ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:06:22 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.55 0.03 1.44 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 Jun19-2024 22:06:22 Nodes: 1 Procs: 1 Jun19-2024 22:06:24 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:06:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.01 0.05 2.10 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 Jun19-2024 22:06:22 Nodes: 1 Procs: 1 Jun19-2024 22:06:24 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:27 Nodes: 1 Procs: 1 Jun19-2024 22:06:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:06:32 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.81 0.06 3.47 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 Jun19-2024 22:06:22 Nodes: 1 Procs: 1 Jun19-2024 22:06:24 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:27 Nodes: 1 Procs: 1 Jun19-2024 22:06:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:06:32 Nodes: 1 Procs: 1 Jun19-2024 22:06:34 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:06:40 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.69 0.03 1.17 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 Jun19-2024 22:06:22 Nodes: 1 Procs: 1 Jun19-2024 22:06:24 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:27 Nodes: 1 Procs: 1 Jun19-2024 22:06:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:06:32 Nodes: 1 Procs: 1 Jun19-2024 22:06:34 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:06:40 Nodes: 1 Procs: 1 Jun19-2024 22:06:41 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:06:44 Hydrogen (TZP) c10-54 c10-54 c10-54 c10-54 c10-54 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.80 0.05 2.95 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 Jun19-2024 22:06:22 Nodes: 1 Procs: 1 Jun19-2024 22:06:24 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:27 Nodes: 1 Procs: 1 Jun19-2024 22:06:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:06:32 Nodes: 1 Procs: 1 Jun19-2024 22:06:34 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:06:40 Nodes: 1 Procs: 1 Jun19-2024 22:06:41 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:06:44 Nodes: 1 Procs: 1 Jun19-2024 22:06:47 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun19-2024 22:06:57 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2709.5698000000057 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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 2019.304 Jun19-2024 22:06:47 1 1 Tungsten TZP 4d t21.As ADF 2019.304 Jun19-2024 22:06:29 1 1 Arsenic TZP 3p t21.Ta ADF 2019.304 Jun19-2024 22:06:34 1 1 Tantalum TZP 4d t21.O ADF 2019.304 Jun19-2024 22:06:41 1 1 Oxygen TZP 1s t21.H ADF 2019.304 Jun19-2024 22:06:24 1 1 Hydrogen TZP 1 1 -16.79263656 0.26842272 0.00100000 F 0.09334908 0.00066667 F 0.26842272 0.09334908 0.29998995 0.01000000 F 0.06454196 0.00666667 F Cartesian 2709.5698000000057 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0.3190783E+03 3,-3 15 3 -3 0.958918 0.896965 -1.032223 Rho 0.3190223E+03 3,-3 16 3 -3 -0.992640 0.961972 0.967103 Rho 0.3189981E+03 3,-3 17 3 -3 -3.041623 -1.188763 1.217913 Rho 0.3188185E+03 3,-3 18 3 -3 2.982763 -1.173357 -1.123942 Rho 0.3188148E+03 3,-3 19 3 -3 -3.023423 1.161984 -1.069057 Rho 0.3189718E+03 3,-3 20 3 -3 3.064819 1.161052 1.195685 Rho 0.3188464E+03 3,-3 21 3 -3 1.427208 -1.194352 -3.328499 Rho 0.3192650E+03 3,-3 22 3 -3 1.205968 1.129465 3.042300 Rho 0.3188556E+03 3,-3 23 3 -3 -1.211547 1.105028 -3.024583 Rho 0.3188071E+03 3,-3 24 3 -3 -1.130794 -1.204085 3.132570 Rho 0.3188616E+03 3,-3 25 3 -3 -1.186534 3.055669 -1.126133 Rho 0.3188344E+03 3,-3 26 3 -3 -1.156981 -3.077085 1.266333 Rho 0.3188875E+03 3,-3 27 3 -3 1.212506 2.999676 1.126394 Rho 0.3188537E+03 3,-3 28 3 -3 1.252378 -3.284399 -1.082494 Rho 0.3192016E+03 3,-3 29 3 -3 3.397440 -1.483505 1.544496 Rho 0.3189527E+03 3,-3 30 3 -3 -3.513639 -1.541520 -1.605882 Rho 0.3188487E+03 3,-3 31 3 -3 3.451647 1.515374 -1.429856 Rho 0.3189706E+03 3,-3 32 3 -3 -3.485492 1.588692 1.565487 Rho 0.3188695E+03 3,-3 33 3 -3 1.523203 -1.498442 3.442513 Rho 0.3189018E+03 3,-3 34 3 -3 1.618425 1.509864 -3.444707 Rho 0.3188713E+03 3,-3 35 3 -3 -1.512973 1.537348 3.531316 Rho 0.3188520E+03 3,-3 36 3 -3 -1.962482 -1.379831 -3.887463 Rho 0.3191869E+03 3,-3 37 3 -3 -1.548805 -3.753540 -1.339286 Rho 0.3186369E+03 3,-3 38 3 -3 -1.554828 3.461023 1.498846 Rho 0.3188782E+03 3,-3 39 3 -3 1.553592 -3.421646 1.600620 Rho 0.3188966E+03 3,-3 40 3 -3 1.576686 3.449575 -1.485141 Rho 0.3188854E+03 3,-3 41 3 -3 -0.160493 -3.781588 3.833014 Rho 0.3191932E+03 3,-3 42 3 -3 3.968438 -0.159179 -3.666338 Rho 0.3191537E+03 3,-3 43 3 -3 -0.206043 3.766739 -3.812013 Rho 0.3190819E+03 3,-3 44 3 -3 0.253807 3.861430 3.783359 Rho 0.3190628E+03 3,-3 45 3 -3 3.830836 -3.747931 -0.143527 Rho 0.3191648E+03 3,-3 46 3 -3 3.825045 3.773248 0.238734 Rho 0.3191826E+03 3,-3 47 3 -3 -3.825153 3.758541 -0.248185 Rho 0.3191633E+03 3,-3 48 3 -3 -3.955932 -3.754965 0.200400 Rho 0.3190723E+03 3,-3 49 3 -3 -3.969540 0.452582 -3.590867 Rho 0.3191483E+03 3,-3 50 3 -3 -3.853339 -0.204383 3.872104 Rho 0.3190664E+03 3,-3 51 3 -3 3.799951 0.195004 3.795054 Rho 0.3191898E+03 3,-3 52 3 -3 -0.600020 -3.460565 -1.329022 Rho 0.4487607E+00 3,-3 53 3 +1 -1.706790 0.501632 -0.554349 Rho 0.9669549E-02 |GRAD(Rho)| 0.2264760E-14 GRAD(Rho)x -0.5856690E-15 GRAD(Rho)y 0.2049985E-14 GRAD(Rho)z 0.7639969E-15 Laplacian 0.3683014E-01 (-1/4)Del**2(Rho)) -0.9207534E-02 Diamond 0.1207224E-02 Metallicity 0.8211456E+00 Ellipticity -0.1591483E+01 Gb(Abramov) 0.7398477E-02 Vb(Abramov) -0.5589420E-02 Hb(Abramov) 0.1809057E-02 Ex_ueg -0.1521458E-02 Ec_ueg -0.3530852E-03 Delta_ex -0.1753037E-02 Delta_ec 0.5531549E-03 Delta_et -0.3868767E-02 Pxc 0.4309040E+01 Qxc -0.3169161E+01 3,+1 54 3 +1 -0.596120 -0.555809 1.705906 Rho 0.7617612E-02 |GRAD(Rho)| 0.5374272E-14 GRAD(Rho)x -0.5182408E-14 GRAD(Rho)y -0.2284954E-15 GRAD(Rho)z 0.1404723E-14 Laplacian 0.2909146E-01 (-1/4)Del**2(Rho)) -0.7272866E-02 Diamond 0.6483214E-03 Metallicity 0.6985739E+00 Ellipticity -0.1399813E+01 Gb(Abramov) 0.5695350E-02 Vb(Abramov) -0.4117833E-02 Hb(Abramov) 0.1577516E-02 Ex_ueg -0.1106990E-02 Ec_ueg -0.2612421E-03 Delta_ex -0.1282861E-02 Delta_ec 0.3983276E-03 Delta_et -0.2647897E-02 Pxc 0.4237409E+01 Qxc -0.3220618E+01 3,+1 55 3 +1 -1.708690 -0.571182 0.557007 Rho 0.8899804E-02 |GRAD(Rho)| 0.1146218E-10 GRAD(Rho)x -0.4298739E-11 GRAD(Rho)y -0.1013002E-10 GRAD(Rho)z -0.3207043E-11 Laplacian 0.3234743E-01 (-1/4)Del**2(Rho)) -0.8086859E-02 Diamond 0.9187372E-03 Metallicity 0.8142180E+00 Ellipticity -0.1570713E+01 Gb(Abramov) 0.6488650E-02 Vb(Abramov) -0.4890442E-02 Hb(Abramov) 0.1598209E-02 Ex_ueg -0.1362152E-02 Ec_ueg -0.3184140E-03 Delta_ex -0.1495680E-02 Delta_ec 0.4641587E-03 Delta_et -0.3193333E-02 Pxc 0.4277928E+01 Qxc -0.3222347E+01 3,+1 56 3 +1 -0.559882 1.644826 -0.587377 Rho 0.8300190E-02 |GRAD(Rho)| 0.6964915E-17 GRAD(Rho)x -0.2172347E-17 GRAD(Rho)y 0.3235752E-17 GRAD(Rho)z 0.5772422E-17 Laplacian 0.3111859E-01 (-1/4)Del**2(Rho)) -0.7779648E-02 Diamond 0.7739446E-03 Metallicity 0.7534827E+00 Ellipticity -0.1446012E+01 Gb(Abramov) 0.6163404E-02 Vb(Abramov) -0.4547159E-02 Hb(Abramov) 0.1616244E-02 Ex_ueg -0.1241183E-02 Ec_ueg -0.2915858E-03 Delta_ex -0.1399703E-02 Delta_ec 0.4214217E-03 Delta_et -0.2867729E-02 Pxc 0.4256664E+01 Qxc -0.3321384E+01 3,+1 57 3 -1 -2.961004 0.065399 0.141047 Rho 0.5590637E-02 |GRAD(Rho)| 0.6640566E-15 GRAD(Rho)x 0.4806639E-16 GRAD(Rho)y 0.4164616E-15 GRAD(Rho)z 0.5149957E-15 Laplacian 0.2166983E-01 (-1/4)Del**2(Rho)) -0.5417457E-02 Diamond 0.6305910E-03 Metallicity 0.5600066E+00 Ellipticity 0.4488114E+01 Gb(Abramov) 0.4117273E-02 Vb(Abramov) -0.2817090E-02 Hb(Abramov) 0.1300184E-02 Ex_ueg -0.7328246E-03 Ec_ueg -0.1724182E-03 Delta_ex -0.1135771E-02 Delta_ec 0.7443350E-03 Delta_et -0.4155341E-02 Pxc 0.4250275E+01 Qxc -0.1525887E+01 3,-1 58 3 +1 -2.955107 0.133816 0.213105 Rho 0.5587355E-02 |GRAD(Rho)| 0.1096939E-16 GRAD(Rho)x 0.1714192E-18 GRAD(Rho)y 0.8852422E-17 GRAD(Rho)z -0.6475545E-17 Laplacian 0.2201904E-01 (-1/4)Del**2(Rho)) -0.5504759E-02 Diamond 0.5826610E-03 Metallicity 0.5505862E+00 Ellipticity -0.5250405E+01 Gb(Abramov) 0.4174980E-02 Vb(Abramov) -0.2845201E-02 Hb(Abramov) 0.1329779E-02 Ex_ueg -0.7322512E-03 Ec_ueg -0.1722760E-03 Delta_ex -0.1107833E-02 Delta_ec 0.6740007E-03 Delta_et -0.3792116E-02 Pxc 0.4250454E+01 Qxc -0.1643668E+01 3,+1 59 3 +1 0.316335 -1.945936 -0.754740 Rho 0.5523178E-02 |GRAD(Rho)| 0.1454214E-12 GRAD(Rho)x 0.1188447E-12 GRAD(Rho)y -0.6836055E-14 GRAD(Rho)z 0.8352603E-13 Laplacian 0.2123944E-01 (-1/4)Del**2(Rho)) -0.5309859E-02 Diamond 0.4913268E-03 Metallicity 0.5599105E+00 Ellipticity -0.2212390E+01 Gb(Abramov) 0.4035413E-02 Vb(Abramov) -0.2760968E-02 Hb(Abramov) 0.1274445E-02 Ex_ueg -0.7210585E-03 Ec_ueg -0.1694963E-03 Delta_ex -0.1015723E-02 Delta_ec 0.5600696E-03 Delta_et -0.3177252E-02 Pxc 0.4254125E+01 Qxc -0.1813565E+01 3,+1 60 3 +1 -1.277195 1.193473 2.215240 Rho 0.2407991E-01 |GRAD(Rho)| 0.1497985E-16 GRAD(Rho)x 0.3871183E-17 GRAD(Rho)y 0.4136962E-17 GRAD(Rho)z -0.1386706E-16 Laplacian 0.8838562E-01 (-1/4)Del**2(Rho)) -0.2209641E-01 Diamond 0.1168165E-01 Metallicity 0.1565512E+01 Ellipticity -0.1151585E+02 Gb(Abramov) 0.2049630E-01 Vb(Abramov) -0.1889620E-01 Hb(Abramov) 0.1600104E-02 Ex_ueg -0.5135605E-02 Ec_ueg -0.1042502E-02 Delta_ex -0.5522689E-02 Delta_ec 0.1643199E-02 Delta_et -0.1433504E-01 Pxc 0.4926232E+01 Qxc -0.3360937E+01 3,+1 61 3 -1 -1.758085 0.531745 1.754800 Rho 0.4062858E-01 |GRAD(Rho)| 0.1633195E-15 GRAD(Rho)x -0.9496002E-16 GRAD(Rho)y -0.4622386E-16 GRAD(Rho)z 0.1245761E-15 Laplacian 0.1713881E+00 (-1/4)Del**2(Rho)) -0.4284701E-01 Diamond 0.7019640E-01 Metallicity 0.1930569E+01 Ellipticity 0.1974337E-01 Gb(Abramov) 0.4235120E-01 Vb(Abramov) -0.4185538E-01 Hb(Abramov) 0.4958168E-03 Ex_ueg -0.1031559E-01 Ec_ueg -0.1903813E-02 Delta_ex -0.1366013E-01 Delta_ec 0.5588693E-02 Delta_et -0.5583518E-01 Pxc 0.5418382E+01 Qxc -0.2444243E+01 3,-1 62 3 -1 -3.062439 -0.918717 -2.108330 Rho 0.1395305E+00 |GRAD(Rho)| 0.2555805E-12 GRAD(Rho)x 0.1183091E-12 GRAD(Rho)y 0.1727081E-12 GRAD(Rho)z -0.1466161E-12 Laplacian 0.5300979E+00 (-1/4)Del**2(Rho)) -0.1325245E+00 Diamond 0.9931838E+00 Metallicity 0.4879464E+01 Ellipticity 0.2557006E-01 Gb(Abramov) 0.1961244E+00 Vb(Abramov) -0.2597243E+00 Hb(Abramov) -0.6359991E-01 Ex_ueg -0.5344952E-01 Ec_ueg -0.7776719E-02 Delta_ex -0.5602050E-01 Delta_ec 0.1385492E-01 Delta_et -0.1828482E+00 Pxc 0.6873016E+01 Qxc -0.4043365E+01 3,-1 63 3 +1 -2.964932 -0.272378 -0.225835 Rho 0.5331994E-02 |GRAD(Rho)| 0.2561870E-16 GRAD(Rho)x 0.1517530E-17 GRAD(Rho)y -0.2496780E-16 GRAD(Rho)z 0.5533870E-17 Laplacian 0.2074820E-01 (-1/4)Del**2(Rho)) -0.5187049E-02 Diamond 0.3999964E-03 Metallicity 0.5404832E+00 Ellipticity -0.1640894E+01 Gb(Abramov) 0.3925285E-02 Vb(Abramov) -0.2663521E-02 Hb(Abramov) 0.1261764E-02 Ex_ueg -0.6879727E-03 Ec_ueg -0.1612277E-03 Delta_ex -0.9358188E-03 Delta_ec 0.4592745E-03 Delta_et -0.2620701E-02 Pxc 0.4267088E+01 Qxc -0.2037602E+01 3,+1 64 3 -1 -1.804736 -0.605252 -1.842028 Rho 0.5006976E-01 |GRAD(Rho)| 0.1418650E-15 GRAD(Rho)x 0.5788793E-16 GRAD(Rho)y 0.4203401E-18 GRAD(Rho)z 0.1295164E-15 Laplacian 0.1979965E+00 (-1/4)Del**2(Rho)) -0.4949911E-01 Diamond 0.1017785E+00 Metallicity 0.2367272E+01 Ellipticity 0.3417507E-01 Gb(Abramov) 0.5252906E-01 Vb(Abramov) -0.5555900E-01 Hb(Abramov) -0.3029942E-02 Ex_ueg -0.1362968E-01 Ec_ueg -0.2418730E-02 Delta_ex -0.1635571E-01 Delta_ec 0.5993021E-02 Delta_et -0.6324495E-01 Pxc 0.5635056E+01 Qxc -0.2729126E+01 3,-1 65 3 -1 -3.331523 0.143720 -3.181191 Rho 0.2205108E+00 |GRAD(Rho)| 0.6336063E-11 GRAD(Rho)x 0.4945552E-11 GRAD(Rho)y -0.2395103E-11 GRAD(Rho)z 0.3154471E-11 Laplacian 0.8144904E+00 (-1/4)Del**2(Rho)) -0.2036226E+00 Diamond 0.2610413E+01 Metallicity 0.6809424E+01 Ellipticity 0.1699603E-01 Gb(Abramov) 0.3668405E+00 Vb(Abramov) -0.5300584E+00 Hb(Abramov) -0.1632179E+00 Ex_ueg -0.9839165E-01 Ec_ueg -0.1310230E-01 Delta_ex -0.9631737E-01 Delta_ec 0.1853578E-01 Delta_et -0.2561472E+00 Pxc 0.7509497E+01 Qxc -0.5196294E+01 3,-1 66 3 -1 -1.763295 1.711323 0.521230 Rho 0.4564386E-01 |GRAD(Rho)| 0.3707527E-12 GRAD(Rho)x 0.2490236E-12 GRAD(Rho)y -0.2429168E-12 GRAD(Rho)z 0.1282039E-12 Laplacian 0.1812662E+00 (-1/4)Del**2(Rho)) -0.4531654E-01 Diamond 0.8018788E-01 Metallicity 0.2216156E+01 Ellipticity 0.2395560E-01 Gb(Abramov) 0.4694912E-01 Vb(Abramov) -0.4858169E-01 Hb(Abramov) -0.1632576E-02 Ex_ueg -0.1204744E-01 Ec_ueg -0.2175536E-02 Delta_ex -0.1453479E-01 Delta_ec 0.5318501E-02 Delta_et -0.5473617E-01 Pxc 0.5537689E+01 Qxc -0.2732873E+01 3,-1 67 3 +1 -0.681159 -1.721827 0.492777 Rho 0.8161948E-02 |GRAD(Rho)| 0.1145071E-13 GRAD(Rho)x 0.1107779E-13 GRAD(Rho)y 0.2812788E-14 GRAD(Rho)z -0.6997246E-15 Laplacian 0.3030648E-01 (-1/4)Del**2(Rho)) -0.7576621E-02 Diamond 0.7551769E-03 Metallicity 0.7523166E+00 Ellipticity -0.1480426E+01 Gb(Abramov) 0.6001084E-02 Vb(Abramov) -0.4425546E-02 Hb(Abramov) 0.1575537E-02 Ex_ueg -0.1213697E-02 Ec_ueg -0.2854233E-03 Delta_ex -0.1366307E-02 Delta_ec 0.4263688E-03 Delta_et -0.2875310E-02 Pxc 0.4252269E+01 Qxc -0.3204519E+01 3,+1 68 3 -1 -3.055471 0.902642 2.052592 Rho 0.1208559E+00 |GRAD(Rho)| 0.3957983E-14 GRAD(Rho)x 0.3701053E-14 GRAD(Rho)y -0.4531016E-15 GRAD(Rho)z -0.1327606E-14 Laplacian 0.4917460E+00 (-1/4)Del**2(Rho)) -0.1229365E+00 Diamond 0.7907791E+00 Metallicity 0.4139860E+01 Ellipticity 0.2434074E-01 Gb(Abramov) 0.1667810E+00 Vb(Abramov) -0.2106255E+00 Hb(Abramov) -0.4384448E-01 Ex_ueg -0.4413086E-01 Ec_ueg -0.6604907E-02 Delta_ex -0.5040952E-01 Delta_ec 0.1366762E-01 Delta_et -0.1767608E+00 Pxc 0.6681526E+01 Qxc -0.3688245E+01 3,-1 69 3 -1 -3.271041 -0.047625 3.290672 Rho 0.2028672E+00 |GRAD(Rho)| 0.6250096E-15 GRAD(Rho)x -0.1195875E-15 GRAD(Rho)y -0.1038666E-15 GRAD(Rho)z 0.6046053E-15 Laplacian 0.7669095E+00 (-1/4)Del**2(Rho)) -0.1917274E+00 Diamond 0.2220642E+01 Metallicity 0.6293450E+01 Ellipticity 0.4917985E-02 Gb(Abramov) 0.3289227E+00 Vb(Abramov) -0.4661180E+00 Hb(Abramov) -0.1371953E+00 Ex_ueg -0.8803746E-01 Ec_ueg -0.1191012E-01 Delta_ex -0.8874833E-01 Delta_ec 0.1783210E-01 Delta_et -0.2449157E+00 Pxc 0.7391820E+01 Qxc -0.4976886E+01 3,-1 70 3 -1 -2.801353 0.505303 -1.841737 Rho 0.7671689E-01 |GRAD(Rho)| 0.1092046E-15 GRAD(Rho)x -0.5835633E-17 GRAD(Rho)y -0.5377473E-16 GRAD(Rho)z -0.9486769E-16 Laplacian 0.3182090E+00 (-1/4)Del**2(Rho)) -0.7955226E-01 Diamond 0.2861183E+00 Metallicity 0.2999524E+01 Ellipticity 0.4010759E-02 Gb(Abramov) 0.9280465E-01 Vb(Abramov) -0.1060570E+00 Hb(Abramov) -0.1325239E-01 Ex_ueg -0.2407537E-01 Ec_ueg -0.3937777E-02 Delta_ex -0.2915960E-01 Delta_ec 0.9338222E-02 Delta_et -0.1095754E+00 Pxc 0.6113951E+01 Qxc -0.3122607E+01 3,-1 71 3 +1 2.060764 2.010869 -2.021920 Rho 0.1163755E-01 |GRAD(Rho)| 0.3287974E-15 GRAD(Rho)x -0.2062572E-15 GRAD(Rho)y -0.9070484E-16 GRAD(Rho)z 0.2394543E-15 Laplacian 0.5227919E-01 (-1/4)Del**2(Rho)) -0.1306980E-01 Diamond 0.1557659E-02 Metallicity 0.7877473E+00 Ellipticity -0.1121398E+01 Gb(Abramov) 0.1042915E-01 Vb(Abramov) -0.7788498E-02 Hb(Abramov) 0.2640649E-02 Ex_ueg -0.1947753E-02 Ec_ueg -0.4428630E-03 Delta_ex -0.2413329E-02 Delta_ec 0.4362269E-03 Delta_et -0.3435727E-02 Pxc 0.4398093E+01 Qxc -0.5532280E+01 3,+1 72 3 -1 -3.345473 -3.203815 0.045712 Rho 0.2034534E+00 |GRAD(Rho)| 0.1172317E-14 GRAD(Rho)x -0.7798666E-15 GRAD(Rho)y -0.8475750E-15 GRAD(Rho)z 0.2185209E-15 Laplacian 0.7778301E+00 (-1/4)Del**2(Rho)) -0.1944575E+00 Diamond 0.2258894E+01 Metallicity 0.6235005E+01 Ellipticity 0.4475410E-02 Gb(Abramov) 0.3317123E+00 Vb(Abramov) -0.4689671E+00 Hb(Abramov) -0.1372548E+00 Ex_ueg -0.8837684E-01 Ec_ueg -0.1194945E-01 Delta_ex -0.9007068E-01 Delta_ec 0.1805750E-01 Delta_et -0.2480160E+00 Pxc 0.7395889E+01 Qxc -0.4987993E+01 3,-1 73 3 -1 -3.087617 -2.016812 -0.913278 Rho 0.1227501E+00 |GRAD(Rho)| 0.3893940E-14 GRAD(Rho)x 0.1251183E-14 GRAD(Rho)y -0.1827870E-14 GRAD(Rho)z 0.3202530E-14 Laplacian 0.4953993E+00 (-1/4)Del**2(Rho)) -0.1238498E+00 Diamond 0.8148127E+00 Metallicity 0.4217230E+01 Ellipticity 0.4221247E-01 Gb(Abramov) 0.1696171E+00 Vb(Abramov) -0.2153843E+00 Hb(Abramov) -0.4576725E-01 Ex_ueg -0.4505545E-01 Ec_ueg -0.6722696E-02 Delta_ex -0.5101204E-01 Delta_ec 0.1379247E-01 Delta_et -0.1789932E+00 Pxc 0.6701991E+01 Qxc -0.3698544E+01 3,-1 74 3 -1 -2.842684 -1.831773 0.586354 Rho 0.1303223E+00 |GRAD(Rho)| 0.4238751E-15 GRAD(Rho)x -0.7991248E-16 GRAD(Rho)y 0.2888586E-15 GRAD(Rho)z 0.2997412E-15 Laplacian 0.5535541E+00 (-1/4)Del**2(Rho)) -0.1383885E+00 Diamond 0.9695967E+00 Metallicity 0.4170143E+01 Ellipticity 0.1114205E-01 Gb(Abramov) 0.1884423E+00 Vb(Abramov) -0.2384961E+00 Hb(Abramov) -0.5005381E-01 Ex_ueg -0.4879889E-01 Ec_ueg -0.7196025E-02 Delta_ex -0.5771190E-01 Delta_ec 0.1501023E-01 Delta_et -0.1965146E+00 Pxc 0.6781368E+01 Qxc -0.3844838E+01 3,-1 75 3 -1 -2.812188 1.791267 -0.530420 Rho 0.1817332E+00 |GRAD(Rho)| 0.6636365E-15 GRAD(Rho)x 0.1416104E-15 GRAD(Rho)y 0.4968356E-15 GRAD(Rho)z 0.4165505E-15 Laplacian 0.7447035E+00 (-1/4)Del**2(Rho)) -0.1861759E+00 Diamond 0.1868420E+01 Metallicity 0.5395357E+01 Ellipticity 0.1738887E-01 Gb(Abramov) 0.2915315E+00 Vb(Abramov) -0.3968871E+00 Hb(Abramov) -0.1053556E+00 Ex_ueg -0.7602634E-01 Ec_ueg -0.1050498E-01 Delta_ex -0.8364111E-01 Delta_ec 0.1755006E-01 Delta_et -0.2378166E+00 Pxc 0.7237168E+01 Qxc -0.4765858E+01 3,-1 76 3 -1 -3.054340 2.020177 0.877385 Rho 0.1387121E+00 |GRAD(Rho)| 0.1986063E-14 GRAD(Rho)x 0.6456153E-15 GRAD(Rho)y 0.1053912E-14 GRAD(Rho)z -0.1554637E-14 Laplacian 0.5382598E+00 (-1/4)Del**2(Rho)) -0.1345650E+00 Diamond 0.9917647E+00 Metallicity 0.4758589E+01 Ellipticity 0.2376320E-01 Gb(Abramov) 0.1964332E+00 Vb(Abramov) -0.2583014E+00 Hb(Abramov) -0.6186823E-01 Ex_ueg -0.5303192E-01 Ec_ueg -0.7724886E-02 Delta_ex -0.5669563E-01 Delta_ec 0.1389858E-01 Delta_et -0.1828726E+00 Pxc 0.6865074E+01 Qxc -0.4079239E+01 3,-1 77 3 +1 -2.027177 2.027826 2.064459 Rho 0.1172716E-01 |GRAD(Rho)| 0.8697002E-17 GRAD(Rho)x 0.4024455E-17 GRAD(Rho)y 0.2789207E-17 GRAD(Rho)z -0.7187624E-17 Laplacian 0.4909107E-01 (-1/4)Del**2(Rho)) -0.1227277E-01 Diamond 0.1333594E-02 Metallicity 0.8497001E+00 Ellipticity -0.1095765E+01 Gb(Abramov) 0.9919873E-02 Vb(Abramov) -0.7566979E-02 Hb(Abramov) 0.2352894E-02 Ex_ueg -0.1967776E-02 Ec_ueg -0.4469886E-03 Delta_ex -0.2227891E-02 Delta_ec 0.3326640E-03 Delta_et -0.2717275E-02 Pxc 0.4402296E+01 Qxc -0.6697121E+01 3,+1 78 3 +1 -1.102088 2.179292 1.370051 Rho 0.2570807E-01 |GRAD(Rho)| 0.5086465E-16 GRAD(Rho)x -0.3065477E-16 GRAD(Rho)y -0.2251388E-16 GRAD(Rho)z 0.3377310E-16 Laplacian 0.9818501E-01 (-1/4)Del**2(Rho)) -0.2454625E-01 Diamond 0.1294081E-01 Metallicity 0.1571630E+01 Ellipticity -0.3599624E+01 Gb(Abramov) 0.2279377E-01 Vb(Abramov) -0.2104130E-01 Hb(Abramov) 0.1752478E-02 Ex_ueg -0.5603736E-02 Ec_ueg -0.1124430E-02 Delta_ex -0.6110057E-02 Delta_ec 0.1590632E-02 Delta_et -0.1415283E-01 Pxc 0.4983623E+01 Qxc -0.3841277E+01 3,+1 79 3 -1 -3.260459 3.190691 -0.089748 Rho 0.2234696E+00 |GRAD(Rho)| 0.1703063E-15 GRAD(Rho)x 0.1271227E-15 GRAD(Rho)y -0.9812030E-17 GRAD(Rho)z 0.1129061E-15 Laplacian 0.8246329E+00 (-1/4)Del**2(Rho)) -0.2061582E+00 Diamond 0.2677216E+01 Metallicity 0.6876750E+01 Ellipticity 0.5458827E-02 Gb(Abramov) 0.3737219E+00 Vb(Abramov) -0.5412856E+00 Hb(Abramov) -0.1675637E+00 Ex_ueg -0.1001559E+00 Ec_ueg -0.1330390E-01 Delta_ex -0.9780420E-01 Delta_ec 0.1860737E-01 Delta_et -0.2569770E+00 Pxc 0.7528305E+01 Qxc -0.5256207E+01 3,-1 80 3 +3 -2.374983 -0.047097 0.023825 Rho 0.4809166E-02 |GRAD(Rho)| 0.1958141E-16 GRAD(Rho)x 0.1536579E-16 GRAD(Rho)y 0.9095391E-17 GRAD(Rho)z 0.8037279E-17 Laplacian 0.1927331E-01 (-1/4)Del**2(Rho)) -0.4818329E-02 Diamond 0.1812668E-03 Metallicity 0.4898987E+00 Ellipticity -0.4195443E+00 Gb(Abramov) 0.3605635E-02 Vb(Abramov) -0.2392940E-02 Hb(Abramov) 0.1212694E-02 Ex_ueg -0.5995306E-03 Ec_ueg -0.1387097E-03 Delta_ex -0.7112130E-03 Delta_ec 0.1785978E-03 Delta_et -0.1132536E-02 Pxc 0.4322197E+01 Qxc -0.3982203E+01 3,+3 81 3 +1 -0.155481 0.152271 3.038403 Rho 0.5182851E-02 |GRAD(Rho)| 0.7142865E-13 GRAD(Rho)x -0.7049291E-13 GRAD(Rho)y -0.8229343E-15 GRAD(Rho)z 0.1149451E-13 Laplacian 0.2026970E-01 (-1/4)Del**2(Rho)) -0.5067426E-02 Diamond 0.4539004E-03 Metallicity 0.5276918E+00 Ellipticity -0.2467233E+01 Gb(Abramov) 0.3823957E-02 Vb(Abramov) -0.2580488E-02 Hb(Abramov) 0.1243469E-02 Ex_ueg -0.6624351E-03 Ec_ueg -0.1547901E-03 Delta_ex -0.9774841E-03 Delta_ec 0.5716246E-03 Delta_et -0.3164892E-02 Pxc 0.4279571E+01 Qxc -0.1710010E+01 3,+1 82 3 -1 -2.247415 -0.844426 -3.341271 Rho 0.2229897E+00 |GRAD(Rho)| 0.4297148E-15 GRAD(Rho)x -0.1113476E-15 GRAD(Rho)y -0.3091602E-15 GRAD(Rho)z -0.2769052E-15 Laplacian 0.8605011E+00 (-1/4)Del**2(Rho)) -0.2151253E+00 Diamond 0.2760148E+01 Metallicity 0.6566539E+01 Ellipticity 0.5504923E-02 Gb(Abramov) 0.3788549E+00 Vb(Abramov) -0.5425846E+00 Hb(Abramov) -0.1637297E+00 Ex_ueg -0.9986920E-01 Ec_ueg -0.1327117E-01 Delta_ex -0.1018471E+00 Delta_ec 0.1915299E-01 Delta_et -0.2633747E+00 Pxc 0.7525272E+01 Qxc -0.5317554E+01 3,-1 83 3 -1 -2.822893 -0.569604 1.872350 Rho 0.1280633E+00 |GRAD(Rho)| 0.1706234E-15 GRAD(Rho)x -0.2343232E-16 GRAD(Rho)y 0.1526828E-15 GRAD(Rho)z 0.7246536E-16 Laplacian 0.5444887E+00 (-1/4)Del**2(Rho)) -0.1361222E+00 Diamond 0.9353900E+00 Metallicity 0.4117799E+01 Ellipticity 0.1710704E-01 Gb(Abramov) 0.1841687E+00 Vb(Abramov) -0.2322153E+00 Hb(Abramov) -0.4804657E-01 Ex_ueg -0.4767431E-01 Ec_ueg -0.7054412E-02 Delta_ex -0.5654835E-01 Delta_ec 0.1485822E-01 Delta_et -0.1940058E+00 Pxc 0.6758084E+01 Qxc -0.3805863E+01 3,-1 84 3 +3 -1.946522 1.941618 1.981670 Rho 0.1169355E-01 |GRAD(Rho)| 0.1222390E-16 GRAD(Rho)x 0.1112832E-16 GRAD(Rho)y 0.2821333E-17 GRAD(Rho)z 0.4198111E-17 Laplacian 0.4845411E-01 (-1/4)Del**2(Rho)) -0.1211353E-01 Diamond 0.1041415E-02 Metallicity 0.8567607E+00 Ellipticity -0.8648915E+00 Gb(Abramov) 0.9805417E-02 Vb(Abramov) -0.7497307E-02 Hb(Abramov) 0.2308110E-02 Ex_ueg -0.1960258E-02 Ec_ueg -0.4454405E-03 Delta_ex -0.2116540E-02 Delta_ec 0.1843443E-03 Delta_et -0.1719838E-02 Pxc 0.4400719E+01 Qxc -0.1148145E+02 3,+3 85 3 -1 -2.044655 -3.180196 -0.762363 Rho 0.1208024E+00 |GRAD(Rho)| 0.2710147E-13 GRAD(Rho)x -0.9215000E-14 GRAD(Rho)y -0.1561224E-14 GRAD(Rho)z -0.2543887E-13 Laplacian 0.4722231E+00 (-1/4)Del**2(Rho)) -0.1180558E+00 Diamond 0.7680410E+00 Metallicity 0.4307829E+01 Ellipticity 0.9466576E-01 Gb(Abramov) 0.1634645E+00 Vb(Abramov) -0.2088733E+00 Hb(Abramov) -0.4540877E-01 Ex_ueg -0.4410479E-01 Ec_ueg -0.6601581E-02 Delta_ex -0.4852359E-01 Delta_ec 0.1334141E-01 Delta_et -0.1728723E+00 Pxc 0.6680944E+01 Qxc -0.3637065E+01 3,-1 86 3 +1 -2.211155 1.089279 1.409945 Rho 0.2500817E-01 |GRAD(Rho)| 0.8178574E-15 GRAD(Rho)x -0.2908441E-15 GRAD(Rho)y -0.4366320E-15 GRAD(Rho)z 0.6274177E-15 Laplacian 0.9411616E-01 (-1/4)Del**2(Rho)) -0.2352904E-01 Diamond 0.1155114E-01 Metallicity 0.1565858E+01 Ellipticity -0.3124827E+01 Gb(Abramov) 0.2182655E-01 Vb(Abramov) -0.2012406E-01 Hb(Abramov) 0.1702492E-02 Ex_ueg -0.5401251E-02 Ec_ueg -0.1089126E-02 Delta_ex -0.5771115E-02 Delta_ec 0.1449048E-02 Delta_et -0.1282634E-01 Pxc 0.4959254E+01 Qxc -0.3982693E+01 3,+1 87 3 -1 -2.014102 0.876186 3.090908 Rho 0.1240937E+00 |GRAD(Rho)| 0.3607994E-15 GRAD(Rho)x -0.1973519E-15 GRAD(Rho)y 0.1225420E-15 GRAD(Rho)z -0.2760650E-15 Laplacian 0.5067143E+00 (-1/4)Del**2(Rho)) -0.1266786E+00 Diamond 0.8332967E+00 Metallicity 0.4198555E+01 Ellipticity 0.7062794E-02 Gb(Abramov) 0.1730969E+00 Vb(Abramov) -0.2195152E+00 Hb(Abramov) -0.4641829E-01 Ex_ueg -0.4571425E-01 Ec_ueg -0.6806404E-02 Delta_ex -0.5216950E-01 Delta_ec 0.1381776E-01 Delta_et -0.1792486E+00 Pxc 0.6716358E+01 Qxc -0.3775540E+01 3,-1 88 3 +3 0.026160 2.274237 -0.024920 Rho 0.4365868E-02 |GRAD(Rho)| 0.2396486E-15 GRAD(Rho)x 0.1505653E-15 GRAD(Rho)y -0.1312875E-15 GRAD(Rho)z 0.1323826E-15 Laplacian 0.1750136E-01 (-1/4)Del**2(Rho)) -0.4375339E-02 Diamond 0.1313460E-03 Metallicity 0.4591899E+00 Ellipticity -0.2714675E+00 Gb(Abramov) 0.3251745E-02 Vb(Abramov) -0.2128150E-02 Hb(Abramov) 0.1123594E-02 Ex_ueg -0.5270022E-03 Ec_ueg -0.1197264E-03 Delta_ex -0.6156000E-03 Delta_ec 0.1363400E-03 Delta_et -0.8806663E-03 Pxc 0.4401721E+01 Qxc -0.4515183E+01 3,+3 89 3 +1 -1.777194 1.743328 -1.746304 Rho 0.1135616E-01 |GRAD(Rho)| 0.1666156E-16 GRAD(Rho)x -0.1053323E-16 GRAD(Rho)y -0.7815253E-18 GRAD(Rho)z 0.1288596E-16 Laplacian 0.5382925E-01 (-1/4)Del**2(Rho)) -0.1345731E-01 Diamond 0.1953049E-02 Metallicity 0.7344812E+00 Ellipticity -0.1272759E+01 Gb(Abramov) 0.1061890E-01 Vb(Abramov) -0.7780485E-02 Hb(Abramov) 0.2838413E-02 Ex_ueg -0.1885213E-02 Ec_ueg -0.4299292E-03 Delta_ex -0.2593245E-02 Delta_ec 0.6726860E-03 Delta_et -0.4996834E-02 Pxc 0.4384937E+01 Qxc -0.3855059E+01 3,+1 90 3 -1 -1.856972 -2.823324 0.606039 Rho 0.9253290E-01 |GRAD(Rho)| 0.3520376E-12 GRAD(Rho)x -0.2571941E-12 GRAD(Rho)y 0.6166610E-13 GRAD(Rho)z -0.2323337E-12 Laplacian 0.3970554E+00 (-1/4)Del**2(Rho)) -0.9926384E-01 Diamond 0.4674004E+00 Metallicity 0.3285406E+01 Ellipticity 0.2834435E-01 Gb(Abramov) 0.1205296E+00 Vb(Abramov) -0.1417953E+00 Hb(Abramov) -0.2126572E-01 Ex_ueg -0.3091102E-01 Ec_ueg -0.4874986E-02 Delta_ex -0.3834122E-01 Delta_ec 0.1186150E-01 Delta_et -0.1456799E+00 Pxc 0.6340739E+01 Qxc -0.3232408E+01 3,-1 91 3 -1 -1.822561 -1.755194 -0.575805 Rho 0.4868397E-01 |GRAD(Rho)| 0.3364762E-16 GRAD(Rho)x -0.2587516E-16 GRAD(Rho)y -0.1199822E-16 GRAD(Rho)z 0.1785164E-16 Laplacian 0.2050392E+00 (-1/4)Del**2(Rho)) -0.5125981E-01 Diamond 0.1078262E+00 Metallicity 0.2181488E+01 Ellipticity 0.1805193E-01 Gb(Abramov) 0.5281032E-01 Vb(Abramov) -0.5436083E-01 Hb(Abramov) -0.1550508E-02 Ex_ueg -0.1312904E-01 Ec_ueg -0.2342259E-02 Delta_ex -0.1710330E-01 Delta_ec 0.6715592E-02 Delta_et -0.7048061E-01 Pxc 0.5605291E+01 Qxc -0.2546804E+01 3,-1 92 3 +3 -1.150473 1.131216 -1.145240 Rho 0.5323312E-02 |GRAD(Rho)| 0.9910542E-16 GRAD(Rho)x 0.4161585E-16 GRAD(Rho)y 0.7201353E-16 GRAD(Rho)z 0.5388930E-16 Laplacian 0.2024628E-01 (-1/4)Del**2(Rho)) -0.5061571E-02 Diamond 0.1482329E-03 Metallicity 0.5523797E+00 Ellipticity -0.2623242E+00 Gb(Abramov) 0.3840366E-02 Vb(Abramov) -0.2619160E-02 Hb(Abramov) 0.1221205E-02 Ex_ueg -0.6864796E-03 Ec_ueg -0.1608527E-03 Delta_ex -0.7068126E-03 Delta_ec 0.8028991E-04 Delta_et -0.6679460E-03 Pxc 0.4267754E+01 Qxc -0.8803256E+01 3,+3 93 3 +1 -0.157711 2.973991 0.176824 Rho 0.5383855E-02 |GRAD(Rho)| 0.3273871E-17 GRAD(Rho)x 0.2209923E-18 GRAD(Rho)y -0.7246710E-18 GRAD(Rho)z -0.3185004E-17 Laplacian 0.2131188E-01 (-1/4)Del**2(Rho)) -0.5327970E-02 Diamond 0.5059381E-03 Metallicity 0.5347452E+00 Ellipticity -0.2609754E+01 Gb(Abramov) 0.4026831E-02 Vb(Abramov) -0.2725692E-02 Hb(Abramov) 0.1301139E-02 Ex_ueg -0.6969091E-03 Ec_ueg -0.1634688E-03 Delta_ex -0.1038719E-02 Delta_ec 0.6064610E-03 Delta_et -0.3393415E-02 Pxc 0.4263253E+01 Qxc -0.1712755E+01 3,+1 94 3 -1 0.512672 1.669810 -1.748468 Rho 0.4805521E-01 |GRAD(Rho)| 0.5470167E-15 GRAD(Rho)x 0.2384025E-15 GRAD(Rho)y 0.4641808E-15 GRAD(Rho)z -0.1640965E-15 Laplacian 0.2037156E+00 (-1/4)Del**2(Rho)) -0.5092890E-01 Diamond 0.1047972E+00 Metallicity 0.2148604E+01 Ellipticity 0.1373530E-01 Gb(Abramov) 0.5219027E-01 Vb(Abramov) -0.5345164E-01 Hb(Abramov) -0.1261371E-02 Ex_ueg -0.1290345E-01 Ec_ueg -0.2307658E-02 Delta_ex -0.1691774E-01 Delta_ec 0.6635590E-02 Delta_et -0.6938937E-01 Pxc 0.5591575E+01 Qxc -0.2549545E+01 3,-1 95 3 -1 -1.820761 -0.575337 2.878434 Rho 0.1048391E+00 |GRAD(Rho)| 0.1201916E-13 GRAD(Rho)x -0.2840474E-15 GRAD(Rho)y -0.1165029E-13 GRAD(Rho)z -0.2941125E-14 Laplacian 0.4512774E+00 (-1/4)Del**2(Rho)) -0.1128193E+00 Diamond 0.6176803E+00 Metallicity 0.3559386E+01 Ellipticity 0.1629322E-01 Gb(Abramov) 0.1421408E+00 Vb(Abramov) -0.1714623E+00 Hb(Abramov) -0.2932149E-01 Ex_ueg -0.3651036E-01 Ec_ueg -0.5619109E-02 Delta_ex -0.4484382E-01 Delta_ec 0.1312640E-01 Delta_et -0.1654625E+00 Pxc 0.6497536E+01 Qxc -0.3416308E+01 3,-1 96 3 -1 -1.851477 0.485680 -2.860734 Rho 0.1435266E+00 |GRAD(Rho)| 0.1771695E-15 GRAD(Rho)x -0.1684986E-15 GRAD(Rho)y 0.4198573E-16 GRAD(Rho)z -0.3513493E-16 Laplacian 0.5850146E+00 (-1/4)Del**2(Rho)) -0.1462536E+00 Diamond 0.1127804E+01 Metallicity 0.4634474E+01 Ellipticity 0.1684891E-01 Gb(Abramov) 0.2104706E+00 Vb(Abramov) -0.2746875E+00 Hb(Abramov) -0.6421691E-01 Ex_ueg -0.5550025E-01 Ec_ueg -0.8030419E-02 Delta_ex -0.6218594E-01 Delta_ec 0.1507087E-01 Delta_et -0.1995035E+00 Pxc 0.6911251E+01 Qxc -0.4126235E+01 3,-1 97 3 +1 -0.596895 0.503616 -1.693528 Rho 0.9246130E-02 |GRAD(Rho)| 0.1084786E-16 GRAD(Rho)x 0.6249409E-17 GRAD(Rho)y 0.1955276E-17 GRAD(Rho)z -0.8648577E-17 Laplacian 0.3535668E-01 (-1/4)Del**2(Rho)) -0.8839170E-02 Diamond 0.1063812E-02 Metallicity 0.7938560E+00 Ellipticity -0.1525430E+01 Gb(Abramov) 0.7062284E-02 Vb(Abramov) -0.5285399E-02 Hb(Abramov) 0.1776885E-02 Ex_ueg -0.1433282E-02 Ec_ueg -0.3339817E-03 Delta_ex -0.1653154E-02 Delta_ec 0.5116836E-03 Delta_et -0.3551696E-02 Pxc 0.4291500E+01 Qxc -0.3230813E+01 3,+1 98 3 +1 -0.005834 -3.150582 0.036840 Rho 0.4788748E-02 |GRAD(Rho)| 0.2181182E-16 GRAD(Rho)x -0.7889768E-17 GRAD(Rho)y -0.7149740E-17 GRAD(Rho)z -0.1903650E-16 Laplacian 0.1853741E-01 (-1/4)Del**2(Rho)) -0.4634354E-02 Diamond 0.4078595E-03 Metallicity 0.5057478E+00 Ellipticity -0.3249120E+01 Gb(Abramov) 0.3480205E-02 Vb(Abramov) -0.2326056E-02 Hb(Abramov) 0.1154149E-02 Ex_ueg -0.5961393E-03 Ec_ueg -0.1378331E-03 Delta_ex -0.9139786E-03 Delta_ec 0.5836144E-03 Delta_et -0.3128720E-02 Pxc 0.4325080E+01 Qxc -0.1566066E+01 3,+1 99 3 +3 -0.108337 -2.436286 -0.168779 Rho 0.3635189E-02 |GRAD(Rho)| 0.1372231E-16 GRAD(Rho)x 0.9132947E-18 GRAD(Rho)y 0.1234215E-16 GRAD(Rho)z -0.5927811E-17 Laplacian 0.1444319E-01 (-1/4)Del**2(Rho)) -0.3610798E-02 Diamond 0.8348182E-04 Metallicity 0.4100420E+00 Ellipticity -0.3080088E+00 Gb(Abramov) 0.2653962E-02 Vb(Abramov) -0.1697125E-02 Hb(Abramov) 0.9568361E-03 Ex_ueg -0.4128140E-03 Ec_ueg -0.8866067E-04 Delta_ex -0.4830589E-03 Delta_ec 0.1098269E-03 Delta_et -0.6845301E-03 Pxc 0.4656111E+01 Qxc -0.4398364E+01 3,+3 100 3 -1 0.045534 2.969212 -0.033381 Rho 0.5438090E-02 |GRAD(Rho)| 0.1244737E-16 GRAD(Rho)x 0.7911619E-17 GRAD(Rho)y -0.7727560E-18 GRAD(Rho)z 0.9578415E-17 Laplacian 0.2109062E-01 (-1/4)Del**2(Rho)) -0.5272655E-02 Diamond 0.6102931E-03 Metallicity 0.5494580E+00 Ellipticity 0.4417115E+01 Gb(Abramov) 0.3997953E-02 Vb(Abramov) -0.2723252E-02 Hb(Abramov) 0.1274701E-02 Ex_ueg -0.7062854E-03 Ec_ueg -0.1658140E-03 Delta_ex -0.1115368E-02 Delta_ec 0.7525482E-03 Delta_et -0.4155889E-02 Pxc 0.4259503E+01 Qxc -0.1482122E+01 3,-1 101 3 +1 -2.280131 -1.433048 -1.132033 Rho 0.2887601E-01 |GRAD(Rho)| 0.2019483E-15 GRAD(Rho)x -0.1174344E-15 GRAD(Rho)y 0.1640491E-15 GRAD(Rho)z 0.8953155E-17 Laplacian 0.1150773E+00 (-1/4)Del**2(Rho)) -0.2876932E-01 Diamond 0.1770206E-01 Metallicity 0.1627493E+01 Ellipticity -0.3446570E+01 Gb(Abramov) 0.2698318E-01 Vb(Abramov) -0.2519705E-01 Hb(Abramov) 0.1786131E-02 Ex_ueg -0.6542866E-02 Ec_ueg -0.1285778E-02 Delta_ex -0.7380789E-02 Delta_ec 0.1848114E-02 Delta_et -0.1690452E-01 Pxc 0.5088645E+01 Qxc -0.3993688E+01 3,+1 102 3 +3 -1.135735 -1.137724 1.186957 Rho 0.5010646E-02 |GRAD(Rho)| 0.3868826E-17 GRAD(Rho)x 0.2744550E-17 GRAD(Rho)y 0.1055929E-18 GRAD(Rho)z -0.2724723E-17 Laplacian 0.1862296E-01 (-1/4)Del**2(Rho)) -0.4655740E-02 Diamond 0.1286020E-03 Metallicity 0.5429010E+00 Ellipticity -0.3648968E+00 Gb(Abramov) 0.3525094E-02 Vb(Abramov) -0.2394448E-02 Hb(Abramov) 0.1130646E-02 Ex_ueg -0.6332521E-03 Ec_ueg -0.1473710E-03 Delta_ex -0.6420979E-03 Delta_ec 0.7901412E-04 Delta_et -0.6344849E-03 Pxc 0.4296994E+01 Qxc -0.8126369E+01 3,+3 103 3 +3 1.109729 1.043019 1.068500 Rho 0.4270013E-02 |GRAD(Rho)| 0.4186788E-17 GRAD(Rho)x -0.3189714E-17 GRAD(Rho)y 0.1695877E-17 GRAD(Rho)z 0.2116346E-17 Laplacian 0.1644753E-01 (-1/4)Del**2(Rho)) -0.4111883E-02 Diamond 0.9987371E-04 Metallicity 0.4708628E+00 Ellipticity -0.1373081E+00 Gb(Abramov) 0.3063944E-02 Vb(Abramov) -0.2016005E-02 Hb(Abramov) 0.1047939E-02 Ex_ueg -0.5116315E-03 Ec_ueg -0.1156350E-03 Delta_ex -0.5524008E-03 Delta_ec 0.8741958E-04 Delta_et -0.6292996E-03 Pxc 0.4424538E+01 Qxc -0.6318960E+01 3,+3 104 3 +1 -0.279796 -0.602824 -3.248902 Rho 0.2628648E-02 |GRAD(Rho)| 0.1423934E-17 GRAD(Rho)x 0.3735500E-18 GRAD(Rho)y 0.1314667E-17 GRAD(Rho)z 0.3996249E-18 Laplacian 0.1011909E-01 (-1/4)Del**2(Rho)) -0.2529772E-02 Diamond 0.8612318E-04 Metallicity 0.3409516E+00 Ellipticity -0.1450662E+01 Gb(Abramov) 0.1830269E-02 Vb(Abramov) -0.1130767E-02 Hb(Abramov) 0.6995023E-03 Ex_ueg -0.2679344E-03 Ec_ueg -0.4633624E-04 Delta_ex -0.4176779E-03 Delta_ec 0.2660510E-03 Delta_et -0.1211418E-02 Pxc 0.5782393E+01 Qxc -0.1569917E+01 3,+1 105 3 -1 -0.260239 -1.261781 -3.577626 Rho 0.3328401E-02 |GRAD(Rho)| 0.9691808E-17 GRAD(Rho)x 0.6624058E-17 GRAD(Rho)y 0.5087530E-17 GRAD(Rho)z 0.4916305E-17 Laplacian 0.1195919E-01 (-1/4)Del**2(Rho)) -0.2989797E-02 Diamond 0.2547655E-03 Metallicity 0.4275343E+00 Ellipticity 0.1894532E+00 Gb(Abramov) 0.2206238E-02 Vb(Abramov) -0.1422679E-02 Hb(Abramov) 0.7835589E-03 Ex_ueg -0.3670281E-03 Ec_ueg -0.7570195E-04 Delta_ex -0.7000607E-03 Delta_ec 0.6426405E-03 Delta_et -0.2976658E-02 Pxc 0.4848331E+01 Qxc -0.1089350E+01 3,-1 106 3 -1 0.044625 -3.414889 -1.233402 Rho 0.2860850E-01 |GRAD(Rho)| 0.1413745E-10 GRAD(Rho)x -0.1391902E-10 GRAD(Rho)y 0.1130961E-11 GRAD(Rho)z 0.2202078E-11 Laplacian 0.9367711E-01 (-1/4)Del**2(Rho)) -0.2341928E-01 Diamond 0.3398130E-01 Metallicity 0.1968513E+01 Ellipticity 0.5868239E-02 Gb(Abramov) 0.2329638E-01 Vb(Abramov) -0.2317348E-01 Hb(Abramov) 0.1229004E-03 Ex_ueg -0.6462173E-02 Ec_ueg -0.1272058E-02 Delta_ex -0.7785551E-02 Delta_ec 0.4704757E-02 Delta_et -0.4250314E-01 Pxc 0.5080093E+01 Qxc -0.1654825E+01 3,-1 107 3 +1 2.190013 1.030753 -1.388687 Rho 0.2495068E-01 |GRAD(Rho)| 0.2758293E-12 GRAD(Rho)x 0.8779995E-13 GRAD(Rho)y 0.2085195E-12 GRAD(Rho)z 0.1577738E-12 Laplacian 0.9707892E-01 (-1/4)Del**2(Rho)) -0.2426973E-01 Diamond 0.1255094E-01 Metallicity 0.1512256E+01 Ellipticity -0.3501496E+01 Gb(Abramov) 0.2229683E-01 Vb(Abramov) -0.2032393E-01 Hb(Abramov) 0.1972901E-02 Ex_ueg -0.5384700E-02 Ec_ueg -0.1086231E-02 Delta_ex -0.6022465E-02 Delta_ec 0.1625691E-02 Delta_et -0.1434840E-01 Pxc 0.4957232E+01 Qxc -0.3704558E+01 3,+1 108 3 -1 -0.530179 0.427478 0.423470 Rho 0.1772191E+00 |GRAD(Rho)| 0.7110095E-12 GRAD(Rho)x 0.3832455E-12 GRAD(Rho)y -0.4129093E-12 GRAD(Rho)z -0.4337780E-12 Laplacian 0.4571501E+00 (-1/4)Del**2(Rho)) -0.1142875E+00 Diamond 0.1151310E+01 Metallicity 0.8428276E+01 Ellipticity 0.5753182E-02 Gb(Abramov) 0.2367328E+00 Vb(Abramov) -0.3591781E+00 Hb(Abramov) -0.1224453E+00 Ex_ueg -0.7351894E-01 Ec_ueg -0.1020814E-01 Delta_ex -0.5132618E-01 Delta_ec 0.1139371E-01 Delta_et -0.1556534E+00 Pxc 0.7201988E+01 Qxc -0.4504782E+01 3,-1 109 3 -1 -0.546098 1.729086 1.730855 Rho 0.4140660E-01 |GRAD(Rho)| 0.5064530E-13 GRAD(Rho)x -0.5233351E-14 GRAD(Rho)y -0.2576102E-13 GRAD(Rho)z -0.4328890E-13 Laplacian 0.1767879E+00 (-1/4)Del**2(Rho)) -0.4419697E-01 Diamond 0.7472059E-01 Metallicity 0.1931716E+01 Ellipticity 0.1798859E-01 Gb(Abramov) 0.4369398E-01 Vb(Abramov) -0.4319098E-01 Hb(Abramov) 0.5029928E-03 Ex_ueg -0.1057981E-01 Ec_ueg -0.1945681E-02 Delta_ex -0.1417916E-01 Delta_ec 0.5805997E-02 Delta_et -0.5831408E-01 Pxc 0.5437586E+01 Qxc -0.2442157E+01 3,-1 110 3 -1 -0.589237 -2.820552 1.875333 Rho 0.1687995E+00 |GRAD(Rho)| 0.4946795E-14 GRAD(Rho)x 0.3010206E-14 GRAD(Rho)y 0.1513926E-14 GRAD(Rho)z 0.3621804E-14 Laplacian 0.6917276E+00 (-1/4)Del**2(Rho)) -0.1729319E+00 Diamond 0.1596424E+01 Metallicity 0.5136057E+01 Ellipticity 0.2232955E-01 Gb(Abramov) 0.2633193E+00 Vb(Abramov) -0.3537067E+00 Hb(Abramov) -0.9038739E-01 Ex_ueg -0.6889904E-01 Ec_ueg -0.9657620E-02 Delta_ex -0.7632892E-01 Delta_ec 0.1674670E-01 Delta_et -0.2255574E+00 Pxc 0.7134163E+01 Qxc -0.4557847E+01 3,-1 111 3 -1 -0.597463 1.767435 -2.786663 Rho 0.1220839E+00 |GRAD(Rho)| 0.6006429E-14 GRAD(Rho)x 0.4039670E-14 GRAD(Rho)y 0.4375027E-14 GRAD(Rho)z 0.7857484E-15 Laplacian 0.5302590E+00 (-1/4)Del**2(Rho)) -0.1325647E+00 Diamond 0.8618004E+00 Metallicity 0.3904414E+01 Ellipticity 0.5851426E-02 Gb(Abramov) 0.1746411E+00 Vb(Abramov) -0.2167175E+00 Hb(Abramov) -0.4207637E-01 Ex_ueg -0.4472974E-01 Ec_ueg -0.6681243E-02 Delta_ex -0.5447021E-01 Delta_ec 0.1467242E-01 Delta_et -0.1900502E+00 Pxc 0.6694823E+01 Qxc -0.3712421E+01 3,-1 112 3 +3 -0.011927 -0.015271 2.317985 Rho 0.4159607E-02 |GRAD(Rho)| 0.1865176E-15 GRAD(Rho)x 0.1113530E-15 GRAD(Rho)y -0.1175928E-15 GRAD(Rho)z 0.9252715E-16 Laplacian 0.1668953E-01 (-1/4)Del**2(Rho)) -0.4172383E-02 Diamond 0.1173956E-03 Metallicity 0.4442113E+00 Ellipticity -0.2832755E+00 Gb(Abramov) 0.3090492E-02 Vb(Abramov) -0.2008601E-02 Hb(Abramov) 0.1081891E-02 Ex_ueg -0.4940696E-03 Ec_ueg -0.1109285E-03 Delta_ex -0.5798441E-03 Delta_ec 0.1302506E-03 Delta_et -0.8316688E-03 Pxc 0.4453947E+01 Qxc -0.4451757E+01 3,+3 113 3 -1 -0.862517 2.016834 3.069786 Rho 0.1294864E+00 |GRAD(Rho)| 0.2398475E-15 GRAD(Rho)x 0.1155760E-15 GRAD(Rho)y 0.1281662E-15 GRAD(Rho)z -0.1665606E-15 Laplacian 0.5244425E+00 (-1/4)Del**2(Rho)) -0.1311106E+00 Diamond 0.9093392E+00 Metallicity 0.4354675E+01 Ellipticity 0.1034186E-01 Gb(Abramov) 0.1825644E+00 Vb(Abramov) -0.2340183E+00 Hb(Abramov) -0.5145382E-01 Ex_ueg -0.4838203E-01 Ec_ueg -0.7143588E-02 Delta_ex -0.5456611E-01 Delta_ec 0.1419498E-01 Delta_et -0.1855542E+00 Pxc 0.6772791E+01 Qxc -0.3844043E+01 3,-1 114 3 -1 -0.585275 2.790964 -1.789209 Rho 0.1233899E+00 |GRAD(Rho)| 0.1235341E-13 GRAD(Rho)x -0.1185362E-13 GRAD(Rho)y -0.3312258E-14 GRAD(Rho)z -0.1061732E-14 Laplacian 0.5278554E+00 (-1/4)Del**2(Rho)) -0.1319639E+00 Diamond 0.8673242E+00 Metallicity 0.3992369E+01 Ellipticity 0.1202585E-01 Gb(Abramov) 0.1757840E+00 Vb(Abramov) -0.2196041E+00 Hb(Abramov) -0.4382012E-01 Ex_ueg -0.4536885E-01 Ec_ueg -0.6762540E-02 Delta_ex -0.5433947E-01 Delta_ec 0.1453278E-01 Delta_et -0.1885367E+00 Pxc 0.6708848E+01 Qxc -0.3739097E+01 3,-1 115 3 -1 -0.572342 -1.830517 2.863256 Rho 0.1610662E+00 |GRAD(Rho)| 0.6276146E-13 GRAD(Rho)x -0.5984379E-13 GRAD(Rho)y -0.1672170E-13 GRAD(Rho)z -0.8837793E-14 Laplacian 0.6593836E+00 (-1/4)Del**2(Rho)) -0.1648459E+00 Diamond 0.1443703E+01 Metallicity 0.4982904E+01 Ellipticity 0.1186073E-01 Gb(Abramov) 0.2467991E+00 Vb(Abramov) -0.3287524E+00 Hb(Abramov) -0.8195324E-01 Ex_ueg -0.6472286E-01 Ec_ueg -0.9155634E-02 Delta_ex -0.7196056E-01 Delta_ec 0.1624294E-01 Delta_et -0.2177927E+00 Pxc 0.7069184E+01 Qxc -0.4430266E+01 3,-1 116 3 +3 0.744630 -1.486862 -1.569785 Rho 0.2807162E-02 |GRAD(Rho)| 0.2715047E-14 GRAD(Rho)x 0.1398258E-14 GRAD(Rho)y 0.1691128E-14 GRAD(Rho)z 0.1598887E-14 Laplacian 0.1088553E-01 (-1/4)Del**2(Rho)) -0.2721384E-02 Diamond 0.5510581E-04 Metallicity 0.3536247E+00 Ellipticity -0.8692465E+00 Gb(Abramov) 0.1974647E-02 Vb(Abramov) -0.1227911E-02 Hb(Abramov) 0.7467365E-03 Ex_ueg -0.2924658E-03 Ec_ueg -0.5380208E-04 Delta_ex -0.3625045E-03 Delta_ec 0.1212840E-03 Delta_et -0.6451678E-03 Pxc 0.5435956E+01 Qxc -0.2988890E+01 3,+3 117 3 -1 -0.883932 3.033064 1.994769 Rho 0.1253611E+00 |GRAD(Rho)| 0.2148540E-15 GRAD(Rho)x -0.1091114E-15 GRAD(Rho)y -0.1472618E-15 GRAD(Rho)z 0.1121201E-15 Laplacian 0.5081703E+00 (-1/4)Del**2(Rho)) -0.1270426E+00 Diamond 0.8509055E+00 Metallicity 0.4258026E+01 Ellipticity 0.2595052E-01 Gb(Abramov) 0.1748535E+00 Vb(Abramov) -0.2226644E+00 Hb(Abramov) -0.4781090E-01 Ex_ueg -0.4633778E-01 Ec_ueg -0.6885468E-02 Delta_ex -0.5250882E-01 Delta_ec 0.1393637E-01 Delta_et -0.1812985E+00 Pxc 0.6729794E+01 Qxc -0.3767755E+01 3,-1 118 3 -1 0.075745 3.265479 3.221195 Rho 0.2021749E+00 |GRAD(Rho)| 0.3421353E-15 GRAD(Rho)x -0.5041540E-17 GRAD(Rho)y -0.2772847E-15 GRAD(Rho)z 0.2003606E-15 Laplacian 0.7652041E+00 (-1/4)Del**2(Rho)) -0.1913010E+00 Diamond 0.2207066E+01 Metallicity 0.6271642E+01 Ellipticity 0.2386811E-02 Gb(Abramov) 0.3274960E+00 Vb(Abramov) -0.4636909E+00 Hb(Abramov) -0.1361949E+00 Ex_ueg -0.8763711E-01 Ec_ueg -0.1186369E-01 Delta_ex -0.8847657E-01 Delta_ec 0.1781455E-01 Delta_et -0.2446288E+00 Pxc 0.7387001E+01 Qxc -0.4966535E+01 3,-1 119 3 +1 1.681121 0.490553 0.522672 Rho 0.6747462E-02 |GRAD(Rho)| 0.1798001E-14 GRAD(Rho)x 0.4243119E-15 GRAD(Rho)y 0.1452949E-14 GRAD(Rho)z -0.9704154E-15 Laplacian 0.2601202E-01 (-1/4)Del**2(Rho)) -0.6503005E-02 Diamond 0.5158693E-03 Metallicity 0.6382730E+00 Ellipticity -0.1395971E+01 Gb(Abramov) 0.5027119E-02 Vb(Abramov) -0.3551233E-02 Hb(Abramov) 0.1475886E-02 Ex_ueg -0.9416850E-03 Ec_ueg -0.2228713E-03 Delta_ex -0.1127938E-02 Delta_ec 0.3832063E-03 Delta_et -0.2444777E-02 Pxc 0.4225241E+01 Qxc -0.2943423E+01 3,+1 120 3 +1 1.617327 -0.585054 -0.544794 Rho 0.8737036E-02 |GRAD(Rho)| 0.1180683E-16 GRAD(Rho)x -0.3663510E-17 GRAD(Rho)y -0.2742314E-17 GRAD(Rho)z 0.1088392E-16 Laplacian 0.3516086E-01 (-1/4)Del**2(Rho)) -0.8790216E-02 Diamond 0.9594434E-03 Metallicity 0.7263743E+00 Ellipticity -0.1415498E+01 Gb(Abramov) 0.6924308E-02 Vb(Abramov) -0.5058401E-02 Hb(Abramov) 0.1865907E-02 Ex_ueg -0.1329037E-02 Ec_ueg -0.3111156E-03 Delta_ex -0.1611848E-02 Delta_ec 0.4931937E-03 Delta_et -0.3385956E-02 Pxc 0.4271844E+01 Qxc -0.3268184E+01 3,+1 121 3 -1 -0.583620 -0.529794 -0.554120 Rho 0.1872323E+00 |GRAD(Rho)| 0.1356367E-11 GRAD(Rho)x 0.8260302E-12 GRAD(Rho)y 0.7493485E-12 GRAD(Rho)z 0.7719346E-12 Laplacian 0.4963966E+00 (-1/4)Del**2(Rho)) -0.1240991E+00 Diamond 0.1318995E+01 Metallicity 0.8506527E+01 Ellipticity 0.2415280E-01 Gb(Abramov) 0.2586749E+00 Vb(Abramov) -0.3932506E+00 Hb(Abramov) -0.1345757E+00 Ex_ueg -0.7910903E-01 Ec_ueg -0.1086817E-01 Delta_ex -0.5638440E-01 Delta_ec 0.1197765E-01 Delta_et -0.1639559E+00 Pxc 0.7278963E+01 Qxc -0.4707470E+01 3,-1 122 3 -1 1.410265 -2.197652 -2.165206 Rho 0.7077859E-02 |GRAD(Rho)| 0.8114300E-17 GRAD(Rho)x 0.1615681E-17 GRAD(Rho)y 0.5518429E-17 GRAD(Rho)z -0.5725240E-17 Laplacian 0.2803254E-01 (-1/4)Del**2(Rho)) -0.7008134E-02 Diamond 0.1337353E-02 Metallicity 0.6413876E+00 Ellipticity 0.5438342E+00 Gb(Abramov) 0.5421244E-02 Vb(Abramov) -0.3834355E-02 Hb(Abramov) 0.1586890E-02 Ex_ueg -0.1003662E-02 Ec_ueg -0.2373990E-03 Delta_ex -0.1664650E-02 Delta_ec 0.1189135E-02 Delta_et -0.7048672E-02 Pxc 0.4227744E+01 Qxc -0.1399883E+01 3,-1 123 3 -1 1.653021 -1.803797 0.473354 Rho 0.4678453E-01 |GRAD(Rho)| 0.1130779E-15 GRAD(Rho)x 0.9216904E-16 GRAD(Rho)y -0.4319953E-16 GRAD(Rho)z -0.4924713E-16 Laplacian 0.1831528E+00 (-1/4)Del**2(Rho)) -0.4578820E-01 Diamond 0.8467214E-01 Metallicity 0.2285442E+01 Ellipticity 0.1619834E-01 Gb(Abramov) 0.4796651E-01 Vb(Abramov) -0.5014482E-01 Hb(Abramov) -0.2178309E-02 Ex_ueg -0.1245054E-01 Ec_ueg -0.2237921E-02 Delta_ex -0.1481903E-01 Delta_ec 0.5447209E-02 Delta_et -0.5644343E-01 Pxc 0.5563440E+01 Qxc -0.2720482E+01 3,-1 124 3 -1 0.409145 0.395696 -0.538844 Rho 0.1770857E+00 |GRAD(Rho)| 0.2485764E-14 GRAD(Rho)x -0.1689621E-14 GRAD(Rho)y -0.1214306E-14 GRAD(Rho)z 0.1360023E-14 Laplacian 0.4557487E+00 (-1/4)Del**2(Rho)) -0.1139372E+00 Diamond 0.1152495E+01 Metallicity 0.8443582E+01 Ellipticity 0.8082708E-02 Gb(Abramov) 0.2362978E+00 Vb(Abramov) -0.3586583E+00 Hb(Abramov) -0.1223606E+00 Ex_ueg -0.7344511E-01 Ec_ueg -0.1019938E-01 Delta_ex -0.5120513E-01 Delta_ec 0.1144299E-01 Delta_et -0.1565465E+00 Pxc 0.7200936E+01 Qxc -0.4474802E+01 3,-1 125 3 +1 0.518043 0.482744 1.677647 Rho 0.7316416E-02 |GRAD(Rho)| 0.1116935E-16 GRAD(Rho)x -0.4565609E-17 GRAD(Rho)y 0.3975610E-17 GRAD(Rho)z 0.9386381E-17 Laplacian 0.2820959E-01 (-1/4)Del**2(Rho)) -0.7052396E-02 Diamond 0.6079607E-03 Metallicity 0.6735665E+00 Ellipticity -0.1399099E+01 Gb(Abramov) 0.5493307E-02 Vb(Abramov) -0.3934218E-02 Hb(Abramov) 0.1559089E-02 Ex_ueg -0.1049018E-02 Ec_ueg -0.2479204E-03 Delta_ex -0.1238632E-02 Delta_ec 0.3990977E-03 Delta_et -0.2614376E-02 Pxc 0.4231270E+01 Qxc -0.3103580E+01 3,+1 126 3 -1 0.473443 -1.769380 1.721316 Rho 0.4739179E-01 |GRAD(Rho)| 0.1029362E-15 GRAD(Rho)x 0.1618574E-16 GRAD(Rho)y 0.6528549E-16 GRAD(Rho)z -0.7792110E-16 Laplacian 0.1873488E+00 (-1/4)Del**2(Rho)) -0.4683720E-01 Diamond 0.8782531E-01 Metallicity 0.2282797E+01 Ellipticity 0.1319177E-01 Gb(Abramov) 0.4904477E-01 Vb(Abramov) -0.5125234E-01 Hb(Abramov) -0.2207574E-02 Ex_ueg -0.1266648E-01 Ec_ueg -0.2271217E-02 Delta_ex -0.1519289E-01 Delta_ec 0.5545146E-02 Delta_et -0.5764740E-01 Pxc 0.5576956E+01 Qxc -0.2739855E+01 3,-1 127 3 +1 0.594302 -1.617590 -1.712144 Rho 0.2826173E-02 |GRAD(Rho)| 0.1374979E-14 GRAD(Rho)x 0.5515717E-15 GRAD(Rho)y 0.8734738E-15 GRAD(Rho)z 0.9074025E-15 Laplacian 0.1076317E-01 (-1/4)Del**2(Rho)) -0.2690793E-02 Diamond 0.6606449E-04 Metallicity 0.3616907E+00 Ellipticity -0.1109600E+01 Gb(Abramov) 0.1956068E-02 Vb(Abramov) -0.1221343E-02 Hb(Abramov) 0.7347252E-03 Ex_ueg -0.2951096E-03 Ec_ueg -0.5459819E-04 Delta_ex -0.3810166E-03 Delta_ec 0.1592269E-03 Delta_et -0.8024028E-03 Pxc 0.5405117E+01 Qxc -0.2392917E+01 3,+1 128 3 -1 -0.054652 -3.218105 3.256982 Rho 0.2273319E+00 |GRAD(Rho)| 0.6464285E-14 GRAD(Rho)x 0.9270742E-15 GRAD(Rho)y 0.4443711E-14 GRAD(Rho)z -0.4602276E-14 Laplacian 0.8408974E+00 (-1/4)Del**2(Rho)) -0.2102243E+00 Diamond 0.2785938E+01 Metallicity 0.6939116E+01 Ellipticity 0.1475977E-02 Gb(Abramov) 0.3832781E+00 Vb(Abramov) -0.5563318E+00 Hb(Abramov) -0.1730537E+00 Ex_ueg -0.1024705E+00 Ec_ueg -0.1356780E-01 Delta_ex -0.1001719E+00 Delta_ec 0.1887134E-01 Delta_et -0.2608089E+00 Pxc 0.7552477E+01 Qxc -0.5308152E+01 3,-1 129 3 +1 0.530255 1.647972 0.480175 Rho 0.7534559E-02 |GRAD(Rho)| 0.3740256E-15 GRAD(Rho)x -0.3267013E-15 GRAD(Rho)y -0.1606220E-15 GRAD(Rho)z 0.8580224E-16 Laplacian 0.2913026E-01 (-1/4)Del**2(Rho)) -0.7282565E-02 Diamond 0.6607627E-03 Metallicity 0.6850125E+00 Ellipticity -0.1419489E+01 Gb(Abramov) 0.5686485E-02 Vb(Abramov) -0.4090404E-02 Hb(Abramov) 0.1596080E-02 Ex_ueg -0.1090926E-02 Ec_ueg -0.2575645E-03 Delta_ex -0.1292426E-02 Delta_ec 0.4191935E-03 Delta_et -0.2761140E-02 Pxc 0.4235547E+01 Qxc -0.3083125E+01 3,+1 130 3 -1 0.578550 1.808125 2.809113 Rho 0.1122094E+00 |GRAD(Rho)| 0.1081730E-15 GRAD(Rho)x 0.4064403E-16 GRAD(Rho)y 0.9039536E-16 GRAD(Rho)z -0.4333759E-16 Laplacian 0.4825714E+00 (-1/4)Del**2(Rho)) -0.1206429E+00 Diamond 0.7150986E+00 Metallicity 0.3727640E+01 Ellipticity 0.1673690E-01 Gb(Abramov) 0.1553808E+00 Vb(Abramov) -0.1901187E+00 Hb(Abramov) -0.3473790E-01 Ex_ueg -0.3997216E-01 Ec_ueg -0.6070415E-02 Delta_ex -0.4869097E-01 Delta_ec 0.1378166E-01 Delta_et -0.1759978E+00 Pxc 0.6584750E+01 Qxc -0.3533026E+01 3,-1 131 3 +1 1.217309 2.149575 -1.264364 Rho 0.2440949E-01 |GRAD(Rho)| 0.1672992E-16 GRAD(Rho)x -0.9636640E-17 GRAD(Rho)y 0.1221216E-16 GRAD(Rho)z -0.6155355E-17 Laplacian 0.9242022E-01 (-1/4)Del**2(Rho)) -0.2310505E-01 Diamond 0.1245249E-01 Metallicity 0.1531477E+01 Ellipticity -0.7118363E+01 Gb(Abramov) 0.2130085E-01 Vb(Abramov) -0.1949664E-01 Hb(Abramov) 0.1804207E-02 Ex_ueg -0.5229537E-02 Ec_ueg -0.1059029E-02 Delta_ex -0.5796271E-02 Delta_ec 0.1719682E-02 Delta_et -0.1505366E-01 Pxc 0.4938050E+01 Qxc -0.3370549E+01 3,+1 132 3 +1 1.100507 1.336000 -2.221043 Rho 0.2737576E-01 |GRAD(Rho)| 0.3848242E-16 GRAD(Rho)x -0.1893453E-17 GRAD(Rho)y 0.7912982E-17 GRAD(Rho)z -0.3761245E-16 Laplacian 0.1058117E+00 (-1/4)Del**2(Rho)) -0.2645294E-01 Diamond 0.1519508E-01 Metallicity 0.1619408E+01 Ellipticity -0.3734679E+01 Gb(Abramov) 0.2477497E-01 Vb(Abramov) -0.2309701E-01 Hb(Abramov) 0.1677963E-02 Ex_ueg -0.6093591E-02 Ec_ueg -0.1209058E-02 Delta_ex -0.6696067E-02 Delta_ec 0.1711903E-02 Delta_et -0.1546177E-01 Pxc 0.5039949E+01 Qxc -0.3911477E+01 3,+1 133 3 -1 1.708157 0.437432 -1.805964 Rho 0.4400746E-01 |GRAD(Rho)| 0.8713240E-16 GRAD(Rho)x -0.3619033E-16 GRAD(Rho)y 0.3912043E-16 GRAD(Rho)z 0.6893408E-16 Laplacian 0.1718267E+00 (-1/4)Del**2(Rho)) -0.4295668E-01 Diamond 0.7288221E-01 Metallicity 0.2199883E+01 Ellipticity 0.3494467E-01 Gb(Abramov) 0.4438774E-01 Vb(Abramov) -0.4581879E-01 Hb(Abramov) -0.1431055E-02 Ex_ueg -0.1147502E-01 Ec_ueg -0.2086409E-02 Delta_ex -0.1368060E-01 Delta_ec 0.5093211E-02 Delta_et -0.5192345E-01 Pxc 0.5499891E+01 Qxc -0.2686046E+01 3,-1 134 3 -1 0.381723 -0.541392 0.405498 Rho 0.1752100E+00 |GRAD(Rho)| 0.3809331E-12 GRAD(Rho)x -0.2191441E-12 GRAD(Rho)y 0.2186896E-12 GRAD(Rho)z -0.2219475E-12 Laplacian 0.4449100E+00 (-1/4)Del**2(Rho)) -0.1112275E+00 Diamond 0.1113705E+01 Metallicity 0.8497136E+01 Ellipticity 0.5337741E-02 Gb(Abramov) 0.2316708E+00 Vb(Abramov) -0.3521142E+00 Hb(Abramov) -0.1204434E+00 Ex_ueg -0.7240974E-01 Ec_ueg -0.1007640E-01 Delta_ex -0.4987833E-01 Delta_ec 0.1124364E-01 Delta_et -0.1537422E+00 Pxc 0.7186069E+01 Qxc -0.4436139E+01 3,-1 135 3 +1 1.209025 -2.219946 1.223488 Rho 0.2860337E-01 |GRAD(Rho)| 0.6177937E-16 GRAD(Rho)x -0.1113286E-16 GRAD(Rho)y 0.6076385E-16 GRAD(Rho)z 0.7107986E-18 Laplacian 0.1175279E+00 (-1/4)Del**2(Rho)) -0.2938196E-01 Diamond 0.2038848E-01 Metallicity 0.1568560E+01 Ellipticity -0.1003236E+02 Gb(Abramov) 0.2726920E-01 Vb(Abramov) -0.2515644E-01 Hb(Abramov) 0.2112762E-02 Ex_ueg -0.6460627E-02 Ec_ueg -0.1271795E-02 Delta_ex -0.7749505E-02 Delta_ec 0.2299787E-02 Delta_et -0.2093299E-01 Pxc 0.5079928E+01 Qxc -0.3369661E+01 3,+1 136 3 -1 0.855744 -2.998924 2.051127 Rho 0.1305037E+00 |GRAD(Rho)| 0.5278607E-15 GRAD(Rho)x -0.4988956E-15 GRAD(Rho)y 0.1034871E-15 GRAD(Rho)z 0.1379512E-15 Laplacian 0.5158936E+00 (-1/4)Del**2(Rho)) -0.1289734E+00 Diamond 0.8801638E+00 Metallicity 0.4484951E+01 Ellipticity 0.5104926E-01 Gb(Abramov) 0.1823888E+00 Vb(Abramov) -0.2358043E+00 Hb(Abramov) -0.5341543E-01 Ex_ueg -0.4888949E-01 Ec_ueg -0.7207411E-02 Delta_ex -0.5350386E-01 Delta_ec 0.1344956E-01 Delta_et -0.1751527E+00 Pxc 0.6783224E+01 Qxc -0.3978111E+01 3,-1 137 3 +1 1.791698 1.757317 1.780686 Rho 0.1209772E-01 |GRAD(Rho)| 0.5301034E-15 GRAD(Rho)x 0.4346469E-15 GRAD(Rho)y -0.1342835E-15 GRAD(Rho)z -0.2721388E-15 Laplacian 0.5899461E-01 (-1/4)Del**2(Rho)) -0.1474865E-01 Diamond 0.2316864E-02 Metallicity 0.7446864E+00 Ellipticity -0.1252882E+01 Gb(Abramov) 0.1166295E-01 Vb(Abramov) -0.8577258E-02 Hb(Abramov) 0.3085697E-02 Ex_ueg -0.2051114E-02 Ec_ueg -0.4640820E-03 Delta_ex -0.2885046E-02 Delta_ec 0.7282348E-03 Delta_et -0.5500090E-02 Pxc 0.4419723E+01 Qxc -0.3961697E+01 3,+1 138 3 -1 0.901314 1.977363 -3.008041 Rho 0.1115878E+00 |GRAD(Rho)| 0.1835045E-15 GRAD(Rho)x 0.5422366E-16 GRAD(Rho)y 0.1377953E-15 GRAD(Rho)z 0.1083796E-15 Laplacian 0.4611344E+00 (-1/4)Del**2(Rho)) -0.1152836E+00 Diamond 0.6714490E+00 Metallicity 0.3864974E+01 Ellipticity 0.3413158E-01 Gb(Abramov) 0.1511171E+00 Vb(Abramov) -0.1869506E+00 Hb(Abramov) -0.3583349E-01 Ex_ueg -0.3967715E-01 Ec_ueg -0.6032191E-02 Delta_ex -0.4635937E-01 Delta_ec 0.1299247E-01 Delta_et -0.1654724E+00 Pxc 0.6577569E+01 Qxc -0.3568172E+01 3,-1 139 3 +1 1.316231 -1.126348 2.148244 Rho 0.2503402E-01 |GRAD(Rho)| 0.5578134E-14 GRAD(Rho)x -0.4966091E-14 GRAD(Rho)y 0.1234084E-14 GRAD(Rho)z 0.2220486E-14 Laplacian 0.9711627E-01 (-1/4)Del**2(Rho)) -0.2427907E-01 Diamond 0.1305626E-01 Metallicity 0.1520100E+01 Ellipticity -0.4420079E+01 Gb(Abramov) 0.2233715E-01 Vb(Abramov) -0.2039523E-01 Hb(Abramov) 0.1941921E-02 Ex_ueg -0.5408695E-02 Ec_ueg -0.1090427E-02 Delta_ex -0.6078154E-02 Delta_ec 0.1712004E-02 Delta_et -0.1510242E-01 Pxc 0.4960162E+01 Qxc -0.3550316E+01 3,+1 140 3 -1 1.746017 1.697348 -0.572603 Rho 0.3627579E-01 |GRAD(Rho)| 0.1997522E-16 GRAD(Rho)x 0.1625012E-16 GRAD(Rho)y -0.9473428E-17 GRAD(Rho)z -0.6722901E-17 Laplacian 0.1412989E+00 (-1/4)Del**2(Rho)) -0.3532472E-01 Diamond 0.4467427E-01 Metallicity 0.1938664E+01 Ellipticity 0.5402790E-01 Gb(Abramov) 0.3496361E-01 Vb(Abramov) -0.3460250E-01 Hb(Abramov) 0.3611138E-03 Ex_ueg -0.8868991E-02 Ec_ueg -0.1671636E-02 Delta_ex -0.1063038E-01 Delta_ec 0.4026930E-02 Delta_et -0.3896373E-01 Pxc 0.5305575E+01 Qxc -0.2639822E+01 3,-1 141 3 +1 -1.772011 -1.784193 1.842803 Rho 0.1158516E-01 |GRAD(Rho)| 0.1563849E-15 GRAD(Rho)x -0.1185825E-15 GRAD(Rho)y 0.5796958E-17 GRAD(Rho)z -0.1017882E-15 Laplacian 0.5476991E-01 (-1/4)Del**2(Rho)) -0.1369248E-01 Diamond 0.2012112E-02 Metallicity 0.7462907E+00 Ellipticity -0.1267400E+01 Gb(Abramov) 0.1083141E-01 Vb(Abramov) -0.7970348E-02 Hb(Abramov) 0.2861064E-02 Ex_ueg -0.1936071E-02 Ec_ueg -0.4404527E-03 Delta_ex -0.2643368E-02 Delta_ec 0.6680981E-03 Delta_et -0.5000134E-02 Pxc 0.4395639E+01 Qxc -0.3956557E+01 3,+1 142 3 -1 1.808540 -2.980003 -0.561253 Rho 0.2174148E+00 |GRAD(Rho)| 0.1164985E-12 GRAD(Rho)x 0.8425259E-13 GRAD(Rho)y 0.3957731E-13 GRAD(Rho)z 0.7005019E-13 Laplacian 0.8523447E+00 (-1/4)Del**2(Rho)) -0.2130862E+00 Diamond 0.2644499E+01 Metallicity 0.6355454E+01 Ellipticity 0.1714910E-01 Gb(Abramov) 0.3677673E+00 Vb(Abramov) -0.5224485E+00 Hb(Abramov) -0.1546812E+00 Ex_ueg -0.9655409E-01 Ec_ueg -0.1289186E-01 Delta_ex -0.1001765E+00 Delta_ec 0.1902881E-01 Delta_et -0.2610118E+00 Pxc 0.7489541E+01 Qxc -0.5264463E+01 3,-1 143 3 +3 1.889603 -1.896880 1.912303 Rho 0.1208227E-01 |GRAD(Rho)| 0.5642363E-15 GRAD(Rho)x -0.2819596E-15 GRAD(Rho)y 0.2696286E-15 GRAD(Rho)z -0.4076296E-15 Laplacian 0.5691369E-01 (-1/4)Del**2(Rho)) -0.1422842E-01 Diamond 0.1314445E-02 Metallicity 0.7702717E+00 Ellipticity -0.7026728E+00 Gb(Abramov) 0.1131224E-01 Vb(Abramov) -0.8396058E-02 Hb(Abramov) 0.2916182E-02 Ex_ueg -0.2047622E-02 Ec_ueg -0.4633682E-03 Delta_ex -0.2519811E-02 Delta_ec 0.2338321E-03 Delta_et -0.2142872E-02 Pxc 0.4418995E+01 Qxc -0.1077615E+02 3,+3 144 3 +1 1.636261 -2.036020 -2.000138 Rho 0.6834769E-02 |GRAD(Rho)| 0.5795233E-17 GRAD(Rho)x 0.3059881E-18 GRAD(Rho)y 0.5702445E-17 GRAD(Rho)z 0.9865167E-18 Laplacian 0.3024748E-01 (-1/4)Del**2(Rho)) -0.7561869E-02 Diamond 0.9299291E-03 Metallicity 0.5607859E+00 Ellipticity -0.1909704E+01 Gb(Abramov) 0.5748011E-02 Vb(Abramov) -0.3934153E-02 Hb(Abramov) 0.1813858E-02 Ex_ueg -0.9579662E-03 Ec_ueg -0.2267052E-03 Delta_ex -0.1511301E-02 Delta_ec 0.7947555E-03 Delta_et -0.4800272E-02 Pxc 0.4225602E+01 Qxc -0.1901593E+01 3,+1 145 3 +1 0.147789 2.968988 -0.139439 Rho 0.5429407E-02 |GRAD(Rho)| 0.3057178E-17 GRAD(Rho)x 0.1607858E-17 GRAD(Rho)y 0.3628334E-18 GRAD(Rho)z 0.2574778E-17 Laplacian 0.2136907E-01 (-1/4)Del**2(Rho)) -0.5342268E-02 Diamond 0.5522916E-03 Metallicity 0.5408558E+00 Ellipticity -0.4412418E+01 Gb(Abramov) 0.4043078E-02 Vb(Abramov) -0.2743888E-02 Hb(Abramov) 0.1299190E-02 Ex_ueg -0.7047822E-03 Ec_ueg -0.1654385E-03 Delta_ex -0.1075902E-02 Delta_ec 0.6663308E-03 Delta_et -0.3711942E-02 Pxc 0.4260086E+01 Qxc -0.1614667E+01 3,+1 146 3 +1 2.049298 -2.045152 2.073433 Rho 0.1232595E-01 |GRAD(Rho)| 0.9715492E-17 GRAD(Rho)x -0.6539178E-17 GRAD(Rho)y 0.2922191E-17 GRAD(Rho)z 0.6564353E-17 Laplacian 0.5880052E-01 (-1/4)Del**2(Rho)) -0.1470013E-01 Diamond 0.2043552E-02 Metallicity 0.7707844E+00 Ellipticity -0.1157842E+01 Gb(Abramov) 0.1168853E-01 Vb(Abramov) -0.8676920E-02 Hb(Abramov) 0.3011605E-02 Ex_ueg -0.2102870E-02 Ec_ueg -0.4746370E-03 Delta_ex -0.2799069E-02 Delta_ec 0.5636877E-03 Delta_et -0.4405599E-02 Pxc 0.4430481E+01 Qxc -0.4965637E+01 3,+1 147 3 +1 2.132120 -1.314813 1.150579 Rho 0.2551145E-01 |GRAD(Rho)| 0.3270714E-16 GRAD(Rho)x -0.2727714E-16 GRAD(Rho)y 0.9725136E-17 GRAD(Rho)z 0.1520317E-16 Laplacian 0.1023552E+00 (-1/4)Del**2(Rho)) -0.2558881E-01 Diamond 0.1512983E-01 Metallicity 0.1488430E+01 Ellipticity -0.6994353E+01 Gb(Abramov) 0.2340706E-01 Vb(Abramov) -0.2122532E-01 Hb(Abramov) 0.2181744E-02 Ex_ueg -0.5546665E-02 Ec_ueg -0.1114499E-02 Delta_ex -0.6544724E-02 Delta_ec 0.1994407E-02 Delta_et -0.1763628E-01 Pxc 0.4976822E+01 Qxc -0.3281539E+01 3,+1 148 3 -1 2.006007 -0.848239 3.014669 Rho 0.1405841E+00 |GRAD(Rho)| 0.5367765E-15 GRAD(Rho)x 0.2129238E-15 GRAD(Rho)y 0.4837981E-15 GRAD(Rho)z -0.9344467E-16 Laplacian 0.5498873E+00 (-1/4)Del**2(Rho)) -0.1374718E+00 Diamond 0.1031838E+01 Metallicity 0.4763212E+01 Ellipticity 0.3617478E-01 Gb(Abramov) 0.2007824E+00 Vb(Abramov) -0.2640931E+00 Hb(Abramov) -0.6331062E-01 Ex_ueg -0.5398835E-01 Ec_ueg -0.7843513E-02 Delta_ex -0.5813368E-01 Delta_ec 0.1419520E-01 Delta_et -0.1872427E+00 Pxc 0.6883185E+01 Qxc -0.4095307E+01 3,-1 149 3 -1 1.932474 -0.643638 -3.012482 Rho 0.2283430E+00 |GRAD(Rho)| 0.4140015E-13 GRAD(Rho)x 0.2636465E-13 GRAD(Rho)y 0.2811407E-13 GRAD(Rho)z 0.1511546E-13 Laplacian 0.8818381E+00 (-1/4)Del**2(Rho)) -0.2204595E+00 Diamond 0.2907280E+01 Metallicity 0.6666079E+01 Ellipticity 0.6880834E-02 Gb(Abramov) 0.3919065E+00 Vb(Abramov) -0.5633534E+00 Hb(Abramov) -0.1714469E+00 Ex_ueg -0.1030786E+00 Ec_ueg -0.1363702E-01 Delta_ex -0.1049998E+00 Delta_ec 0.1946067E-01 Delta_et -0.2677507E+00 Pxc 0.7558735E+01 Qxc -0.5395487E+01 3,-1 150 3 -1 2.042691 3.019905 -0.848089 Rho 0.1524211E+00 |GRAD(Rho)| 0.1414972E-13 GRAD(Rho)x 0.8626292E-14 GRAD(Rho)y -0.5991532E-14 GRAD(Rho)z 0.9481727E-14 Laplacian 0.5894459E+00 (-1/4)Del**2(Rho)) -0.1473615E+00 Diamond 0.1217803E+01 Metallicity 0.5084457E+01 Ellipticity 0.2658559E-01 Gb(Abramov) 0.2231165E+00 Vb(Abramov) -0.2988715E+00 Hb(Abramov) -0.7575502E-01 Ex_ueg -0.6013288E-01 Ec_ueg -0.8598682E-02 Delta_ex -0.6355179E-01 Delta_ec 0.1489777E-01 Delta_et -0.1987606E+00 Pxc 0.6993267E+01 Qxc -0.4265858E+01 3,-1 151 3 -1 1.854193 2.779966 0.542982 Rho 0.1508152E+00 |GRAD(Rho)| 0.5270261E-15 GRAD(Rho)x 0.4581296E-15 GRAD(Rho)y -0.1535501E-16 GRAD(Rho)z -0.2600730E-15 Laplacian 0.6256327E+00 (-1/4)Del**2(Rho)) -0.1564082E+00 Diamond 0.1266348E+01 Metallicity 0.4706547E+01 Ellipticity 0.1267435E-01 Gb(Abramov) 0.2269625E+00 Vb(Abramov) -0.2975169E+00 Hb(Abramov) -0.7055435E-01 Ex_ueg -0.5928962E-01 Ec_ueg -0.8495722E-02 Delta_ex -0.6717997E-01 Delta_ec 0.1567972E-01 Delta_et -0.2084836E+00 Pxc 0.6978763E+01 Qxc -0.4284512E+01 3,-1 152 3 +3 2.282491 0.002847 0.047016 Rho 0.4158145E-02 |GRAD(Rho)| 0.2314687E-15 GRAD(Rho)x -0.1067954E-15 GRAD(Rho)y 0.1475790E-15 GRAD(Rho)z -0.1428038E-15 Laplacian 0.1718922E-01 (-1/4)Del**2(Rho)) -0.4297306E-02 Diamond 0.1273939E-03 Metallicity 0.4310453E+00 Ellipticity -0.2715089E+00 Gb(Abramov) 0.3173593E-02 Vb(Abramov) -0.2049880E-02 Hb(Abramov) 0.1123713E-02 Ex_ueg -0.4938381E-03 Ec_ueg -0.1108662E-03 Delta_ex -0.6049169E-03 Delta_ec 0.1480166E-03 Delta_et -0.9220451E-03 Pxc 0.4454361E+01 Qxc -0.4086817E+01 3,+3 153 3 -1 1.710875 -0.574711 1.715111 Rho 0.3536295E-01 |GRAD(Rho)| 0.4541924E-13 GRAD(Rho)x 0.3922619E-13 GRAD(Rho)y 0.5480722E-14 GRAD(Rho)z 0.2223004E-13 Laplacian 0.1361077E+00 (-1/4)Del**2(Rho)) -0.3402692E-01 Diamond 0.4139126E-01 Metallicity 0.1928908E+01 Ellipticity 0.4815290E-01 Gb(Abramov) 0.3362375E-01 Vb(Abramov) -0.3322057E-01 Hb(Abramov) 0.4031763E-03 Ex_ueg -0.8572677E-02 Ec_ueg -0.1623410E-02 Delta_ex -0.1016332E-01 Delta_ec 0.3858220E-02 Delta_et -0.3707418E-01 Pxc 0.5280661E+01 Qxc -0.2634199E+01 3,-1 154 3 -1 1.840982 0.550054 2.804443 Rho 0.1528342E+00 |GRAD(Rho)| 0.5494799E-12 GRAD(Rho)x 0.3969948E-12 GRAD(Rho)y -0.3570329E-12 GRAD(Rho)z -0.1298105E-12 Laplacian 0.6336149E+00 (-1/4)Del**2(Rho)) -0.1584037E+00 Diamond 0.1300886E+01 Metallicity 0.4751404E+01 Ellipticity 0.1026879E-01 Gb(Abramov) 0.2310425E+00 Vb(Abramov) -0.3036813E+00 Hb(Abramov) -0.7263877E-01 Ex_ueg -0.6035025E-01 Ec_ueg -0.8625189E-02 Delta_ex -0.6823868E-01 Delta_ec 0.1578763E-01 Delta_et -0.2101992E+00 Pxc 0.6996977E+01 Qxc -0.4322288E+01 3,-1 155 3 -1 2.035913 0.806150 -3.053859 Rho 0.1473665E+00 |GRAD(Rho)| 0.8132259E-12 GRAD(Rho)x -0.5494490E-12 GRAD(Rho)y 0.5995291E-12 GRAD(Rho)z 0.2641198E-14 Laplacian 0.5569466E+00 (-1/4)Del**2(Rho)) -0.1392367E+00 Diamond 0.1113457E+01 Metallicity 0.5087029E+01 Ellipticity 0.2289279E-01 Gb(Abramov) 0.2108746E+00 Vb(Abramov) -0.2825125E+00 Hb(Abramov) -0.7163793E-01 Ex_ueg -0.5748882E-01 Ec_ueg -0.8275146E-02 Delta_ex -0.5963861E-01 Delta_ec 0.1434911E-01 Delta_et -0.1908902E+00 Pxc 0.6947167E+01 Qxc -0.4156260E+01 3,-1 156 3 -1 1.975880 -3.032010 0.870048 Rho 0.1328963E+00 |GRAD(Rho)| 0.1110253E-11 GRAD(Rho)x -0.8131553E-12 GRAD(Rho)y 0.6506796E-12 GRAD(Rho)z 0.3847794E-12 Laplacian 0.5070125E+00 (-1/4)Del**2(Rho)) -0.1267531E+00 Diamond 0.8964272E+00 Metallicity 0.4703802E+01 Ellipticity 0.3091500E-01 Gb(Abramov) 0.1838723E+00 Vb(Abramov) -0.2409916E+00 Hb(Abramov) -0.5711923E-01 Ex_ueg -0.5008819E-01 Ec_ueg -0.7357791E-02 Delta_ex -0.5295865E-01 Delta_ec 0.1341805E-01 Delta_et -0.1757472E+00 Pxc 0.6807504E+01 Qxc -0.3946821E+01 3,-1 157 3 -1 2.726437 -1.852248 -0.581648 Rho 0.1426726E+00 |GRAD(Rho)| 0.1688699E-15 GRAD(Rho)x -0.4481143E-16 GRAD(Rho)y -0.1191809E-15 GRAD(Rho)z 0.1109274E-15 Laplacian 0.5858794E+00 (-1/4)Del**2(Rho)) -0.1464698E+00 Diamond 0.1117232E+01 Metallicity 0.4581834E+01 Ellipticity 0.1017616E-01 Gb(Abramov) 0.2094967E+00 Vb(Abramov) -0.2725235E+00 Hb(Abramov) -0.6302680E-01 Ex_ueg -0.5506039E-01 Ec_ueg -0.7976119E-02 Delta_ex -0.6214281E-01 Delta_ec 0.1503588E-01 Delta_et -0.1986953E+00 Pxc 0.6903155E+01 Qxc -0.4132967E+01 3,-1 158 3 -1 2.943305 -2.016905 0.832202 Rho 0.9546170E-01 |GRAD(Rho)| 0.4806680E-15 GRAD(Rho)x -0.1999540E-15 GRAD(Rho)y -0.3559232E-16 GRAD(Rho)z -0.4356528E-15 Laplacian 0.3811453E+00 (-1/4)Del**2(Rho)) -0.9528633E-01 Diamond 0.4441538E+00 Metallicity 0.3604994E+01 Ellipticity 0.1426116E-01 Gb(Abramov) 0.1207753E+00 Vb(Abramov) -0.1462643E+00 Hb(Abramov) -0.2548899E-01 Ex_ueg -0.3222235E-01 Ec_ueg -0.5050968E-02 Delta_ex -0.3667173E-01 Delta_ec 0.1060546E-01 Delta_et -0.1303667E+00 Pxc 0.6379442E+01 Qxc -0.3457816E+01 3,-1 159 3 -1 2.827929 1.815598 0.577689 Rho 0.1272091E+00 |GRAD(Rho)| 0.5549287E-12 GRAD(Rho)x 0.1215361E-12 GRAD(Rho)y -0.3934301E-12 GRAD(Rho)z 0.3720048E-12 Laplacian 0.5272891E+00 (-1/4)Del**2(Rho)) -0.1318223E+00 Diamond 0.8775116E+00 Metallicity 0.4204952E+01 Ellipticity 0.1178701E-01 Gb(Abramov) 0.1802659E+00 Vb(Abramov) -0.2287096E+00 Hb(Abramov) -0.4844364E-01 Ex_ueg -0.4725079E-01 Ec_ueg -0.7000954E-02 Delta_ex -0.5441317E-01 Delta_ec 0.1394450E-01 Delta_et -0.1810525E+00 Pxc 0.6749193E+01 Qxc -0.3902123E+01 3,-1 160 3 -1 2.998409 -0.844597 2.009615 Rho 0.1618474E+00 |GRAD(Rho)| 0.7546657E-12 GRAD(Rho)x -0.2497706E-12 GRAD(Rho)y 0.5408698E-12 GRAD(Rho)z 0.4632437E-12 Laplacian 0.6364669E+00 (-1/4)Del**2(Rho)) -0.1591167E+00 Diamond 0.1404267E+01 Metallicity 0.5204114E+01 Ellipticity 0.4355197E-01 Gb(Abramov) 0.2440881E+00 Vb(Abramov) -0.3290594E+00 Hb(Abramov) -0.8497135E-01 Ex_ueg -0.6514173E-01 Ec_ueg -0.9206181E-02 Delta_ex -0.6956682E-01 Delta_ec 0.1570116E-01 Delta_et -0.2107629E+00 Pxc 0.7075869E+01 Qxc -0.4430681E+01 3,-1 161 3 -1 2.753585 -0.622516 -1.835087 Rho 0.1287060E+00 |GRAD(Rho)| 0.6123341E-12 GRAD(Rho)x 0.1324201E-12 GRAD(Rho)y -0.3644324E-12 GRAD(Rho)z 0.4739273E-12 Laplacian 0.5270832E+00 (-1/4)Del**2(Rho)) -0.1317708E+00 Diamond 0.8926436E+00 Metallicity 0.4289419E+01 Ellipticity 0.7055151E-02 Gb(Abramov) 0.1820506E+00 Vb(Abramov) -0.2323303E+00 Hb(Abramov) -0.5027977E-01 Ex_ueg -0.4799360E-01 Ec_ueg -0.7094668E-02 Delta_ex -0.5458249E-01 Delta_ec 0.1396701E-01 Delta_et -0.1818173E+00 Pxc 0.6764742E+01 Qxc -0.3907957E+01 3,-1 162 3 +1 2.995903 0.133088 -0.107960 Rho 0.5199255E-02 |GRAD(Rho)| 0.4590618E-16 GRAD(Rho)x -0.4297135E-17 GRAD(Rho)y 0.4434882E-16 GRAD(Rho)z 0.1104962E-16 Laplacian 0.2108092E-01 (-1/4)Del**2(Rho)) -0.5270231E-02 Diamond 0.5103542E-03 Metallicity 0.5100649E+00 Ellipticity -0.2994791E+01 Gb(Abramov) 0.3961514E-02 Vb(Abramov) -0.2652797E-02 Hb(Abramov) 0.1308717E-02 Ex_ueg -0.6652322E-03 Ec_ueg -0.1554976E-03 Delta_ex -0.1049226E-02 Delta_ec 0.6515900E-03 Delta_et -0.3585359E-02 Pxc 0.4278086E+01 Qxc -0.1610256E+01 3,+1 163 3 -1 3.236326 0.053062 3.228048 Rho 0.2278400E+00 |GRAD(Rho)| 0.4313747E-15 GRAD(Rho)x 0.2468186E-15 GRAD(Rho)y 0.3167226E-16 GRAD(Rho)z 0.3523657E-15 Laplacian 0.8272819E+00 (-1/4)Del**2(Rho)) -0.2068205E+00 Diamond 0.2760125E+01 Metallicity 0.7079614E+01 Ellipticity 0.5154761E-02 Gb(Abramov) 0.3819152E+00 Vb(Abramov) -0.5570099E+00 Hb(Abramov) -0.1750947E+00 Ex_ueg -0.1027760E+00 Ec_ueg -0.1360258E-01 Delta_ex -0.9867514E-01 Delta_ec 0.1867525E-01 Delta_et -0.2586284E+00 Pxc 0.7555626E+01 Qxc -0.5283739E+01 3,-1 164 3 -1 3.304224 -0.084463 -3.195262 Rho 0.2213071E+00 |GRAD(Rho)| 0.1997372E-10 GRAD(Rho)x -0.1625443E-10 GRAD(Rho)y 0.1767509E-11 GRAD(Rho)z 0.1147252E-10 Laplacian 0.8136822E+00 (-1/4)Del**2(Rho)) -0.2034205E+00 Diamond 0.2620091E+01 Metallicity 0.6857258E+01 Ellipticity 0.1685504E-01 Gb(Abramov) 0.3680982E+00 Vb(Abramov) -0.5327759E+00 Hb(Abramov) -0.1646777E+00 Ex_ueg -0.9886565E-01 Ec_ueg -0.1315650E-01 Delta_ex -0.9631704E-01 Delta_ec 0.1850832E-01 Delta_et -0.2558601E+00 Pxc 0.7514584E+01 Qxc -0.5203985E+01 3,-1 165 3 -1 3.258735 3.214663 0.071358 Rho 0.2269461E+00 |GRAD(Rho)| 0.5975038E-14 GRAD(Rho)x 0.3435566E-14 GRAD(Rho)y -0.2375866E-14 GRAD(Rho)z 0.4272380E-14 Laplacian 0.8254180E+00 (-1/4)Del**2(Rho)) -0.2063545E+00 Diamond 0.2739341E+01 Metallicity 0.7049264E+01 Ellipticity 0.6067894E-02 Gb(Abramov) 0.3800109E+00 Vb(Abramov) -0.5536673E+00 Hb(Abramov) -0.1736564E+00 Ex_ueg -0.1022387E+00 Ec_ueg -0.1354140E-01 Delta_ex -0.9834350E-01 Delta_ec 0.1863820E-01 Delta_et -0.2579979E+00 Pxc 0.7550082E+01 Qxc -0.5276449E+01 3,-1 166 3 -1 2.819080 0.567406 1.832287 Rho 0.1436431E+00 |GRAD(Rho)| 0.1456282E-15 GRAD(Rho)x 0.3560249E-16 GRAD(Rho)y 0.7420009E-16 GRAD(Rho)z -0.1201432E-15 Laplacian 0.5963949E+00 (-1/4)Del**2(Rho)) -0.1490987E+00 Diamond 0.1143481E+01 Metallicity 0.4552193E+01 Ellipticity 0.1578679E-01 Gb(Abramov) 0.2125202E+00 Vb(Abramov) -0.2759416E+00 Hb(Abramov) -0.6342145E-01 Ex_ueg -0.5556033E-01 Ec_ueg -0.8037832E-02 Delta_ex -0.6333028E-01 Delta_ec 0.1522186E-01 Delta_et -0.2012265E+00 Pxc 0.6912353E+01 Qxc -0.4160483E+01 3,-1 167 3 -1 2.998975 0.796202 -1.995727 Rho 0.8599548E-01 |GRAD(Rho)| 0.1908320E-15 GRAD(Rho)x -0.7273303E-16 GRAD(Rho)y -0.5110319E-16 GRAD(Rho)z -0.1688645E-15 Laplacian 0.3442254E+00 (-1/4)Del**2(Rho)) -0.8605636E-01 Diamond 0.3526242E+00 Metallicity 0.3353999E+01 Ellipticity 0.1248885E-01 Gb(Abramov) 0.1054764E+00 Vb(Abramov) -0.1248964E+00 Hb(Abramov) -0.1942004E-01 Ex_ueg -0.2803405E-01 Ec_ueg -0.4484831E-02 Delta_ex -0.3231215E-01 Delta_ec 0.9760690E-02 Delta_et -0.1173657E+00 Pxc 0.6250861E+01 Qxc -0.3310437E+01 3,-1 168 3 -1 3.038029 1.990970 -0.821473 Rho 0.1689145E+00 |GRAD(Rho)| 0.5688620E-15 GRAD(Rho)x -0.1381003E-15 GRAD(Rho)y 0.3805550E-16 GRAD(Rho)z 0.5505308E-15 Laplacian 0.6615782E+00 (-1/4)Del**2(Rho)) -0.1653946E+00 Diamond 0.1536102E+01 Metallicity 0.5376216E+01 Ellipticity 0.4194977E-01 Gb(Abramov) 0.2584625E+00 Vb(Abramov) -0.3515305E+00 Hb(Abramov) -0.9306796E-01 Ex_ueg -0.6896163E-01 Ec_ueg -0.9665112E-02 Delta_ex -0.7308262E-01 Delta_ec 0.1613554E-01 Delta_et -0.2176803E+00 Pxc 0.7135110E+01 Qxc -0.4529296E+01 3,-1 169 3 -1 -1.843726 2.796411 -0.553217 Rho 0.1415518E+00 |GRAD(Rho)| 0.1213112E-12 GRAD(Rho)x 0.7283756E-13 GRAD(Rho)y 0.9392232E-13 GRAD(Rho)z 0.2428357E-13 Laplacian 0.5763879E+00 (-1/4)Del**2(Rho)) -0.1440970E+00 Diamond 0.1089408E+01 Metallicity 0.4596465E+01 Ellipticity 0.1394263E-01 Gb(Abramov) 0.2064541E+00 Vb(Abramov) -0.2688113E+00 Hb(Abramov) -0.6235713E-01 Ex_ueg -0.5448441E-01 Ec_ueg -0.7904921E-02 Delta_ex -0.6102537E-01 Delta_ec 0.1483315E-01 Delta_et -0.1958137E+00 Pxc 0.6892468E+01 Qxc -0.4114120E+01 3,-1 170 3 -1 -2.035024 3.006812 0.839293 Rho 0.1298271E+00 |GRAD(Rho)| 0.2775113E-15 GRAD(Rho)x -0.1125470E-15 GRAD(Rho)y -0.8951444E-16 GRAD(Rho)z -0.2373454E-15 Laplacian 0.5080239E+00 (-1/4)Del**2(Rho)) -0.1270060E+00 Diamond 0.8594593E+00 Metallicity 0.4515142E+01 Ellipticity 0.1327525E-01 Gb(Abramov) 0.1802456E+00 Vb(Abramov) -0.2334853E+00 Hb(Abramov) -0.5323968E-01 Ex_ueg -0.4855183E-01 Ec_ueg -0.7164955E-02 Delta_ex -0.5259887E-01 Delta_ec 0.1322034E-01 Delta_et -0.1719477E+00 Pxc 0.6776292E+01 Qxc -0.3978634E+01 3,-1 171 3 -1 -0.063379 3.189328 -3.224494 Rho 0.2045134E+00 |GRAD(Rho)| 0.1048061E-14 GRAD(Rho)x -0.7029154E-15 GRAD(Rho)y -0.5432395E-15 GRAD(Rho)z -0.5560873E-15 Laplacian 0.7795795E+00 (-1/4)Del**2(Rho)) -0.1948949E+00 Diamond 0.2274358E+01 Metallicity 0.6275127E+01 Ellipticity 0.2696690E-02 Gb(Abramov) 0.3337616E+00 Vb(Abramov) -0.4726283E+00 Hb(Abramov) -0.1388667E+00 Ex_ueg -0.8899130E-01 Ec_ueg -0.1202063E-01 Delta_ex -0.9036841E-01 Delta_ec 0.1802741E-01 Delta_et -0.2475397E+00 Pxc 0.7403217E+01 Qxc -0.5012833E+01 3,-1 172 3 -1 0.879880 2.998836 -1.976505 Rho 0.1098291E+00 |GRAD(Rho)| 0.4382791E-15 GRAD(Rho)x 0.2444063E-15 GRAD(Rho)y 0.1826203E-15 GRAD(Rho)z 0.3146490E-15 Laplacian 0.4523816E+00 (-1/4)Del**2(Rho)) -0.1130954E+00 Diamond 0.6481448E+00 Metallicity 0.3836815E+01 Ellipticity 0.1904621E-01 Gb(Abramov) 0.1477179E+00 Vb(Abramov) -0.1823405E+00 Hb(Abramov) -0.3462254E-01 Ex_ueg -0.3884559E-01 Ec_ueg -0.5924218E-02 Delta_ex -0.4533964E-01 Delta_ec 0.1284311E-01 Delta_et -0.1631449E+00 Pxc 0.6557084E+01 Qxc -0.3530270E+01 3,-1 173 3 -1 0.839445 -1.987257 3.020820 Rho 0.1253587E+00 |GRAD(Rho)| 0.8643086E-13 GRAD(Rho)x -0.6408069E-13 GRAD(Rho)y -0.4412590E-13 GRAD(Rho)z -0.3764126E-13 Laplacian 0.4949114E+00 (-1/4)Del**2(Rho)) -0.1237278E+00 Diamond 0.8060045E+00 Metallicity 0.4371962E+01 Ellipticity 0.3400658E-01 Gb(Abramov) 0.1726408E+00 Vb(Abramov) -0.2215538E+00 Hb(Abramov) -0.4891296E-01 Ex_ueg -0.4633661E-01 Ec_ueg -0.6885320E-02 Delta_ex -0.5085155E-01 Delta_ec 0.1306039E-01 Delta_et -0.1690298E+00 Pxc 0.6729769E+01 Qxc -0.3893572E+01 3,-1 174 3 +3 1.958293 1.910730 -1.929330 Rho 0.1158009E-01 |GRAD(Rho)| 0.4606650E-17 GRAD(Rho)x -0.1237086E-17 GRAD(Rho)y -0.3625215E-17 GRAD(Rho)z -0.2559035E-17 Laplacian 0.5159124E-01 (-1/4)Del**2(Rho)) -0.1289781E-01 Diamond 0.1179240E-02 Metallicity 0.7916931E+00 Ellipticity -0.8176265E+00 Gb(Abramov) 0.1030039E-01 Vb(Abramov) -0.7702972E-02 Hb(Abramov) 0.2597419E-02 Ex_ueg -0.1934940E-02 Ec_ueg -0.4402192E-03 Delta_ex -0.2273011E-02 Delta_ec 0.2425059E-03 Delta_et -0.2136941E-02 Pxc 0.4395401E+01 Qxc -0.9373015E+01 3,+3 175 3 -1 3.202976 -3.232670 -0.058106 Rho 0.2226571E+00 |GRAD(Rho)| 0.2053963E-14 GRAD(Rho)x -0.1661323E-14 GRAD(Rho)y 0.1193381E-14 GRAD(Rho)z 0.1860355E-15 Laplacian 0.8236501E+00 (-1/4)Del**2(Rho)) -0.2059125E+00 Diamond 0.2666081E+01 Metallicity 0.6843283E+01 Ellipticity 0.1371292E-01 Gb(Abramov) 0.3721280E+00 Vb(Abramov) -0.5383434E+00 Hb(Abramov) -0.1662154E+00 Ex_ueg -0.9967058E-01 Ec_ueg -0.1324849E-01 Delta_ex -0.9761759E-01 Delta_ec 0.1864398E-01 Delta_et -0.2575904E+00 Pxc 0.7523166E+01 Qxc -0.5235877E+01 3,-1 176 3 -1 -0.814447 -3.525327 -1.331209 Rho 0.3230188E+00 |GRAD(Rho)| 0.3606364E-15 GRAD(Rho)x -0.1886842E-15 GRAD(Rho)y -0.1357044E-15 GRAD(Rho)z -0.2757557E-15 Laplacian -0.1639738E+01 (-1/4)Del**2(Rho)) 0.4099344E+00 Diamond 0.5737483E+01 Metallicity -0.6390749E+01 Ellipticity 0.1344912E-02 Gb(Abramov) 0.1633417E+00 Vb(Abramov) -0.7366178E+00 Hb(Abramov) -0.5732761E+00 Ex_ueg -0.1636900E+00 Ec_ueg -0.2036725E-01 Delta_ex 0.1641008E+00 Delta_ec 0.5683741E-01 Delta_et -0.1355772E+01 Pxc 0.8036921E+01 Qxc 0.2887198E+01 3,-1 177 3 -1 0.582440 2.789119 1.803583 Rho 0.1143476E+00 |GRAD(Rho)| 0.5025590E-15 GRAD(Rho)x -0.3036986E-15 GRAD(Rho)y -0.1711074E-15 GRAD(Rho)z 0.3620151E-15 Laplacian 0.4953142E+00 (-1/4)Del**2(Rho)) -0.1238286E+00 Diamond 0.7501941E+00 Metallicity 0.3747807E+01 Ellipticity 0.1195030E-01 Gb(Abramov) 0.1599000E+00 Vb(Abramov) -0.1959714E+00 Hb(Abramov) -0.3607140E-01 Ex_ueg -0.4099091E-01 Ec_ueg -0.6202087E-02 Delta_ex -0.5018851E-01 Delta_ec 0.1406908E-01 Delta_et -0.1802928E+00 Pxc 0.6609213E+01 Qxc -0.3567290E+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 76 126 115 110 173 136 128 134 121 124 108 94 111 114 138 172 171 109 130 177 113 117 118 123 157 142 158 156 175 140 159 151 168 150 165 66 75 169 76 170 79 91 74 90 73 85 72 64 70 96 62 82 65 61 83 95 68 87 69 153 166 154 160 148 163 133 161 149 167 155 164 57 122 105 100 106 176 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 17 21 21 25 28 37 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 19 28 36 27 52 52 2.391419 1.889426 1.870933 1.995776 1.980195 1.763734 1.726109 1.695462 1.720834 1.719970 2.378738 1.988206 1.986941 2.035174 2.041117 1.804411 2.433004 2.023427 2.015750 1.979295 1.991637 1.808865 2.397496 1.933775 1.779491 2.107514 1.975076 1.771902 2.504211 1.979277 1.914849 1.879528 1.919271 1.764743 2.407418 1.842441 1.940418 1.957240 1.984730 1.770496 2.369951 1.967912 2.098634 1.998366 2.015497 1.806197 2.361510 2.184841 1.932813 1.955587 1.770455 1.776016 2.446219 1.975190 2.049129 2.004611 1.995949 1.807637 2.517652 1.931309 1.909604 1.896069 1.950347 1.763220 2.420654 1.974479 1.762355 2.150284 1.934512 1.774476 3.279722 3.073011 3.440472 3.291262 1.877017 0.993042 2.393215 1.889730 1.871291 1.996325 1.980759 1.763747 1.726126 1.695517 1.720851 1.719976 2.380778 1.988512 1.987263 2.035467 2.041394 1.804417 2.435181 2.023645 2.016037 1.979553 1.991940 1.808873 2.399286 1.934218 1.779579 2.107957 1.975588 1.771920 2.505654 1.979683 1.915246 1.879986 1.919693 1.764758 2.408874 1.842774 1.940692 1.957698 1.985201 1.770509 2.372641 1.968125 2.098858 1.998762 2.016244 1.806215 2.363835 2.185163 1.933157 1.956137 1.770472 1.776034 2.448091 1.975385 2.049330 2.004925 1.996239 1.807645 2.519092 1.931783 1.909993 1.896559 1.950852 1.763230 2.422320 1.974868 1.762399 2.150708 1.934974 1.774501 3.291549 3.080672 3.442367 3.295648 1.880051 0.993110 29 27 25 25 25 24 23 23 22 24 30 28 27 25 24 23 30 27 24 27 25 28 29 25 24 27 25 23 29 26 26 24 25 24 31 24 24 26 24 24 30 26 28 26 26 25 30 28 27 28 25 24 31 27 28 26 28 26 29 25 26 24 26 22 29 25 24 25 25 23 35 33 37 37 26 17 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 W As Ta Ta W 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 H 2.4033 2.4493 2.1802 2.1810 2.3367 2.3844 2.3798 2.1599 2.3424 2.1616 2.3937 2.3012 -1.1063 -1.0189 -1.1089 -1.1021 -1.0171 -0.9940 -0.9450 -0.9801 -0.8105 -0.9874 -1.0089 -0.9797 -0.9969 -0.9702 -0.9902 -0.8565 -0.9999 -1.0437 -0.9936 -1.0293 -1.0062 -1.0283 -1.0500 -0.8684 -0.9078 -1.0343 -1.0123 -1.0142 -0.8767 -0.9003 -0.9650 -0.9793 -0.8933 -0.8836 -0.8969 -0.9724 -0.9045 -0.9774 -0.8785 0.3155 2.1092 0.8550 2.1127 2.1134 2.1297 2.1139 2.1184 2.1356 2.1458 2.1207 2.1077 2.1431 1.9362 1.9480 1.9371 1.9342 1.9213 1.9272 1.9362 1.9266 1.9571 1.9264 1.9244 1.9278 1.9250 1.9295 1.9260 1.9577 1.9356 1.9301 1.9368 1.9308 1.9333 1.9318 1.9268 1.9471 1.8654 1.9301 1.9335 1.9321 1.9525 1.9476 1.9370 1.9350 1.9487 1.9509 1.9489 1.9360 1.9464 1.9357 1.9517 0.5449 6.1041 1.1549 6.0862 6.0793 6.1155 6.1066 6.1062 6.0952 6.1069 6.0891 6.1051 6.1220 5.1342 5.0351 5.1361 5.1330 5.0721 5.0388 4.9799 5.0252 4.8202 5.0344 5.0585 5.0245 5.0455 5.0128 5.0378 4.8671 5.0366 5.0865 5.0294 5.0714 5.0441 5.0691 5.0983 4.8912 5.0162 5.0782 5.0502 5.0541 4.8930 4.9229 5.0029 5.0198 4.9145 4.9015 4.9179 5.0118 4.9287 5.0170 4.8954 0.1395 3.3536 10.5409 2.5862 2.5916 3.3890 3.3654 3.3658 2.5750 3.3760 2.5939 3.3639 3.4050 0.0360 0.0358 0.0357 0.0349 0.0238 0.0280 0.0288 0.0284 0.0332 0.0265 0.0260 0.0273 0.0264 0.0279 0.0263 0.0316 0.0276 0.0272 0.0274 0.0272 0.0289 0.0273 0.0250 0.0301 0.0262 0.0260 0.0287 0.0280 0.0312 0.0297 0.0250 0.0245 0.0301 0.0311 0.0301 0.0246 0.0295 0.0246 0.0314 0.0000 14.0297 0.0000 14.0348 14.0348 14.0291 14.0297 14.0298 14.0343 14.0289 14.0347 14.0297 14.0287 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 W As Ta Ta W 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 H 2.492738 2.308277 2.366283 2.359693 2.472919 2.488345 2.484503 2.374961 2.487856 2.355936 2.490039 2.463893 -1.087091 -1.032816 -1.087910 -1.097443 -1.063499 -1.008378 -0.993480 -1.006020 -0.886752 -1.024566 -1.027948 -1.017115 -1.032666 -1.006315 -1.027462 -0.854596 -1.014391 -1.040106 -1.014981 -1.046242 -1.011989 -1.036536 -1.076059 -0.928831 -0.724009 -1.053445 -1.013817 -1.029536 -0.932024 -0.965325 -1.059624 -1.079794 -0.956313 -0.941649 -0.960204 -1.066929 -0.965555 -1.076938 -0.935071 0.037981 1.920303 1.745206 1.839671 1.831504 1.904909 1.920983 1.913085 1.869522 1.942111 1.830363 1.918491 1.930390 -0.696976 -0.685518 -0.701844 -0.711081 -0.804229 -0.742645 -0.761208 -0.755295 -0.787727 -0.782826 -0.764435 -0.789343 -0.787091 -0.778011 -0.777584 -0.722069 -0.862998 -0.866703 -0.865856 -0.889910 -0.844799 -0.876790 -0.920993 -0.851066 -0.978073 -0.894148 -0.840555 -0.878812 -0.862368 -0.900583 -1.010139 -1.036124 -0.891550 -0.870531 -0.893199 -1.009918 -0.905364 -1.031993 -0.864201 0.328017 2.038658 1.679256 1.962307 1.958873 2.008708 2.036073 2.031956 1.975890 2.048149 1.958837 2.036653 2.028608 -0.779713 -0.759946 -0.783575 -0.792582 -0.909184 -0.828515 -0.826505 -0.844208 -0.792067 -0.866577 -0.865035 -0.857926 -0.868241 -0.880613 -0.865880 -0.785034 -0.893859 -0.905584 -0.891404 -0.931518 -0.878624 -0.923680 -0.957226 -0.830522 -0.955427 -0.936338 -0.888962 -0.904892 -0.819579 -0.873118 -0.984773 -1.007992 -0.856333 -0.836092 -0.853664 -0.991851 -0.887474 -1.003161 -0.828014 0.381720 9.14657847 -5.51643053 -4.06467055 11.42858041 -17.92017071 -14.02406941 8.74736400 12.93247151 14.10444371 4.98769920 -362.2834 416.1188 23.9564 -429.1470 -118.7247 -470.0798 Jun19-2024 22:06:22 Nodes: 1 Procs: 1 Jun19-2024 22:06:24 Nodes: 1 Procs: 1 0 Jun19-2024 22:06:27 Nodes: 1 Procs: 1 Jun19-2024 22:06:29 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun19-2024 22:06:32 Nodes: 1 Procs: 1 Jun19-2024 22:06:34 Nodes: 1 Procs: 1 Tantalum (TZP, 4d frozen) 0 Jun19-2024 22:06:40 Nodes: 1 Procs: 1 Jun19-2024 22:06:41 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun19-2024 22:06:44 Nodes: 1 Procs: 1 Jun19-2024 22:06:47 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun19-2024 22:06:57 Nodes: 1 Procs: 5 *** (NO TITLE) *** -10 -16.79263656 -17.11283403 -17.14029464 -17.02237771 -17.15100019 -17.22113522 -17.23944721 -17.24350626 -17.24822275 -17.24902074 -17.25278619 -17.25821992 -17.25972041 -17.26676612 -17.27035471 -17.27168401 -17.27273799 -17.27409482 -17.27456151 -17.27481993 -17.27502419 -17.27509468 -17.27511313 -17.27516062 -17.27511649 GEOMETRY CONVERGED