416E-01 Pxc 0.5471083E+01 Qxc -0.2688762E+01 3,-1 114 3 +3 -0.014191 2.311923 -0.051193 Rho 0.4682036E-02 |GRAD(Rho)| 0.5166996E-17 GRAD(Rho)x 0.3922285E-17 GRAD(Rho)y -0.3046776E-17 GRAD(Rho)z 0.1425022E-17 Laplacian 0.1929285E-01 (-1/4)Del**2(Rho)) -0.4823214E-02 Diamond 0.1695290E-03 Metallicity 0.4680310E+00 Ellipticity -0.3413453E+00 Gb(Abramov) 0.3591711E-02 Vb(Abramov) -0.2360209E-02 Hb(Abramov) 0.1231502E-02 Ex_ueg -0.5784930E-03 Ec_ueg -0.1332553E-03 Delta_ex -0.7015525E-03 Delta_ec 0.1689369E-03 Delta_et -0.1078038E-02 Pxc 0.4341238E+01 Qxc -0.4152749E+01 3,+3 115 3 +1 2.169165 1.202930 -1.278460 Rho 0.2881168E-01 |GRAD(Rho)| 0.1649101E-16 GRAD(Rho)x -0.9271577E-17 GRAD(Rho)y 0.1312193E-16 GRAD(Rho)z -0.3715671E-17 Laplacian 0.1180415E+00 (-1/4)Del**2(Rho)) -0.2951037E-01 Diamond 0.2041595E-01 Metallicity 0.1580736E+01 Ellipticity -0.8584107E+01 Gb(Abramov) 0.2744826E-01 Vb(Abramov) -0.2538616E-01 Hb(Abramov) 0.2062104E-02 Ex_ueg -0.6523436E-02 Ec_ueg -0.1282476E-02 Delta_ex -0.7774285E-02 Delta_ec 0.2267021E-02 Delta_et -0.2067697E-01 Pxc 0.5086593E+01 Qxc -0.3429295E+01 3,+1 116 3 -1 -0.527158 -1.768055 -1.734483 Rho 0.4703000E-01 |GRAD(Rho)| 0.7854469E-16 GRAD(Rho)x -0.2859096E-16 GRAD(Rho)y 0.6446895E-16 GRAD(Rho)z 0.3457716E-16 Laplacian 0.1916136E+00 (-1/4)Del**2(Rho)) -0.4790339E-01 Diamond 0.8882946E-01 Metallicity 0.2203663E+01 Ellipticity 0.2614778E-01 Gb(Abramov) 0.4952942E-01 Vb(Abramov) -0.5115544E-01 Hb(Abramov) -0.1626026E-02 Ex_ueg -0.1253771E-01 Ec_ueg -0.2251373E-02 Delta_ex -0.1550588E-01 Delta_ec 0.5666345E-02 Delta_et -0.5878755E-01 Pxc 0.5568919E+01 Qxc -0.2736486E+01 3,-1 117 3 +3 1.064149 1.103131 1.124634 Rho 0.5128114E-02 |GRAD(Rho)| 0.9502455E-15 GRAD(Rho)x 0.7728341E-15 GRAD(Rho)y -0.2770917E-15 GRAD(Rho)z -0.4784499E-15 Laplacian 0.1991998E-01 (-1/4)Del**2(Rho)) -0.4979996E-02 Diamond 0.1452974E-03 Metallicity 0.5275378E+00 Ellipticity -0.9765003E-01 Gb(Abramov) 0.3757853E-02 Vb(Abramov) -0.2535711E-02 Hb(Abramov) 0.1222143E-02 Ex_ueg -0.6531234E-03 Ec_ueg -0.1524302E-03 Delta_ex -0.6942282E-03 Delta_ec 0.8980508E-04 Delta_et -0.7081078E-03 Pxc 0.4284737E+01 Qxc -0.7730389E+01 3,+3 118 3 -1 -0.051109 -3.283206 3.314383 Rho 0.2176241E+00 |GRAD(Rho)| 0.3867129E-12 GRAD(Rho)x 0.4776665E-13 GRAD(Rho)y 0.2676935E-12 GRAD(Rho)z -0.2749644E-12 Laplacian 0.8040968E+00 (-1/4)Del**2(Rho)) -0.2010242E+00 Diamond 0.2529082E+01 Metallicity 0.6747608E+01 Ellipticity 0.1366068E-02 Gb(Abramov) 0.3600882E+00 Vb(Abramov) -0.5191522E+00 Hb(Abramov) -0.1590640E+00 Ex_ueg -0.9667802E-01 Ec_ueg -0.1290606E-01 Delta_ex -0.9471981E-01 Delta_ec 0.1828662E-01 Delta_et -0.2521912E+00 Pxc 0.7490899E+01 Qxc -0.5179734E+01 3,-1 119 3 -1 0.875977 -3.044134 2.055667 Rho 0.1067792E+00 |GRAD(Rho)| 0.1997449E-15 GRAD(Rho)x -0.1105886E-16 GRAD(Rho)y 0.1938689E-15 GRAD(Rho)z -0.4680365E-16 Laplacian 0.4434785E+00 (-1/4)Del**2(Rho)) -0.1108696E+00 Diamond 0.6157194E+00 Metallicity 0.3734380E+01 Ellipticity 0.7099993E-02 Gb(Abramov) 0.1429180E+00 Vb(Abramov) -0.1749663E+00 Hb(Abramov) -0.3204835E-01 Ex_ueg -0.3741400E-01 Ec_ueg -0.5737512E-02 Delta_ex -0.4418037E-01 Delta_ec 0.1271207E-01 Delta_et -0.1606527E+00 Pxc 0.6520944E+01 Qxc -0.3475467E+01 3,-1 120 3 -1 -0.601060 -2.888819 1.878207 Rho 0.1322051E+00 |GRAD(Rho)| 0.2187556E-15 GRAD(Rho)x -0.1040156E-15 GRAD(Rho)y 0.7176063E-17 GRAD(Rho)z -0.1923104E-15 Laplacian 0.5561455E+00 (-1/4)Del**2(Rho)) -0.1390364E+00 Diamond 0.9912279E+00 Metallicity 0.4251135E+01 Ellipticity 0.2272700E-01 Gb(Abramov) 0.1912013E+00 Vb(Abramov) -0.2433662E+00 Hb(Abramov) -0.5216493E-01 Ex_ueg -0.4974115E-01 Ec_ueg -0.7314308E-02 Delta_ex -0.5818361E-01 Delta_ec 0.1503285E-01 Delta_et -0.1972905E+00 Pxc 0.6800526E+01 Qxc -0.3870430E+01 3,-1 121 3 -1 -0.598254 2.796108 -1.828561 Rho 0.1061452E+00 |GRAD(Rho)| 0.1878557E-14 GRAD(Rho)x 0.1314880E-14 GRAD(Rho)y -0.4024389E-15 GRAD(Rho)z -0.1279887E-14 Laplacian 0.4562873E+00 (-1/4)Del**2(Rho)) -0.1140718E+00 Diamond 0.6375265E+00 Metallicity 0.3593701E+01 Ellipticity 0.5532348E-02 Gb(Abramov) 0.1443712E+00 Vb(Abramov) -0.1746706E+00 Hb(Abramov) -0.3029940E-01 Ex_ueg -0.3711807E-01 Ec_ueg -0.5698785E-02 Delta_ex -0.4552866E-01 Delta_ec 0.1333768E-01 Delta_et -0.1686734E+00 Pxc 0.6513331E+01 Qxc -0.3413536E+01 3,-1 122 3 -1 -0.868768 2.027310 3.010908 Rho 0.1671743E+00 |GRAD(Rho)| 0.8771107E-09 GRAD(Rho)x -0.6385546E-09 GRAD(Rho)y -0.4601754E-09 GRAD(Rho)z 0.3870526E-09 Laplacian 0.6551090E+00 (-1/4)Del**2(Rho)) -0.1637772E+00 Diamond 0.1502455E+01 Metallicity 0.5336406E+01 Ellipticity 0.4083927E-01 Gb(Abramov) 0.2548485E+00 Vb(Abramov) -0.3459197E+00 Hb(Abramov) -0.9107123E-01 Ex_ueg -0.6801601E-01 Ec_ueg -0.9551835E-02 Delta_ex -0.7218242E-01 Delta_ec 0.1602324E-01 Delta_et -0.2159134E+00 Pxc 0.7120727E+01 Qxc -0.4504857E+01 3,-1 123 3 -1 -0.873453 2.994547 1.972268 Rho 0.1328737E+00 |GRAD(Rho)| 0.3019976E-15 GRAD(Rho)x -0.2376436E-15 GRAD(Rho)y 0.1434196E-15 GRAD(Rho)z -0.1189912E-15 Laplacian 0.5236637E+00 (-1/4)Del**2(Rho)) -0.1309159E+00 Diamond 0.9194372E+00 Metallicity 0.4552945E+01 Ellipticity 0.4626099E-01 Gb(Abramov) 0.1866194E+00 Vb(Abramov) -0.2423229E+00 Hb(Abramov) -0.5570352E-01 Ex_ueg -0.5007686E-01 Ec_ueg -0.7356371E-02 Delta_ex -0.5462259E-01 Delta_ec 0.1372881E-01 Delta_et -0.1795642E+00 Pxc 0.6807277E+01 Qxc -0.3978684E+01 3,-1 124 3 -1 -0.085120 3.239418 -3.271446 Rho 0.2190863E+00 |GRAD(Rho)| 0.6007696E-16 GRAD(Rho)x -0.5632430E-16 GRAD(Rho)y 0.8023096E-17 GRAD(Rho)z 0.1929880E-16 Laplacian 0.8191250E+00 (-1/4)Del**2(Rho)) -0.2047812E+00 Diamond 0.2587172E+01 Metallicity 0.6698151E+01 Ellipticity 0.2896388E-02 Gb(Abramov) 0.3651301E+00 Vb(Abramov) -0.5254790E+00 Hb(Abramov) -0.1603489E+00 Ex_ueg -0.9754506E-01 Ec_ueg -0.1300540E-01 Delta_ex -0.9659694E-01 Delta_ec 0.1848556E-01 Delta_et -0.2546134E+00 Pxc 0.7500350E+01 Qxc -0.5225535E+01 3,-1 125 3 -1 0.096734 -3.230136 -3.220115 Rho 0.2417267E+00 |GRAD(Rho)| 0.1265538E-12 GRAD(Rho)x -0.2746249E-13 GRAD(Rho)y 0.8431960E-13 GRAD(Rho)z 0.9028780E-13 Laplacian 0.8865640E+00 (-1/4)Del**2(Rho)) -0.2216410E+00 Diamond 0.3154860E+01 Metallicity 0.7290837E+01 Ellipticity 0.3834429E-02 Gb(Abramov) 0.4170854E+00 Vb(Abramov) -0.6125298E+00 Hb(Abramov) -0.1954444E+00 Ex_ueg -0.1112119E+00 Ec_ueg -0.1455856E-01 Delta_ex -0.1072745E+00 Delta_ec 0.1946952E-01 Delta_et -0.2694220E+00 Pxc 0.7638936E+01 Qxc -0.5509866E+01 3,-1 126 3 -1 0.578693 -2.811576 -1.821523 Rho 0.1512133E+00 |GRAD(Rho)| 0.3401636E-15 GRAD(Rho)x -0.1841517E-15 GRAD(Rho)y 0.4942607E-16 GRAD(Rho)z -0.2817028E-15 Laplacian 0.6196285E+00 (-1/4)Del**2(Rho)) -0.1549071E+00 Diamond 0.1268703E+01 Metallicity 0.4773077E+01 Ellipticity 0.1591278E-01 Gb(Abramov) 0.2265020E+00 Vb(Abramov) -0.2980969E+00 Hb(Abramov) -0.7159491E-01 Ex_ueg -0.5949837E-01 Ec_ueg -0.8521229E-02 Delta_ex -0.6668228E-01 Delta_ec 0.1570430E-01 Delta_et -0.2093220E+00 Pxc 0.6982370E+01 Qxc -0.4246116E+01 3,-1 127 3 -1 1.713375 1.740494 -0.550302 Rho 0.4756087E-01 |GRAD(Rho)| 0.4116314E-16 GRAD(Rho)x 0.1546428E-16 GRAD(Rho)y 0.3780562E-16 GRAD(Rho)z 0.5098503E-17 Laplacian 0.1951037E+00 (-1/4)Del**2(Rho)) -0.4877594E-01 Diamond 0.9181417E-01 Metallicity 0.2205112E+01 Ellipticity 0.1393915E-01 Gb(Abramov) 0.5044335E-01 Vb(Abramov) -0.5211077E-01 Hb(Abramov) -0.1667419E-02 Ex_ueg -0.1272677E-01 Ec_ueg -0.2280498E-02 Delta_ex -0.1583177E-01 Delta_ec 0.5767084E-02 Delta_et -0.6000896E-01 Pxc 0.5580697E+01 Qxc -0.2745195E+01 3,-1 128 3 -1 0.549937 1.833683 2.788205 Rho 0.1489213E+00 |GRAD(Rho)| 0.2528608E-14 GRAD(Rho)x -0.1699541E-14 GRAD(Rho)y 0.1836964E-14 GRAD(Rho)z -0.3619135E-15 Laplacian 0.6229431E+00 (-1/4)Del**2(Rho)) -0.1557358E+00 Diamond 0.1248256E+01 Metallicity 0.4628350E+01 Ellipticity 0.1313272E-01 Gb(Abramov) 0.2239571E+00 Vb(Abramov) -0.2921784E+00 Hb(Abramov) -0.6822134E-01 Ex_ueg -0.5829896E-01 Ec_ueg -0.8374497E-02 Delta_ex -0.6674708E-01 Delta_ec 0.1577562E-01 Delta_et -0.2096601E+00 Pxc 0.6961488E+01 Qxc -0.4231027E+01 3,-1 129 3 -1 0.506574 -1.767591 1.764435 Rho 0.3589109E-01 |GRAD(Rho)| 0.4033708E-16 GRAD(Rho)x -0.9445370E-17 GRAD(Rho)y 0.3612066E-16 GRAD(Rho)z -0.1526967E-16 Laplacian 0.1526319E+00 (-1/4)Del**2(Rho)) -0.3815797E-01 Diamond 0.5301888E-01 Metallicity 0.1763108E+01 Ellipticity 0.1101715E-01 Gb(Abramov) 0.3665142E-01 Vb(Abramov) -0.3514486E-01 Hb(Abramov) 0.1506553E-02 Ex_ueg -0.8743806E-02 Ec_ueg -0.1651291E-02 Delta_ex -0.1181855E-01 Delta_ec 0.5003493E-02 Delta_et -0.4830513E-01 Pxc 0.5295132E+01 Qxc -0.2362061E+01 3,-1 130 3 +3 -0.026237 -2.402145 0.021514 Rho 0.4168829E-02 |GRAD(Rho)| 0.1099505E-15 GRAD(Rho)x -0.5449408E-16 GRAD(Rho)y 0.8107233E-16 GRAD(Rho)z -0.5046577E-16 Laplacian 0.1650288E-01 (-1/4)Del**2(Rho)) -0.4125720E-02 Diamond 0.1297339E-03 Metallicity 0.4508966E+00 Ellipticity -0.2187057E+00 Gb(Abramov) 0.3060525E-02 Vb(Abramov) -0.1995331E-02 Hb(Abramov) 0.1065194E-02 Ex_ueg -0.4955306E-03 Ec_ueg -0.1113214E-03 Delta_ex -0.5894278E-03 Delta_ec 0.1568953E-03 Delta_et -0.9557332E-03 Pxc 0.4451352E+01 Qxc -0.3756822E+01 3,+3 131 3 -1 -0.026076 -0.018549 -2.936476 Rho 0.5609845E-02 |GRAD(Rho)| 0.1549227E-16 GRAD(Rho)x 0.9629292E-17 GRAD(Rho)y -0.1213403E-16 GRAD(Rho)z 0.2285708E-18 Laplacian 0.2206832E-01 (-1/4)Del**2(Rho)) -0.5517080E-02 Diamond 0.6780281E-03 Metallicity 0.5530469E+00 Ellipticity 0.2639405E+01 Gb(Abramov) 0.4186587E-02 Vb(Abramov) -0.2856095E-02 Hb(Abramov) 0.1330493E-02 Ex_ueg -0.7361837E-03 Ec_ueg -0.1732506E-03 Delta_ex -0.1183595E-02 Delta_ec 0.8047689E-03 Delta_et -0.4480304E-02 Pxc 0.4249242E+01 Qxc -0.1470726E+01 3,-1 132 3 +1 1.639495 0.528415 0.527262 Rho 0.9023704E-02 |GRAD(Rho)| 0.5070898E-15 GRAD(Rho)x 0.1585004E-15 GRAD(Rho)y -0.1890348E-15 GRAD(Rho)z 0.4430390E-15 Laplacian 0.3495310E-01 (-1/4)Del**2(Rho)) -0.8738275E-02 Diamond 0.1010869E-02 Metallicity 0.7710848E+00 Ellipticity -0.1489313E+01 Gb(Abramov) 0.6948509E-02 Vb(Abramov) -0.5158742E-02 Hb(Abramov) 0.1789766E-02 Ex_ueg -0.1387495E-02 Ec_ueg -0.3239774E-03 Delta_ex -0.1621507E-02 Delta_ec 0.5009717E-03 Delta_et -0.3459356E-02 Pxc 0.4282691E+01 Qxc -0.3236723E+01 3,+1 133 3 -1 0.042555 3.237671 3.188859 Rho 0.2422794E+00 |GRAD(Rho)| 0.3054556E-15 GRAD(Rho)x 0.1089623E-16 GRAD(Rho)y -0.5963112E-17 GRAD(Rho)z 0.3052029E-15 Laplacian 0.8814689E+00 (-1/4)Del**2(Rho)) -0.2203672E+00 Diamond 0.3152262E+01 Metallicity 0.7360947E+01 Ellipticity 0.3688980E-02 Gb(Abramov) 0.4172634E+00 Vb(Abramov) -0.6141595E+00 Hb(Abramov) -0.1968962E+00 Ex_ueg -0.1115511E+00 Ec_ueg -0.1459682E-01 Delta_ex -0.1067579E+00 Delta_ec 0.1940918E-01 Delta_et -0.2688958E+00 Pxc 0.7642146E+01 Qxc -0.5500385E+01 3,-1 134 3 -1 0.526172 1.737643 -1.765595 Rho 0.4258679E-01 |GRAD(Rho)| 0.3193510E-16 GRAD(Rho)x 0.2845395E-16 GRAD(Rho)y 0.7586874E-17 GRAD(Rho)z -0.1235567E-16 Laplacian 0.1843522E+00 (-1/4)Del**2(Rho)) -0.4608806E-01 Diamond 0.8058910E-01 Metallicity 0.1941287E+01 Ellipticity 0.1463605E-01 Gb(Abramov) 0.4563706E-01 Vb(Abramov) -0.4518606E-01 Hb(Abramov) 0.4509976E-03 Ex_ueg -0.1098378E-01 Ec_ueg -0.2009395E-02 Delta_ex -0.1486816E-01 Delta_ec 0.6019141E-02 Delta_et -0.6091717E-01 Pxc 0.5466211E+01 Qxc -0.2470146E+01 3,-1 135 3 -1 0.473382 -0.483916 0.454263 Rho 0.1832743E+00 |GRAD(Rho)| 0.5051829E-15 GRAD(Rho)x -0.7285839E-16 GRAD(Rho)y -0.4996004E-15 GRAD(Rho)z 0.1734723E-16 Laplacian 0.4903779E+00 (-1/4)Del**2(Rho)) -0.1225945E+00 Diamond 0.1289240E+01 Metallicity 0.8309691E+01 Ellipticity 0.4422117E-02 Gb(Abramov) 0.2515167E+00 Vb(Abramov) -0.3804389E+00 Hb(Abramov) -0.1289222E+00 Ex_ueg -0.7688716E-01 Ec_ueg -0.1060659E-01 Delta_ex -0.5554813E-01 Delta_ec 0.1216171E-01 Delta_et -0.1669115E+00 Pxc 0.7248997E+01 Qxc -0.4567460E+01 3,-1 136 3 -1 0.471041 0.467393 -0.494732 Rho 0.1856735E+00 |GRAD(Rho)| 0.7749182E-14 GRAD(Rho)x -0.4586609E-14 GRAD(Rho)y -0.4413137E-14 GRAD(Rho)z 0.4420075E-14 Laplacian 0.5074745E+00 (-1/4)Del**2(Rho)) -0.1268686E+00 Diamond 0.1353187E+01 Metallicity 0.8205694E+01 Ellipticity 0.4537588E-02 Gb(Abramov) 0.2580866E+00 Vb(Abramov) -0.3893046E+00 Hb(Abramov) -0.1312180E+00 Ex_ueg -0.7823207E-01 Ec_ueg -0.1076505E-01 Delta_ex -0.5765779E-01 Delta_ec 0.1251611E-01 Delta_et -0.1719378E+00 Pxc 0.7267231E+01 Qxc -0.4606688E+01 3,-1 137 3 +1 2.895043 0.223626 -0.193949 Rho 0.5790894E-02 |GRAD(Rho)| 0.1005792E-11 GRAD(Rho)x 0.2926514E-12 GRAD(Rho)y 0.6788116E-12 GRAD(Rho)z -0.6820471E-12 Laplacian 0.2411197E-01 (-1/4)Del**2(Rho)) -0.6027992E-02 Diamond 0.6205040E-03 Metallicity 0.5336910E+00 Ellipticity -0.2265814E+01 Gb(Abramov) 0.4554842E-02 Vb(Abramov) -0.3081692E-02 Hb(Abramov) 0.1473150E-02 Ex_ueg -0.7680318E-03 Ec_ueg -0.1811054E-03 Delta_ex -0.1184367E-02 Delta_ec 0.6712569E-03 Delta_et -0.3844505E-02 Pxc 0.4240801E+01 Qxc -0.1764402E+01 3,+1 138 3 +1 2.195495 -1.165924 1.279763 Rho 0.2751151E-01 |GRAD(Rho)| 0.2140292E-16 GRAD(Rho)x -0.2011537E-16 GRAD(Rho)y 0.2496892E-17 GRAD(Rho)z 0.6871860E-17 Laplacian 0.1055148E+00 (-1/4)Del**2(Rho)) -0.2637869E-01 Diamond 0.1645458E-01 Metallicity 0.1637410E+01 Ellipticity -0.8232208E+01 Gb(Abramov) 0.2478458E-01 Vb(Abramov) -0.2319047E-01 Hb(Abramov) 0.1594108E-02 Ex_ueg -0.6133914E-02 Ec_ueg -0.1215978E-02 Delta_ex -0.6800776E-02 Delta_ec 0.1911634E-02 Delta_et -0.1725145E-01 Pxc 0.5044430E+01 Qxc -0.3557572E+01 3,+1 139 3 -1 0.858360 -1.988564 3.057204 Rho 0.9671571E-01 |GRAD(Rho)| 0.2941533E-15 GRAD(Rho)x 0.2494681E-15 GRAD(Rho)y 0.1263909E-15 GRAD(Rho)z 0.9119834E-16 Laplacian 0.4010095E+00 (-1/4)Del**2(Rho)) -0.1002524E+00 Diamond 0.4962465E+00 Metallicity 0.3501763E+01 Ellipticity 0.1572374E-01 Gb(Abramov) 0.1253449E+00 Vb(Abramov) -0.1504375E+00 Hb(Abramov) -0.2509256E-01 Ex_ueg -0.3278796E-01 Ec_ueg -0.5126534E-02 Delta_ex -0.3908503E-01 Delta_ec 0.1181356E-01 Delta_et -0.1464025E+00 Pxc 0.6395736E+01 Qxc -0.3308489E+01 3,-1 140 3 +1 1.750033 -1.738398 -1.758833 Rho 0.1222260E-01 |GRAD(Rho)| 0.2234950E-16 GRAD(Rho)x 0.6554557E-17 GRAD(Rho)y -0.1602963E-16 GRAD(Rho)z 0.1412759E-16 Laplacian 0.6024521E-01 (-1/4)Del**2(Rho)) -0.1506130E-01 Diamond 0.2407724E-02 Metallicity 0.7418167E+00 Ellipticity -0.1245167E+01 Gb(Abramov) 0.1190299E-01 Vb(Abramov) -0.8744676E-02 Hb(Abramov) 0.3158313E-02 Ex_ueg -0.2079393E-02 Ec_ueg -0.4698547E-03 Delta_ex -0.2956561E-02 Delta_ec 0.7477760E-03 Delta_et -0.5658341E-02 Pxc 0.4425608E+01 Qxc -0.3953806E+01 3,+1 141 3 -1 1.722570 -1.717493 0.548908 Rho 0.5228867E-01 |GRAD(Rho)| 0.6709712E-14 GRAD(Rho)x -0.1549228E-14 GRAD(Rho)y 0.4928959E-14 GRAD(Rho)z 0.4280828E-14 Laplacian 0.2271275E+00 (-1/4)Del**2(Rho)) -0.5678187E-01 Diamond 0.1295786E+00 Metallicity 0.2218313E+01 Ellipticity 0.2519787E-01 Gb(Abramov) 0.5884791E-01 Vb(Abramov) -0.6091395E-01 Hb(Abramov) -0.2066039E-02 Ex_ueg -0.1444093E-01 Ec_ueg -0.2541769E-02 Delta_ex -0.1920074E-01 Delta_ec 0.7288506E-02 Delta_et -0.7792545E-01 Pxc 0.5681451E+01 Qxc -0.2634386E+01 3,-1 142 3 +1 0.987247 -1.470613 2.195667 Rho 0.2399652E-01 |GRAD(Rho)| 0.1976488E-16 GRAD(Rho)x -0.1535799E-16 GRAD(Rho)y 0.1369811E-17 GRAD(Rho)z -0.1236553E-16 Laplacian 0.9129674E-01 (-1/4)Del**2(Rho)) -0.2282418E-01 Diamond 0.9391800E-02 Metallicity 0.1506855E+01 Ellipticity -0.2115468E+01 Gb(Abramov) 0.2094825E-01 Vb(Abramov) -0.1907231E-01 Hb(Abramov) 0.1875938E-02 Ex_ueg -0.5111903E-02 Ec_ueg -0.1038324E-02 Delta_ex -0.5399190E-02 Delta_ec 0.1161333E-02 Delta_et -0.1024970E-01 Pxc 0.4923225E+01 Qxc -0.4649132E+01 3,+1 143 3 -1 1.801455 -0.556182 -2.796360 Rho 0.1469578E+00 |GRAD(Rho)| 0.5601502E-13 GRAD(Rho)x 0.3703851E-14 GRAD(Rho)y -0.5340296E-13 GRAD(Rho)z 0.1649508E-13 Laplacian 0.6070796E+00 (-1/4)Del**2(Rho)) -0.1517699E+00 Diamond 0.1195309E+01 Metallicity 0.4645389E+01 Ellipticity 0.1290964E-01 Gb(Abramov) 0.2186850E+00 Vb(Abramov) -0.2856000E+00 Hb(Abramov) -0.6691507E-01 Ex_ueg -0.5727636E-01 Ec_ueg -0.8249057E-02 Delta_ex -0.6481603E-01 Delta_ec 0.1538942E-01 Delta_et -0.2040673E+00 Pxc 0.6943382E+01 Qxc -0.4211726E+01 3,-1 144 3 -1 0.863040 3.028049 -2.018291 Rho 0.1159951E+00 |GRAD(Rho)| 0.2593798E-14 GRAD(Rho)x -0.1886119E-14 GRAD(Rho)y -0.9237267E-15 GRAD(Rho)z -0.1522193E-14 Laplacian 0.4769079E+00 (-1/4)Del**2(Rho)) -0.1192270E+00 Diamond 0.7301068E+00 Metallicity 0.3986374E+01 Ellipticity 0.9469366E-02 Gb(Abramov) 0.1586985E+00 Vb(Abramov) -0.1981701E+00 Hb(Abramov) -0.3947157E-01 Ex_ueg -0.4178027E-01 Ec_ueg -0.6303774E-02 Delta_ex -0.4841917E-01 Delta_ec 0.1338356E-01 Delta_et -0.1717944E+00 Pxc 0.6627819E+01 Qxc -0.3617810E+01 3,-1 145 3 -1 1.723597 0.538511 -1.751399 Rho 0.4674841E-01 |GRAD(Rho)| 0.1538000E-13 GRAD(Rho)x -0.9952077E-14 GRAD(Rho)y 0.1152924E-13 GRAD(Rho)z -0.2139434E-14 Laplacian 0.1908375E+00 (-1/4)Del**2(Rho)) -0.4770937E-01 Diamond 0.8763865E-01 Metallicity 0.2190589E+01 Ellipticity 0.1233901E-01 Gb(Abramov) 0.4922485E-01 Vb(Abramov) -0.5074032E-01 Hb(Abramov) -0.1515478E-02 Ex_ueg -0.1243772E-01 Ec_ueg -0.2235942E-02 Delta_ex -0.1541455E-01 Delta_ec 0.5634254E-02 Delta_et -0.5836014E-01 Pxc 0.5562631E+01 Qxc -0.2735864E+01 3,-1 146 3 -1 1.811048 0.594232 2.799093 Rho 0.1286106E+00 |GRAD(Rho)| 0.2378049E-09 GRAD(Rho)x -0.1713716E-09 GRAD(Rho)y 0.1580732E-09 GRAD(Rho)z 0.4685943E-10 Laplacian 0.5405140E+00 (-1/4)Del**2(Rho)) -0.1351285E+00 Diamond 0.9128261E+00 Metallicity 0.4177668E+01 Ellipticity 0.1007002E-01 Gb(Abramov) 0.1841727E+00 Vb(Abramov) -0.2332168E+00 Hb(Abramov) -0.4904417E-01 Ex_ueg -0.4794617E-01 Ec_ueg -0.7088690E-02 Delta_ex -0.5594197E-01 Delta_ec 0.1428727E-01 Delta_et -0.1858940E+00 Pxc 0.6763755E+01 Qxc -0.3915511E+01 3,-1 147 3 +1 1.069841 1.402945 -2.210102 Rho 0.2629674E-01 |GRAD(Rho)| 0.5846152E-16 GRAD(Rho)x -0.3099006E-17 GRAD(Rho)y 0.8649454E-17 GRAD(Rho)z 0.5773502E-16 Laplacian 0.1015042E+00 (-1/4)Del**2(Rho)) -0.2537606E-01 Diamond 0.1314689E-01 Metallicity 0.1578697E+01 Ellipticity -0.2876434E+01 Gb(Abramov) 0.2359422E-01 Vb(Abramov) -0.2181239E-01 Hb(Abramov) 0.1781834E-02 Ex_ueg -0.5775473E-02 Ec_ueg -0.1154222E-02 Delta_ex -0.6288740E-02 Delta_ec 0.1525589E-02 Delta_et -0.1367200E-01 Pxc 0.5003780E+01 Qxc -0.4122171E+01 3,+1 148 3 -1 2.014705 0.853521 -3.038579 Rho 0.1489697E+00 |GRAD(Rho)| 0.2624606E-15 GRAD(Rho)x -0.1686341E-15 GRAD(Rho)y 0.1298061E-15 GRAD(Rho)z -0.1536179E-15 Laplacian 0.5858274E+00 (-1/4)Del**2(Rho)) -0.1464568E+00 Diamond 0.1172834E+01 Metallicity 0.4924251E+01 Ellipticity 0.2801351E-01 Gb(Abramov) 0.2178363E+00 Vb(Abramov) -0.2892157E+00 Hb(Abramov) -0.7137943E-01 Ex_ueg -0.5832424E-01 Ec_ueg -0.8377594E-02 Delta_ex -0.6276007E-01 Delta_ec 0.1480743E-01 Delta_et -0.1967395E+00 Pxc 0.6961932E+01 Qxc -0.4238419E+01 3,-1 149 3 -1 1.811690 -2.774000 -0.554516 Rho 0.1234404E+00 |GRAD(Rho)| 0.9970552E-16 GRAD(Rho)x -0.6026809E-16 GRAD(Rho)y 0.1248188E-16 GRAD(Rho)z -0.7844203E-16 Laplacian 0.5313562E+00 (-1/4)Del**2(Rho)) -0.1328391E+00 Diamond 0.8741973E+00 Metallicity 0.3968773E+01 Ellipticity 0.1849279E-01 Gb(Abramov) 0.1764274E+00 Vb(Abramov) -0.2200157E+00 Hb(Abramov) -0.4358832E-01 Ex_ueg -0.4539362E-01 Ec_ueg -0.6765687E-02 Delta_ex -0.5471410E-01 Delta_ec 0.1464371E-01 Delta_et -0.1900161E+00 Pxc 0.6709388E+01 Qxc -0.3736355E+01 3,-1 150 3 -1 2.026655 -2.995794 0.903572 Rho 0.1568892E+00 |GRAD(Rho)| 0.2530874E-15 GRAD(Rho)x 0.2265169E-15 GRAD(Rho)y -0.4095574E-16 GRAD(Rho)z -0.1051947E-15 Laplacian 0.6295431E+00 (-1/4)Del**2(Rho)) -0.1573858E+00 Diamond 0.1364465E+01 Metallicity 0.4995466E+01 Ellipticity 0.2739544E-01 Gb(Abramov) 0.2359597E+00 Vb(Abramov) -0.3145337E+00 Hb(Abramov) -0.7857396E-01 Ex_ueg -0.6249458E-01 Ec_ueg -0.8885969E-02 Delta_ex -0.6852853E-01 Delta_ec 0.1609615E-01 Delta_et -0.2163186E+00 Pxc 0.7032951E+01 Qxc -0.4257447E+01 3,-1 151 3 +1 2.900687 -0.155712 0.189810 Rho 0.5815031E-02 |GRAD(Rho)| 0.5175858E-16 GRAD(Rho)x 0.3930247E-16 GRAD(Rho)y -0.2697978E-16 GRAD(Rho)z 0.2015832E-16 Laplacian 0.2366097E-01 (-1/4)Del**2(Rho)) -0.5915243E-02 Diamond 0.6141469E-03 Metallicity 0.5476470E+00 Ellipticity -0.2496683E+01 Gb(Abramov) 0.4483406E-02 Vb(Abramov) -0.3051569E-02 Hb(Abramov) 0.1431837E-02 Ex_ueg -0.7723031E-03 Ec_ueg -0.1821538E-03 Delta_ex -0.1164596E-02 Delta_ec 0.6611794E-03 Delta_et -0.3790331E-02 Pxc 0.4239841E+01 Qxc -0.1761392E+01 3,+1 152 3 -1 1.772526 2.790260 0.541436 Rho 0.1435104E+00 |GRAD(Rho)| 0.1236147E-11 GRAD(Rho)x -0.9061365E-12 GRAD(Rho)y 0.2639943E-12 GRAD(Rho)z 0.7982997E-12 Laplacian 0.5943185E+00 (-1/4)Del**2(Rho)) -0.1485796E+00 Diamond 0.1140236E+01 Metallicity 0.4561065E+01 Ellipticity 0.1181186E-01 Gb(Abramov) 0.2120000E+00 Vb(Abramov) -0.2754203E+00 Hb(Abramov) -0.6342035E-01 Ex_ueg -0.5549190E-01 Ec_ueg -0.8029390E-02 Delta_ex -0.6311666E-01 Delta_ec 0.1521005E-01 Delta_et -0.2011254E+00 Pxc 0.6911098E+01 Qxc -0.4149668E+01 3,-1 153 3 -1 1.988990 3.028507 -0.858806 Rho 0.1526974E+00 |GRAD(Rho)| 0.4892530E-15 GRAD(Rho)x 0.2808084E-15 GRAD(Rho)y 0.2760650E-16 GRAD(Rho)z 0.3996911E-15 Laplacian 0.5969716E+00 (-1/4)Del**2(Rho)) -0.1492429E+00 Diamond 0.1232072E+01 Metallicity 0.5035534E+01 Ellipticity 0.3000702E-01 Gb(Abramov) 0.2247482E+00 Vb(Abramov) -0.3002536E+00 Hb(Abramov) -0.7550532E-01 Ex_ueg -0.6027824E-01 Ec_ueg -0.8616410E-02 Delta_ex -0.6435334E-01 Delta_ec 0.1501231E-01 Delta_et -0.2001751E+00 Pxc 0.6995749E+01 Qxc -0.4286705E+01 3,-1 154 3 -1 2.979472 2.005914 -0.863885 Rho 0.1390294E+00 |GRAD(Rho)| 0.4341079E-12 GRAD(Rho)x -0.1693933E-12 GRAD(Rho)y 0.2511019E-12 GRAD(Rho)z 0.3109717E-12 Laplacian 0.5438435E+00 (-1/4)Del**2(Rho)) -0.1359609E+00 Diamond 0.1005978E+01 Metallicity 0.4727701E+01 Ellipticity 0.4256427E-01 Gb(Abramov) 0.1977710E+00 Vb(Abramov) -0.2595811E+00 Hb(Abramov) -0.6181011E-01 Ex_ueg -0.5319372E-01 Ec_ueg -0.7744977E-02 Delta_ex -0.5732854E-01 Delta_ec 0.1405801E-01 Delta_et -0.1850819E+00 Pxc 0.6868158E+01 Qxc -0.4077999E+01 3,-1 155 3 +1 0.977812 -2.180570 1.516904 Rho 0.2495320E-01 |GRAD(Rho)| 0.5589068E-15 GRAD(Rho)x -0.1848440E-15 GRAD(Rho)y -0.3899619E-15 GRAD(Rho)z 0.3551609E-15 Laplacian 0.9551802E-01 (-1/4)Del**2(Rho)) -0.2387950E-01 Diamond 0.9703324E-02 Metallicity 0.1537228E+01 Ellipticity -0.1929088E+01 Gb(Abramov) 0.2203771E-01 Vb(Abramov) -0.2019592E-01 Hb(Abramov) 0.1841793E-02 Ex_ueg -0.5385427E-02 Ec_ueg -0.1086358E-02 Delta_ex -0.5637536E-02 Delta_ec 0.1084897E-02 Delta_et -0.9697212E-02 Pxc 0.4957321E+01 Qxc -0.5196381E+01 3,+1 156 3 -1 2.740055 1.821970 0.552462 Rho 0.1418896E+00 |GRAD(Rho)| 0.3182010E-15 GRAD(Rho)x -0.1019353E-15 GRAD(Rho)y 0.2311112E-15 GRAD(Rho)z -0.1935165E-15 Laplacian 0.5977423E+00 (-1/4)Del**2(Rho)) -0.1494356E+00 Diamond 0.1127884E+01 Metallicity 0.4449898E+01 Ellipticity 0.1215973E-01 Gb(Abramov) 0.2104526E+00 Vb(Abramov) -0.2714696E+00 Hb(Abramov) -0.6101700E-01 Ex_ueg -0.5465784E-01 Ec_ueg -0.7926370E-02 Delta_ex -0.6326811E-01 Delta_ec 0.1527559E-01 Delta_et -0.2015171E+00 Pxc 0.6895696E+01 Qxc -0.4141779E+01 3,-1 157 3 -1 2.768717 -1.764444 -0.534736 Rho 0.1232804E+00 |GRAD(Rho)| 0.3842665E-16 GRAD(Rho)x -0.1463673E-17 GRAD(Rho)y -0.3748629E-16 GRAD(Rho)z 0.8321252E-17 Laplacian 0.5382773E+00 (-1/4)Del**2(Rho)) -0.1345693E+00 Diamond 0.8764197E+00 Metallicity 0.3909286E+01 Ellipticity 0.3006557E-01 Gb(Abramov) 0.1773912E+00 Vb(Abramov) -0.2202131E+00 Hb(Abramov) -0.4282188E-01 Ex_ueg -0.4531521E-01 Ec_ueg -0.6755723E-02 Delta_ex -0.5530898E-01 Delta_ec 0.1465905E-01 Delta_et -0.1898735E+00 Pxc 0.6707677E+01 Qxc -0.3773025E+01 3,-1 158 3 -1 2.771974 -0.534499 -1.812916 Rho 0.1479546E+00 |GRAD(Rho)| 0.3223751E-13 GRAD(Rho)x -0.1463043E-13 GRAD(Rho)y -0.2563927E-13 GRAD(Rho)z 0.1295513E-13 Laplacian 0.6073942E+00 (-1/4)Del**2(Rho)) -0.1518485E+00 Diamond 0.1211717E+01 Metallicity 0.4695588E+01 Ellipticity 0.1524766E-01 Gb(Abramov) 0.2200687E+00 Vb(Abramov) -0.2882889E+00 Hb(Abramov) -0.6822020E-01 Ex_ueg -0.5779493E-01 Ec_ueg -0.8312708E-02 Delta_ex -0.6501862E-01 Delta_ec 0.1548100E-01 Delta_et -0.2057257E+00 Pxc 0.6952599E+01 Qxc -0.4199897E+01 3,-1 159 3 -1 2.898607 0.020528 0.011084 Rho 0.5867465E-02 |GRAD(Rho)| 0.1568217E-14 GRAD(Rho)x -0.3544098E-15 GRAD(Rho)y -0.1077018E-14 GRAD(Rho)z 0.1083389E-14 Laplacian 0.2336430E-01 (-1/4)Del**2(Rho)) -0.5841074E-02 Diamond 0.7683086E-03 Metallicity 0.5629605E+00 Ellipticity 0.2246942E+01 Gb(Abramov) 0.4442098E-02 Vb(Abramov) -0.3043123E-02 Hb(Abramov) 0.1398976E-02 Ex_ueg -0.7816021E-03 Ec_ueg -0.1844322E-03 Delta_ex -0.1268009E-02 Delta_ec 0.8598063E-03 Delta_et -0.4849791E-02 Pxc 0.4237882E+01 Qxc -0.1474762E+01 3,-1 160 3 -1 3.022459 -1.932104 0.901061 Rho 0.1225899E+00 |GRAD(Rho)| 0.3315230E-15 GRAD(Rho)x -0.1650020E-15 GRAD(Rho)y 0.1249543E-16 GRAD(Rho)z -0.2872729E-15 Laplacian 0.4948141E+00 (-1/4)Del**2(Rho)) -0.1237035E+00 Diamond 0.8081582E+00 Metallicity 0.4213037E+01 Ellipticity 0.2367982E-01 Gb(Abramov) 0.1693303E+00 Vb(Abramov) -0.2149570E+00 Hb(Abramov) -0.4562675E-01 Ex_ueg -0.4497706E-01 Ec_ueg -0.6712724E-02 Delta_ex -0.5087847E-01 Delta_ec 0.1367755E-01 Delta_et -0.1772930E+00 Pxc 0.6700270E+01 Qxc -0.3719852E+01 3,-1 161 3 +3 2.282231 0.020152 0.003046 Rho 0.4959370E-02 |GRAD(Rho)| 0.1861635E-13 GRAD(Rho)x -0.9827254E-14 GRAD(Rho)y -0.1448888E-13 GRAD(Rho)z -0.6329756E-14 Laplacian 0.2040377E-01 (-1/4)Del**2(Rho)) -0.5100942E-02 Diamond 0.1922276E-03 Metallicity 0.4870951E+00 Ellipticity -0.3149926E+00 Gb(Abramov) 0.3814735E-02 Vb(Abramov) -0.2528528E-02 Hb(Abramov) 0.1286207E-02 Ex_ueg -0.6246266E-03 Ec_ueg -0.1451648E-03 Delta_ex -0.7515210E-03 Delta_ec 0.1759009E-03 Delta_et -0.1141766E-02 Pxc 0.4302880E+01 Qxc -0.4272410E+01 3,+3 162 3 -1 3.187921 3.210384 0.073085 Rho 0.2407914E+00 |GRAD(Rho)| 0.4511949E-14 GRAD(Rho)x 0.2947620E-14 GRAD(Rho)y -0.1269492E-14 GRAD(Rho)z 0.3171373E-14 Laplacian 0.8818980E+00 (-1/4)Del**2(Rho)) -0.2204745E+00 Diamond 0.3124064E+01 Metallicity 0.7282210E+01 Ellipticity 0.2724323E-02 Gb(Abramov) 0.4145732E+00 Vb(Abramov) -0.6086720E+00 Hb(Abramov) -0.1940988E+00 Ex_ueg -0.1106385E+00 Ec_ueg -0.1449384E-01 Delta_ex -0.1066040E+00 Delta_ec 0.1939339E-01 Delta_et -0.2683539E+00 Pxc 0.7633487E+01 Qxc -0.5496924E+01 3,-1 163 3 -1 3.272018 -3.200885 -0.032035 Rho 0.1465877E+00 |GRAD(Rho)| 0.7666557E-13 GRAD(Rho)x -0.5302380E-13 GRAD(Rho)y 0.5483396E-13 GRAD(Rho)z 0.7702145E-14 Laplacian 0.5850359E+00 (-1/4)Del**2(Rho)) -0.1462590E+00 Diamond 0.1197733E+01 Metallicity 0.4800205E+01 Ellipticity 0.1094020E+00 Gb(Abramov) 0.2145182E+00 Vb(Abramov) -0.2827773E+00 Hb(Abramov) -0.6825918E-01 Ex_ueg -0.5708408E-01 Ec_ueg -0.8225435E-02 Delta_ex -0.6293036E-01 Delta_ec 0.1574421E-01 Delta_et -0.2107265E+00 Pxc 0.6939947E+01 Qxc -0.3997048E+01 3,-1 164 3 -1 4.053731 -4.372591 0.185871 Rho 0.3350817E+00 |GRAD(Rho)| 0.1734356E-11 GRAD(Rho)x 0.9587270E-12 GRAD(Rho)y 0.9248935E-12 GRAD(Rho)z -0.1110588E-11 Laplacian -0.1752954E+01 (-1/4)Del**2(Rho)) 0.4382385E+00 Diamond 0.6362928E+01 Metallicity -0.6354682E+01 Ellipticity 0.1917212E-02 Gb(Abramov) 0.1719854E+00 Vb(Abramov) -0.7822094E+00 Hb(Abramov) -0.6102240E+00 Ex_ueg -0.1718908E+00 Ec_ueg -0.2126047E-01 Delta_ex 0.1781246E+00 Delta_ec 0.6048545E-01 Delta_et -0.1465698E+01 Pxc 0.8084995E+01 Qxc 0.2944917E+01 3,-1 165 3 -1 -3.233464 3.179279 -0.102730 Rho 0.1613696E+00 |GRAD(Rho)| 0.2959283E-12 GRAD(Rho)x 0.1908866E-12 GRAD(Rho)y -0.2127915E-12 GRAD(Rho)z 0.7652222E-13 Laplacian 0.6111075E+00 (-1/4)Del**2(Rho)) -0.1527769E+00 Diamond 0.1383291E+01 Metallicity 0.5393429E+01 Ellipticity 0.1152847E+00 Gb(Abramov) 0.2391831E+00 Vb(Abramov) -0.3255894E+00 Hb(Abramov) -0.8640625E-01 Ex_ueg -0.6488544E-01 Ec_ueg -0.9175259E-02 Delta_ex -0.6710516E-01 Delta_ec 0.1572834E-01 Delta_et -0.2127089E+00 Pxc 0.7071783E+01 Qxc -0.4266512E+01 3,-1 166 3 -1 0.529299 2.782353 1.796896 Rho 0.1306002E+00 |GRAD(Rho)| 0.1448022E-15 GRAD(Rho)x -0.9913674E-16 GRAD(Rho)y -0.1047610E-15 GRAD(Rho)z 0.1283424E-16 Laplacian 0.5499007E+00 (-1/4)Del**2(Rho)) -0.1374752E+00 Diamond 0.9392376E+00 Metallicity 0.4212781E+01 Ellipticity 0.7280423E-02 Gb(Abramov) 0.1881756E+00 Vb(Abramov) -0.2388760E+00 Hb(Abramov) -0.5070041E-01 Ex_ueg -0.4893772E-01 Ec_ueg -0.7213473E-02 Delta_ex -0.5704361E-01 Delta_ec 0.1433831E-01 Delta_et -0.1867578E+00 Pxc 0.6784211E+01 Qxc -0.3978404E+01 3,-1 167 3 -1 -0.837911 -2.020288 -3.022568 Rho 0.1283549E+00 |GRAD(Rho)| 0.1715655E-15 GRAD(Rho)x -0.1097619E-15 GRAD(Rho)y -0.2260562E-16 GRAD(Rho)z -0.1299077E-15 Laplacian 0.5055902E+00 (-1/4)Del**2(Rho)) -0.1263976E+00 Diamond 0.8500471E+00 Metallicity 0.4451456E+01 Ellipticity 0.3377172E-01 Gb(Abramov) 0.1780406E+00 Vb(Abramov) -0.2296836E+00 Hb(Abramov) -0.5164302E-01 Ex_ueg -0.4781915E-01 Ec_ueg -0.7072678E-02 Delta_ex -0.5228083E-01 Delta_ec 0.1333192E-01 Delta_et -0.1733368E+00 Pxc 0.6761109E+01 Qxc -0.3921477E+01 3,-1 168 3 -1 -0.608597 -1.864378 2.903302 Rho 0.1276445E+00 |GRAD(Rho)| 0.4694533E-15 GRAD(Rho)x 0.1194384E-15 GRAD(Rho)y 0.4529797E-15 GRAD(Rho)z -0.3049996E-16 Laplacian 0.5433370E+00 (-1/4)Del**2(Rho)) -0.1358343E+00 Diamond 0.9317892E+00 Metallicity 0.4104062E+01 Ellipticity 0.2370664E-01 Gb(Abramov) 0.1834682E+00 Vb(Abramov) -0.2311022E+00 Hb(Abramov) -0.4763396E-01 Ex_ueg -0.4746656E-01 Ec_ueg -0.7028198E-02 Delta_ex -0.5640990E-01 Delta_ec 0.1488326E-01 Delta_et -0.1943023E+00 Pxc 0.6753731E+01 Qxc -0.3790157E+01 3,-1 169 3 -1 0.879542 1.997866 -3.058025 Rho 0.1209100E+00 |GRAD(Rho)| 0.2562989E-15 GRAD(Rho)x -0.5284130E-16 GRAD(Rho)y 0.2507895E-15 GRAD(Rho)z -0.1240056E-17 Laplacian 0.4940970E+00 (-1/4)Del**2(Rho)) -0.1235242E+00 Diamond 0.7963063E+00 Metallicity 0.4123232E+01 Ellipticity 0.1152677E-01 Gb(Abramov) 0.1672360E+00 Vb(Abramov) -0.2109478E+00 Hb(Abramov) -0.4371176E-01 Ex_ueg -0.4415716E-01 Ec_ueg -0.6608263E-02 Delta_ex -0.5067339E-01 Delta_ec 0.1376283E-01 Delta_et -0.1780567E+00 Pxc 0.6682113E+01 Qxc -0.3681901E+01 3,-1 170 3 -1 2.022766 -0.814387 3.043756 Rho 0.1688178E+00 |GRAD(Rho)| 0.1094814E-15 GRAD(Rho)x 0.1301043E-16 GRAD(Rho)y -0.5236696E-16 GRAD(Rho)z -0.9526071E-16 Laplacian 0.6600951E+00 (-1/4)Del**2(Rho)) -0.1650238E+00 Diamond 0.1530855E+01 Metallicity 0.5383160E+01 Ellipticity 0.4342707E-01 Gb(Abramov) 0.2580741E+00 Vb(Abramov) -0.3511243E+00 Hb(Abramov) -0.9305029E-01 Ex_ueg -0.6890904E-01 Ec_ueg -0.9658817E-02 Delta_ex -0.7290197E-01 Delta_ec 0.1609036E-01 Delta_et -0.2170251E+00 Pxc 0.7134314E+01 Qxc -0.4530787E+01 3,-1 171 3 -1 1.735431 -0.537279 1.746968 Rho 0.4245142E-01 |GRAD(Rho)| 0.3558840E-16 GRAD(Rho)x -0.3475969E-16 GRAD(Rho)y 0.4923379E-19 GRAD(Rho)z 0.7635155E-17 Laplacian 0.1716571E+00 (-1/4)Del**2(Rho)) -0.4291427E-01 Diamond 0.6867201E-01 Metallicity 0.2073823E+01 Ellipticity 0.2818416E-01 Gb(Abramov) 0.4344229E-01 Vb(Abramov) -0.4397030E-01 Hb(Abramov) -0.5280116E-03 Ex_ueg -0.1093725E-01 Ec_ueg -0.2002074E-02 Delta_ex -0.1350953E-01 Delta_ec 0.5026268E-02 Delta_et -0.5074200E-01 Pxc 0.5462958E+01 Qxc -0.2687785E+01 3,-1 172 3 -1 2.988384 0.863463 -2.003839 Rho 0.1335925E+00 |GRAD(Rho)| 0.2335689E-15 GRAD(Rho)x -0.1981108E-15 GRAD(Rho)y 0.1172700E-15 GRAD(Rho)z -0.3942430E-16 Laplacian 0.5189801E+00 (-1/4)Del**2(Rho)) -0.1297450E+00 Diamond 0.9170011E+00 Metallicity 0.4635527E+01 Ellipticity 0.3226843E-01 Gb(Abramov) 0.1867361E+00 Vb(Abramov) -0.2437272E+00 Hb(Abramov) -0.5699109E-01 Ex_ueg -0.5043837E-01 Ec_ueg -0.7401621E-02 Delta_ex -0.5420309E-01 Delta_ec 0.1358554E-01 Delta_et -0.1778375E+00 Pxc 0.6814503E+01 Qxc -0.3989764E+01 3,-1 173 3 -1 2.757211 0.574465 1.819623 Rho 0.1308898E+00 |GRAD(Rho)| 0.4836821E-15 GRAD(Rho)x -0.1458015E-15 GRAD(Rho)y -0.3968587E-15 GRAD(Rho)z 0.2349331E-15 Laplacian 0.5477540E+00 (-1/4)Del**2(Rho)) -0.1369385E+00 Diamond 0.9398706E+00 Metallicity 0.4244933E+01 Ellipticity 0.1056103E-01 Gb(Abramov) 0.1881748E+00 Vb(Abramov) -0.2394111E+00 Hb(Abramov) -0.5123630E-01 Ex_ueg -0.4908246E-01 Ec_ueg -0.7231657E-02 Delta_ex -0.5687291E-01 Delta_ec 0.1431328E-01 Delta_et -0.1865708E+00 Pxc 0.6787167E+01 Qxc -0.3973437E+01 3,-1 174 3 -1 3.038800 -0.808494 2.029478 Rho 0.1520186E+00 |GRAD(Rho)| 0.1883759E-12 GRAD(Rho)x -0.6957122E-13 GRAD(Rho)y 0.1359318E-12 GRAD(Rho)z 0.1103081E-12 Laplacian 0.5938041E+00 (-1/4)Del**2(Rho)) -0.1484510E+00 Diamond 0.1222539E+01 Metallicity 0.5024944E+01 Ellipticity 0.3647431E-01 Gb(Abramov) 0.2232937E+00 Vb(Abramov) -0.2981364E+00 Hb(Abramov) -0.7484267E-01 Ex_ueg -0.5992123E-01 Ec_ueg -0.8572859E-02 Delta_ex -0.6397628E-01 Delta_ec 0.1501122E-01 Delta_et -0.2001864E+00 Pxc 0.6989644E+01 Qxc -0.4261896E+01 3,-1 175 3 -1 3.217902 -0.080431 -3.207431 Rho 0.2411869E+00 |GRAD(Rho)| 0.1016716E-14 GRAD(Rho)x -0.6712296E-15 GRAD(Rho)y 0.1869978E-15 GRAD(Rho)z 0.7404017E-15 Laplacian 0.8833111E+00 (-1/4)Del**2(Rho)) -0.2208278E+00 Diamond 0.3135775E+01 Metallicity 0.7290473E+01 Ellipticity 0.1989970E-02 Gb(Abramov) 0.4155417E+00 Vb(Abramov) -0.6102556E+00 Hb(Abramov) -0.1947139E+00 Ex_ueg -0.1108809E+00 Ec_ueg -0.1452120E-01 Delta_ex -0.1068233E+00 Delta_ec 0.1941986E-01 Delta_et -0.2687559E+00 Pxc 0.7635794E+01 Qxc -0.5500726E+01 3,-1 176 3 -1 -3.741096 4.250103 -0.828764 Rho 0.3328686E+00 |GRAD(Rho)| 0.6643574E-13 GRAD(Rho)x -0.4262257E-13 GRAD(Rho)y -0.3222081E-13 GRAD(Rho)z 0.3948220E-13 Laplacian -0.1773633E+01 (-1/4)Del**2(Rho)) 0.4434083E+00 Diamond 0.6356109E+01 Metallicity -0.6211610E+01 Ellipticity 0.3379322E-03 Gb(Abramov) 0.1634410E+00 Vb(Abramov) -0.7702904E+00 Hb(Abramov) -0.6068493E+00 Ex_ueg -0.1703788E+00 Ec_ueg -0.2109599E-01 Delta_ex 0.1798667E+00 Delta_ec 0.6100684E-01 Delta_et -0.1475053E+01 Pxc 0.8076361E+01 Qxc 0.2948304E+01 3,-1 177 3 -1 -2.878545 -1.870295 0.620421 Rho 0.1316684E+00 |GRAD(Rho)| 0.2994499E-15 GRAD(Rho)x 0.3171969E-16 GRAD(Rho)y -0.2509928E-16 GRAD(Rho)z -0.2967055E-15 Laplacian 0.5565824E+00 (-1/4)Del**2(Rho)) -0.1391456E+00 Diamond 0.9881657E+00 Metallicity 0.4219100E+01 Ellipticity 0.2171141E-01 Gb(Abramov) 0.1906086E+00 Vb(Abramov) -0.2420716E+00 Hb(Abramov) -0.5146300E-01 Ex_ueg -0.4947213E-01 Ec_ueg -0.7280572E-02 Delta_ex -0.5818434E-01 Delta_ec 0.1508019E-01 Delta_et -0.1978162E+00 Pxc 0.6795089E+01 Qxc -0.3858330E+01 3,-1 178 3 -1 0.563854 -1.822322 -2.783178 Rho 0.1249289E+00 |GRAD(Rho)| 0.1906022E-12 GRAD(Rho)x -0.1199419E-12 GRAD(Rho)y -0.1426195E-12 GRAD(Rho)z 0.4003531E-13 Laplacian 0.5240300E+00 (-1/4)Del**2(Rho)) -0.1310075E+00 Diamond 0.8487509E+00 Metallicity 0.4105459E+01 Ellipticity 0.6804870E-02 Gb(Abramov) 0.1769793E+00 Vb(Abramov) -0.2229511E+00 Hb(Abramov) -0.4597183E-01 Ex_ueg -0.4612491E-01 Ec_ueg -0.6858494E-02 Delta_ex -0.5378433E-01 Delta_ec 0.1381373E-01 Delta_et -0.1786307E+00 Pxc 0.6725224E+01 Qxc -0.3893542E+01 3,-1 179 3 -1 -3.266062 -3.297653 0.062260 Rho 0.2170855E+00 |GRAD(Rho)| 0.2563842E-14 GRAD(Rho)x 0.2187920E-14 GRAD(Rho)y 0.4481008E-15 GRAD(Rho)z -0.1259165E-14 Laplacian 0.8041362E+00 (-1/4)Del**2(Rho)) -0.2010340E+00 Diamond 0.2519638E+01 Metallicity 0.6719467E+01 Ellipticity 0.1735411E-02 Gb(Abramov) 0.3591630E+00 Vb(Abramov) -0.5172919E+00 Hb(Abramov) -0.1581289E+00 Ex_ueg -0.9635910E-01 Ec_ueg -0.1286950E-01 Delta_ex -0.9465145E-01 Delta_ec 0.1827820E-01 Delta_et -0.2519518E+00 Pxc 0.7487401E+01 Qxc -0.5178380E+01 3,-1 180 3 -1 -3.003431 1.980688 0.834674 Rho 0.1739490E+00 |GRAD(Rho)| 0.2705764E-14 GRAD(Rho)x -0.2841152E-15 GRAD(Rho)y 0.7584536E-15 GRAD(Rho)z -0.2581702E-14 Laplacian 0.7003355E+00 (-1/4)Del**2(Rho)) -0.1750839E+00 Diamond 0.1665275E+01 Metallicity 0.5333475E+01 Ellipticity 0.1950696E-01 Gb(Abramov) 0.2723568E+00 Vb(Abramov) -0.3696298E+00 Hb(Abramov) -0.9727296E-01 Ex_ueg -0.7171572E-01 Ec_ueg -0.9993837E-02 Delta_ex -0.7777853E-01 Delta_ec 0.1667060E-01 Delta_et -0.2248346E+00 Pxc 0.7175994E+01 Qxc -0.4665610E+01 3,-1 181 3 -1 -2.777018 1.750641 -0.563764 Rho 0.1590436E+00 |GRAD(Rho)| 0.2553260E-11 GRAD(Rho)x 0.5924425E-12 GRAD(Rho)y 0.1830003E-11 GRAD(Rho)z 0.1679059E-11 Laplacian 0.6632232E+00 (-1/4)Del**2(Rho)) -0.1658058E+00 Diamond 0.1421703E+01 Metallicity 0.4850805E+01 Ellipticity 0.1974966E-01 Gb(Abramov) 0.2445858E+00 Vb(Abramov) -0.3233658E+00 Hb(Abramov) -0.7877999E-01 Ex_ueg -0.6364144E-01 Ec_ueg -0.9024926E-02 Delta_ex -0.7207403E-01 Delta_ec 0.1624982E-01 Delta_et -0.2171859E+00 Pxc 0.7051741E+01 Qxc -0.4435375E+01 3,-1 182 3 -1 -0.466948 -0.494085 -0.493264 Rho 0.1869559E+00 |GRAD(Rho)| 0.5293153E-15 GRAD(Rho)x -0.4371503E-15 GRAD(Rho)y -0.1734723E-15 GRAD(Rho)z -0.2428613E-15 Laplacian 0.5105489E+00 (-1/4)Del**2(Rho)) -0.1276372E+00 Diamond 0.1373057E+01 Metallicity 0.8250390E+01 Ellipticity 0.2436825E-02 Gb(Abramov) 0.2606009E+00 Vb(Abramov) -0.3935647E+00 Hb(Abramov) -0.1329637E+00 Ex_ueg -0.7895336E-01 Ec_ueg -0.1084988E-01 Delta_ex -0.5811037E-01 Delta_ec 0.1257407E-01 Delta_et -0.1728756E+00 Pxc 0.7276889E+01 Qxc -0.4621445E+01 3,-1 183 3 -1 3.216895 0.123190 3.231758 Rho 0.2417608E+00 |GRAD(Rho)| 0.3763181E-15 GRAD(Rho)x 0.2655211E-15 GRAD(Rho)y 0.3361027E-16 GRAD(Rho)z 0.2645453E-15 Laplacian 0.8793339E+00 (-1/4)Del**2(Rho)) -0.2198335E+00 Diamond 0.3136479E+01 Metallicity 0.7352511E+01 Ellipticity 0.3991264E-02 Gb(Abramov) 0.4159437E+00 Vb(Abramov) -0.6120538E+00 Hb(Abramov) -0.1961102E+00 Ex_ueg -0.1112328E+00 Ec_ueg -0.1456091E-01 Delta_ex -0.1064395E+00 Delta_ec 0.1937409E-01 Delta_et -0.2683896E+00 Pxc 0.7639134E+01 Qxc -0.5493909E+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 79 80 129 168 120 139 119 118 116 178 126 167 110 125 134 108 121 169 144 124 113 128 166 122 123 133 141 157 149 160 150 163 127 156 152 154 153 162 75 181 98 180 100 165 93 177 92 72 90 179 58 78 86 65 84 71 88 69 83 79 64 77 171 173 146 174 170 183 145 158 143 172 148 175 135 182 136 112 159 131 164 176 1 1 1 1 1 1 2 2 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 13 14 15 16 18 21 45 47 13 24 26 33 39 41 14 21 28 36 37 42 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 52 53 53 53 53 20 23 55 54 2.495452 1.974043 1.961376 2.090378 2.050978 1.781835 2.390816 1.985841 1.912786 1.985229 1.877410 1.740674 2.423925 1.991630 2.045495 2.003906 2.020120 1.778916 2.433176 1.915397 1.967913 1.882033 1.970986 1.739987 2.329517 1.986883 1.985445 2.000628 1.905678 1.928105 2.385165 1.935109 1.931570 1.954826 1.918560 1.742261 2.308832 1.891125 1.880331 1.866418 1.941667 1.895910 2.471835 1.962345 1.963636 2.069060 2.091121 1.782739 2.405063 2.014702 1.918410 1.892015 1.926546 1.741394 2.509627 1.957279 1.940933 2.103978 2.076166 1.781697 2.434960 1.967561 1.972577 1.918658 1.878195 1.740815 2.393704 1.923081 1.922501 1.971448 1.927923 1.741576 1.704927 1.696203 1.698735 1.711379 3.230807 3.263134 0.976832 0.979787 2.497408 1.974213 1.961561 2.090725 2.051168 1.781843 2.392660 1.986256 1.913114 1.985854 1.877857 1.740683 2.425969 1.991904 2.045636 2.004272 2.020466 1.778924 2.434688 1.915837 1.968342 1.882494 1.971400 1.739995 2.331758 1.987207 1.985717 2.001053 1.906133 1.929811 2.386923 1.935544 1.931994 1.955447 1.919092 1.742273 2.310416 1.891726 1.880852 1.867090 1.942417 1.897044 2.473920 1.962529 1.963820 2.069392 2.091455 1.782745 2.406975 2.015116 1.918792 1.892546 1.927076 1.741402 2.511486 1.957466 1.941117 2.104209 2.076504 1.781707 2.436496 1.967983 1.972974 1.919039 1.878660 1.740826 2.395381 1.923396 1.922930 1.972054 1.928486 1.741581 1.704944 1.696214 1.698738 1.711409 3.235864 3.268721 0.976996 0.980028 30 25 25 28 25 24 28 25 27 27 27 22 31 26 26 24 27 24 28 27 29 25 26 25 30 26 26 28 26 26 31 29 27 27 28 27 27 24 24 23 27 26 29 26 26 25 25 24 28 25 25 27 25 23 29 25 26 26 28 24 27 24 27 24 24 23 30 27 27 26 26 21 24 22 22 23 35 35 21 21 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 Ta W Ta W Ta W W Ta W Ta 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 O As H H 2.2441 2.4718 2.2766 2.4744 2.4264 2.4765 2.6001 2.2445 2.4701 2.2414 2.4665 2.4749 -1.1154 -1.1191 -1.1288 -1.1171 -1.0177 -0.9722 -0.9445 -0.9660 -0.9661 -0.9664 -0.9831 -1.0176 -0.9524 -1.0197 -0.9645 -0.9711 -0.9835 -0.9828 -0.9753 -0.9565 -0.9764 -0.9943 -0.9794 -0.9730 -0.9743 -0.9649 -1.0092 -0.9899 -0.9191 -0.8016 -0.9031 -0.7992 -0.7900 -0.8062 -0.7440 -0.9197 -0.8033 -0.9161 -0.8041 -0.8067 2.5470 0.2929 0.2871 2.1075 2.0954 2.0909 2.0894 2.0876 2.0921 2.0830 2.1066 2.0945 2.1042 2.0954 2.0943 1.9367 1.9388 1.9366 1.9368 1.9246 1.9315 1.9347 1.9305 1.9308 1.9307 1.9288 1.9249 1.9370 1.9242 1.9306 1.9300 1.9392 1.9403 1.9408 1.9460 1.9410 1.9394 1.9406 1.9414 1.9418 1.9418 1.9366 1.9392 1.9463 1.9648 1.9476 1.9653 1.8714 1.9634 1.8808 1.9458 1.9643 1.9468 1.9645 1.9639 0.8231 0.6028 0.6078 6.0758 6.0902 6.0611 6.0895 6.0646 6.0882 6.0828 6.0749 6.0922 6.0744 6.0912 6.0913 5.1410 5.1415 5.1530 5.1419 5.0681 5.0135 4.9800 5.0069 5.0068 5.0062 5.0274 5.0675 4.9870 5.0708 5.0049 5.0133 5.0141 5.0138 5.0039 4.9809 5.0063 5.0257 5.0094 4.9999 5.0030 4.9917 5.0454 5.0216 4.9447 4.8017 4.9270 4.7987 4.8902 4.8080 4.8301 4.9459 4.8040 4.9411 4.8046 4.8079 1.0881 0.1044 0.1051 2.5389 3.3134 2.5375 3.3174 2.3847 3.3138 3.2030 2.5404 3.3139 2.5464 3.3176 3.3102 0.0377 0.0389 0.0391 0.0384 0.0250 0.0271 0.0298 0.0287 0.0286 0.0295 0.0269 0.0252 0.0284 0.0246 0.0290 0.0278 0.0302 0.0288 0.0306 0.0296 0.0291 0.0292 0.0294 0.0316 0.0294 0.0314 0.0272 0.0291 0.0280 0.0351 0.0286 0.0352 0.0283 0.0348 0.0331 0.0279 0.0350 0.0281 0.0350 0.0349 10.5418 0.0000 0.0000 14.0336 14.0291 14.0338 14.0293 14.0367 14.0294 14.0310 14.0336 14.0292 14.0336 14.0293 14.0293 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 Ta W Ta W Ta W W Ta W Ta 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 O As H H 2.360885 2.507157 2.369965 2.506740 2.437654 2.508742 2.546245 2.361340 2.506217 2.357044 2.505353 2.506875 -1.092126 -1.094870 -1.096126 -1.087188 -1.037033 -0.983914 -0.955903 -0.976582 -0.977890 -0.970985 -0.996594 -1.036430 -0.957889 -1.041635 -0.974840 -0.983570 -0.973528 -0.975181 -0.960929 -0.942332 -0.972698 -0.980936 -0.971562 -0.955307 -0.966883 -0.950125 -0.998574 -0.979752 -0.993859 -0.837297 -0.972617 -0.835065 -0.603457 -0.844822 -0.550202 -0.994788 -0.839806 -0.989089 -0.841136 -0.843459 2.322222 0.127964 0.112578 1.842114 1.939788 1.849140 1.934567 1.763910 1.931164 1.827189 1.845039 1.938601 1.843778 1.936066 1.933340 -0.731386 -0.742059 -0.743419 -0.722941 -0.799483 -0.717619 -0.698559 -0.727649 -0.735160 -0.728950 -0.755538 -0.800224 -0.704724 -0.804574 -0.731206 -0.724935 -0.789960 -0.820074 -0.795736 -0.761269 -0.820205 -0.824607 -0.816595 -0.790889 -0.816292 -0.756869 -0.811843 -0.825067 -0.923807 -0.739227 -0.893115 -0.737844 -0.794964 -0.751093 -0.719700 -0.925052 -0.741709 -0.915692 -0.744413 -0.747500 1.722276 0.415644 0.409331 1.962002 2.043667 1.957427 2.039138 1.957593 2.038910 2.053230 1.960463 2.044717 1.952512 2.044882 2.038975 -0.798132 -0.808072 -0.803552 -0.796467 -0.889310 -0.802238 -0.804904 -0.809043 -0.819292 -0.810231 -0.840440 -0.885942 -0.810379 -0.895266 -0.811621 -0.813811 -0.847350 -0.847177 -0.832004 -0.796346 -0.843785 -0.856757 -0.846607 -0.819548 -0.840629 -0.807673 -0.878527 -0.857600 -0.899451 -0.705914 -0.871484 -0.704209 -0.798367 -0.717516 -0.716893 -0.899782 -0.709235 -0.891996 -0.711670 -0.713877 1.663293 0.426062 0.430223 6.67171484 6.83778593 -5.97166546 11.26622757 15.74125493 -81.19254345 29.37655276 27.54276192 20.14496154 -43.28401685 -398.8622 430.5647 -45.8049 -424.7937 -43.3828 -482.2789 Jun20-2024 07:43:39 Nodes: 1 Procs: 1 Jun20-2024 07:43:41 Nodes: 1 Procs: 1 0 Jun20-2024 07:43:44 Nodes: 1 Procs: 1 Jun20-2024 07:43:46 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun20-2024 07:43:50 Nodes: 1 Procs: 1 Jun20-2024 07:43:53 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun20-2024 07:43:57 Nodes: 1 Procs: 1 Jun20-2024 07:43:58 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun20-2024 07:44:01 Nodes: 1 Procs: 1 Jun20-2024 07:44:04 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun20-2024 07:44:10 Nodes: 1 Procs: 5 *** (NO TITLE) *** -6 -17.26204480 -17.59005007 -17.59822972 -17.70043575 -17.71082944 -17.71629311 -17.71900616 -17.72201076 -17.72245751 -17.72298515 -17.72316642 -17.72337882 -17.72340320 -17.72342519 GEOMETRY CONVERGED