ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:54:31 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.51 0.06 3.35 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 Jun12-2024 13:54:31 Nodes: 1 Procs: 1 Jun12-2024 13:54:35 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:54:39 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.58 0.08 2.68 1 2 3 4 5 1 2 3 4 1 2 3 2.000 1.000 0.000 0.000 0.000 6.000 0.000 0.000 0.000 5.000 0.000 0.000 -64.342 -4.108 0.830 10.873 76.897 -38.592 -0.555 16.632 109.646 -3.733 3.575 29.703 S S S S S P P P P D D D S P S D P S D S P D S P 1 1 2 1 2 3 2 4 3 3 5 4 2.00 6.00 1.00 5.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -64.3424 -38.5925 -4.1076 -3.7334 -0.5546 0.8297 3.5751 10.8726 16.6324 29.7028 76.8968 109.6456 1 Mo -0.0000 3.0000 6.0000 5.0000 0.0000 Jun12-2024 13:54:31 Nodes: 1 Procs: 1 Jun12-2024 13:54:35 Nodes: 1 Procs: 1 0 Jun12-2024 13:54:39 Nodes: 1 Procs: 1 Jun12-2024 13:54:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:54:45 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.00 0.06 3.60 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 Jun12-2024 13:54:31 Nodes: 1 Procs: 1 Jun12-2024 13:54:35 Nodes: 1 Procs: 1 0 Jun12-2024 13:54:39 Nodes: 1 Procs: 1 Jun12-2024 13:54:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 13:54:45 Nodes: 1 Procs: 1 Jun12-2024 13:54:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:54:52 Arsenic (TZP, 3p frozen) c2-29 c2-29 c2-29 c2-29 c2-29 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.71 0.08 4.84 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 Jun12-2024 13:54:31 Nodes: 1 Procs: 1 Jun12-2024 13:54:35 Nodes: 1 Procs: 1 0 Jun12-2024 13:54:39 Nodes: 1 Procs: 1 Jun12-2024 13:54:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 13:54:45 Nodes: 1 Procs: 1 Jun12-2024 13:54:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 13:54:52 Nodes: 1 Procs: 1 Jun12-2024 13:54:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun12-2024 13:55:02 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 1930.0381999999972 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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.Mo ADF 2019.304 Jun12-2024 13:54:42 1 1 Molybdenum TZP 3d t21.As ADF 2019.304 Jun12-2024 13:54:35 1 1 Arsenic TZP 3p t21.W ADF 2019.304 Jun12-2024 13:54:55 1 1 Tungsten TZP 4d t21.O ADF 2019.304 Jun12-2024 13:54:49 1 1 Oxygen TZP 1s 1 1 -15.58792007 0.34418037 0.00100000 F 0.10046596 0.00066667 F 0.34418037 0.10046596 0.25446492 0.01000000 F 0.06076660 0.00666667 F Cartesian 1930.0381999999972 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-2.527426 -3.739356 2.524456 -2.814751 -3.893363 -2.255550 2.804879 -3.911968 -2.241399 -2.819483 -3.742414 2.537640 2.832096 3.735487 2.914111 2.543333 1 3 -3 0.121254 -0.015412 3.561937 Rho 0.1240649E+06 3,-3 2 3 -3 0.115610 -0.007604 -3.572263 Rho 0.1240649E+06 3,-3 3 3 -3 -0.114361 3.633043 0.014645 Rho 0.1240651E+06 3,-3 4 3 -3 2.539187 -1.840433 1.832871 Rho 0.1240649E+06 3,-3 5 3 -3 -2.535347 -2.095777 1.706004 Rho 0.1240649E+06 3,-3 6 3 -3 -2.548888 -2.064049 -1.730311 Rho 0.1240648E+06 3,-3 7 3 -3 -2.574455 1.837155 1.735264 Rho 0.1240649E+06 3,-3 8 3 -3 2.600603 1.753674 1.908380 Rho 0.1240650E+06 3,-3 9 3 -3 2.541978 -1.836353 -1.869226 Rho 0.1240648E+06 3,-3 10 3 -3 -0.076644 -0.121364 0.000637 Rho 0.4276088E+05 3,-3 11 3 -3 2.581091 1.738880 -1.871828 Rho 0.4361414E+07 3,-3 12 3 -3 -2.556926 1.848254 -1.705236 Rho 0.4361414E+07 3,-3 13 3 -3 0.967924 -0.092658 1.361941 Rho 0.3190391E+03 3,-3 14 3 -3 -1.069613 -1.498085 -0.001468 Rho 0.3190787E+03 3,-3 15 3 -3 0.965880 -0.080072 -1.364585 Rho 0.3190348E+03 3,-3 16 3 -3 -0.987761 1.339453 -0.001602 Rho 0.3190212E+03 3,-3 17 3 -3 -3.041359 0.096768 1.602998 Rho 0.3191825E+03 3,-3 18 3 -3 3.090463 -1.563993 0.001554 Rho 0.3189603E+03 3,-3 19 3 -3 -3.015461 0.086568 -1.581269 Rho 0.3190400E+03 3,-3 20 3 -3 3.064654 1.720942 0.001192 Rho 0.3189132E+03 3,-3 21 3 -3 1.401597 -3.099409 -1.479007 Rho 0.3194613E+03 3,-3 22 3 -3 1.148287 2.947942 1.302451 Rho 0.3190064E+03 3,-3 23 3 -3 -1.153225 -1.303287 -2.914572 Rho 0.3189696E+03 3,-3 24 3 -3 -1.124879 1.356988 2.928167 Rho 0.3190009E+03 3,-3 25 3 -3 -1.133030 1.344414 -2.934503 Rho 0.3189337E+03 3,-3 26 3 -3 -1.155851 -1.293795 2.890094 Rho 0.3189713E+03 3,-3 27 3 -3 1.142111 2.919918 -1.307434 Rho 0.3189407E+03 3,-3 28 3 -3 1.408511 -3.126800 1.507987 Rho 0.3194643E+03 3,-3 29 3 -3 3.452071 0.142418 2.172393 Rho 0.3191628E+03 3,-3 30 3 -3 -3.485471 -2.191950 0.000952 Rho 0.3190202E+03 3,-3 31 3 -3 3.443467 0.115294 -2.151750 Rho 0.3190440E+03 3,-3 32 3 -3 -3.413406 2.277806 -0.002921 Rho 0.3189883E+03 3,-3 33 3 -3 1.483182 1.399195 3.481911 Rho 0.3190530E+03 3,-3 34 3 -3 1.557875 -1.305527 -3.527190 Rho 0.3190502E+03 3,-3 35 3 -3 -1.477745 3.534773 1.338294 Rho 0.3190799E+03 3,-3 36 3 -3 -1.872182 -3.679416 -1.720990 Rho 0.3193936E+03 3,-3 37 3 -3 -1.855671 -3.706467 1.716338 Rho 0.3193986E+03 3,-3 38 3 -3 -1.473835 3.508227 -1.355789 Rho 0.3190147E+03 3,-3 39 3 -3 1.563239 -1.288476 3.518487 Rho 0.3190656E+03 3,-3 40 3 -3 1.496557 1.380088 -3.473270 Rho 0.3189936E+03 3,-3 41 3 -3 -0.223637 -0.009802 5.268868 Rho 0.3194045E+03 3,-3 42 3 -3 3.916683 -2.688152 -2.548212 Rho 0.3193471E+03 3,-3 43 3 -3 -0.216449 -0.002277 -5.281090 Rho 0.3194034E+03 3,-3 44 3 -3 0.256174 5.338319 -0.011644 Rho 0.3193681E+03 3,-3 45 3 -3 3.928654 -2.650901 2.534144 Rho 0.3193469E+03 3,-3 46 3 -3 3.729957 2.887485 -2.527426 Rho 0.3192523E+03 3,-3 47 3 -3 -3.739356 2.524456 -2.814751 Rho 0.3192383E+03 3,-3 48 3 -3 -3.893363 -2.255550 2.804879 Rho 0.3193571E+03 3,-3 49 3 -3 -3.911968 -2.241399 -2.819483 Rho 0.3193548E+03 3,-3 50 3 -3 -3.742414 2.537640 2.832096 Rho 0.3193634E+03 3,-3 51 3 -3 3.735487 2.914111 2.543333 Rho 0.3193821E+03 3,-3 52 3 +1 -2.185534 1.758291 0.162985 Rho 0.2675432E-01 |GRAD(Rho)| 0.1751245E-13 GRAD(Rho)x -0.1670472E-13 GRAD(Rho)y 0.4657177E-14 GRAD(Rho)z 0.2439023E-14 Laplacian 0.1048963E+00 (-1/4)Del**2(Rho)) -0.2622408E-01 Diamond 0.1484709E-01 Metallicity 0.1572206E+01 Ellipticity -0.3698863E+01 Gb(Abramov) 0.2435433E-01 Vb(Abramov) -0.2248458E-01 Hb(Abramov) 0.1869750E-02 Ex_ueg -0.5909857E-02 Ec_ueg -0.1177441E-02 Delta_ex -0.6622155E-02 Delta_ec 0.1741900E-02 Delta_et -0.1563878E-01 Pxc 0.5019239E+01 Qxc -0.3801684E+01 3,+1 53 3 +1 1.693681 -0.777576 -0.009090 Rho 0.8524020E-02 |GRAD(Rho)| 0.1517822E-12 GRAD(Rho)x 0.1201451E-12 GRAD(Rho)y -0.9122049E-13 GRAD(Rho)z -0.1678676E-13 Laplacian 0.3425914E-01 (-1/4)Del**2(Rho)) -0.8564786E-02 Diamond 0.8951965E-03 Metallicity 0.7154469E+00 Ellipticity -0.1397199E+01 Gb(Abramov) 0.6731132E-02 Vb(Abramov) -0.4897478E-02 Hb(Abramov) 0.1833654E-02 Ex_ueg -0.1286010E-02 Ec_ueg -0.3015818E-03 Delta_ex -0.1556747E-02 Delta_ec 0.4734519E-03 Delta_et -0.3235676E-02 Pxc 0.4264215E+01 Qxc -0.3288079E+01 3,+1 54 3 +1 -2.006754 2.921523 0.007039 Rho 0.1221225E-01 |GRAD(Rho)| 0.3774974E-16 GRAD(Rho)x 0.4531562E-17 GRAD(Rho)y -0.3666932E-16 GRAD(Rho)z -0.7737468E-17 Laplacian 0.5714681E-01 (-1/4)Del**2(Rho)) -0.1428670E-01 Diamond 0.1899747E-02 Metallicity 0.7809338E+00 Ellipticity -0.1143304E+01 Gb(Abramov) 0.1138396E-01 Vb(Abramov) -0.8481223E-02 Hb(Abramov) 0.2902739E-02 Ex_ueg -0.2077046E-02 Ec_ueg -0.4693762E-03 Delta_ex -0.2696179E-02 Delta_ec 0.5170367E-03 Delta_et -0.4064629E-02 Pxc 0.4425120E+01 Qxc -0.5214676E+01 3,+1 55 3 +1 -3.007979 -0.425162 0.015627 Rho 0.5279940E-02 |GRAD(Rho)| 0.1262559E-16 GRAD(Rho)x 0.3094307E-17 GRAD(Rho)y -0.1069049E-16 GRAD(Rho)z 0.5961891E-17 Laplacian 0.2143913E-01 (-1/4)Del**2(Rho)) -0.5359783E-02 Diamond 0.3504946E-03 Metallicity 0.5145816E+00 Ellipticity -0.1353991E+01 Gb(Abramov) 0.4032863E-02 Vb(Abramov) -0.2705943E-02 Hb(Abramov) 0.1326920E-02 Ex_ueg -0.6790322E-03 Ec_ueg -0.1589796E-03 Delta_ex -0.9153664E-03 Delta_ec 0.3860893E-03 Delta_et -0.2247457E-02 Pxc 0.4271191E+01 Qxc -0.2370867E+01 3,+1 56 3 +3 -1.142790 -0.016065 -1.589858 Rho 0.5323092E-02 |GRAD(Rho)| 0.4290820E-17 GRAD(Rho)x -0.3856763E-17 GRAD(Rho)y -0.9011508E-18 GRAD(Rho)z -0.1650589E-17 Laplacian 0.2069747E-01 (-1/4)Del**2(Rho)) -0.5174367E-02 Diamond 0.1556854E-03 Metallicity 0.5403012E+00 Ellipticity -0.3352323E+00 Gb(Abramov) 0.3915531E-02 Vb(Abramov) -0.2656694E-02 Hb(Abramov) 0.1258836E-02 Ex_ueg -0.6864418E-03 Ec_ueg -0.1608432E-03 Delta_ex -0.7261069E-03 Delta_ec 0.8842008E-04 Delta_et -0.7153717E-03 Pxc 0.4267771E+01 Qxc -0.8212013E+01 3,+3 57 3 +3 -1.172788 0.004437 1.574388 Rho 0.5248579E-02 |GRAD(Rho)| 0.1130789E-13 GRAD(Rho)x 0.1042625E-13 GRAD(Rho)y -0.1225417E-14 GRAD(Rho)z -0.4202391E-14 Laplacian 0.2035781E-01 (-1/4)Del**2(Rho)) -0.5089452E-02 Diamond 0.1512292E-03 Metallicity 0.5365602E+00 Ellipticity -0.3501288E+00 Gb(Abramov) 0.3848101E-02 Vb(Abramov) -0.2606750E-02 Hb(Abramov) 0.1241351E-02 Ex_ueg -0.6736599E-03 Ec_ueg -0.1576258E-03 Delta_ex -0.7122830E-03 Delta_ec 0.8857249E-04 Delta_et -0.7101858E-03 Pxc 0.4273792E+01 Qxc -0.8041808E+01 3,+3 58 3 +1 -0.592797 -0.844114 1.511675 Rho 0.9720474E-02 |GRAD(Rho)| 0.2109135E-16 GRAD(Rho)x 0.5874187E-17 GRAD(Rho)y 0.1912177E-17 GRAD(Rho)z -0.2016637E-16 Laplacian 0.3747129E-01 (-1/4)Del**2(Rho)) -0.9367822E-02 Diamond 0.1241130E-02 Metallicity 0.8141923E+00 Ellipticity -0.1580775E+01 Gb(Abramov) 0.7516416E-02 Vb(Abramov) -0.5665010E-02 Hb(Abramov) 0.1851406E-02 Ex_ueg -0.1532151E-02 Ec_ueg -0.3553880E-03 Delta_ex -0.1787479E-02 Delta_ec 0.5655574E-03 Delta_et -0.3958880E-02 Pxc 0.4311207E+01 Qxc -0.3160562E+01 3,+1 59 3 -1 -1.806990 -1.661298 2.315607 Rho 0.1172964E+00 |GRAD(Rho)| 0.1372737E-15 GRAD(Rho)x -0.7995991E-18 GRAD(Rho)y -0.7719519E-16 GRAD(Rho)z -0.1135092E-15 Laplacian 0.4804290E+00 (-1/4)Del**2(Rho)) -0.1201072E+00 Diamond 0.7225854E+00 Metallicity 0.4031421E+01 Ellipticity 0.1300634E-01 Gb(Abramov) 0.1607720E+00 Vb(Abramov) -0.2014367E+00 Hb(Abramov) -0.4066473E-01 Ex_ueg -0.4240637E-01 Ec_ueg -0.6384224E-02 Delta_ex -0.4858899E-01 Delta_ec 0.1288413E-01 Delta_et -0.1648649E+00 Pxc 0.6642368E+01 Qxc -0.3771229E+01 3,-1 60 3 -1 -1.776946 -1.737829 -0.851052 Rho 0.5006659E-01 |GRAD(Rho)| 0.1505938E-15 GRAD(Rho)x 0.1065864E-15 GRAD(Rho)y 0.6071236E-16 GRAD(Rho)z 0.8736044E-16 Laplacian 0.2033039E+00 (-1/4)Del**2(Rho)) -0.5082598E-01 Diamond 0.1068811E+00 Metallicity 0.2305229E+01 Ellipticity 0.1748667E-01 Gb(Abramov) 0.5341158E-01 Vb(Abramov) -0.5599718E-01 Hb(Abramov) -0.2585597E-02 Ex_ueg -0.1362853E-01 Ec_ueg -0.2418555E-02 Delta_ex -0.1689641E-01 Delta_ec 0.6336746E-02 Delta_et -0.6692270E-01 Pxc 0.5634989E+01 Qxc -0.2666418E+01 3,-1 61 3 -1 -2.778242 -0.937152 -1.648060 Rho 0.6900251E-01 |GRAD(Rho)| 0.2435761E-14 GRAD(Rho)x 0.1707369E-15 GRAD(Rho)y -0.2414908E-14 GRAD(Rho)z -0.2683287E-15 Laplacian 0.2926333E+00 (-1/4)Del**2(Rho)) -0.7315833E-01 Diamond 0.2323144E+00 Metallicity 0.2733574E+01 Ellipticity 0.6338484E-02 Gb(Abramov) 0.8210284E-01 Vb(Abramov) -0.9104735E-01 Hb(Abramov) -0.8944509E-02 Ex_ueg -0.2090282E-01 Ec_ueg -0.3489470E-02 Delta_ex -0.2621602E-01 Delta_ec 0.8820740E-02 Delta_et -0.1010169E+00 Pxc 0.5990257E+01 Qxc -0.2972089E+01 3,-1 62 3 -1 -2.784287 -0.947714 1.647375 Rho 0.6142747E-01 |GRAD(Rho)| 0.8065908E-16 GRAD(Rho)x 0.3688045E-16 GRAD(Rho)y -0.6840384E-16 GRAD(Rho)z 0.2160172E-16 Laplacian 0.2576644E+00 (-1/4)Del**2(Rho)) -0.6441609E-01 Diamond 0.1774395E+00 Metallicity 0.2557584E+01 Ellipticity 0.7293838E-02 Gb(Abramov) 0.7040232E-01 Vb(Abramov) -0.7638854E-01 Hb(Abramov) -0.5986226E-02 Ex_ueg -0.1790064E-01 Ec_ueg -0.3055652E-02 Delta_ex -0.2249800E-01 Delta_ec 0.7936991E-02 Delta_et -0.8836485E-01 Pxc 0.5858207E+01 Qxc -0.2834575E+01 3,-1 63 3 +1 -0.314724 -2.727426 -1.237301 Rho 0.2883904E-02 |GRAD(Rho)| 0.2421224E-14 GRAD(Rho)x -0.1455096E-14 GRAD(Rho)y -0.1918655E-14 GRAD(Rho)z 0.2525562E-15 Laplacian 0.1156314E-01 (-1/4)Del**2(Rho)) -0.2890785E-02 Diamond 0.9838683E-04 Metallicity 0.3482081E+00 Ellipticity -0.1311574E+01 Gb(Abramov) 0.2094956E-02 Vb(Abramov) -0.1299126E-02 Hb(Abramov) 0.7958292E-03 Ex_ueg -0.3031746E-03 Ec_ueg -0.5701704E-04 Delta_ex -0.4604148E-03 Delta_ec 0.2589574E-03 Delta_et -0.1234642E-02 Pxc 0.5317263E+01 Qxc -0.1777956E+01 3,+1 64 3 -1 -0.231266 -3.344648 -1.587924 Rho 0.3755023E-02 |GRAD(Rho)| 0.5405502E-17 GRAD(Rho)x 0.5359378E-17 GRAD(Rho)y 0.2936213E-18 GRAD(Rho)z 0.6405528E-18 Laplacian 0.1432900E-01 (-1/4)Del**2(Rho)) -0.3582251E-02 Diamond 0.3682301E-03 Metallicity 0.4362660E+00 Ellipticity 0.1801077E+00 Gb(Abramov) 0.2648637E-02 Vb(Abramov) -0.1715022E-02 Hb(Abramov) 0.9336147E-03 Ex_ueg -0.4310574E-03 Ec_ueg -0.9373617E-04 Delta_ex -0.8664207E-03 Delta_ec 0.7930653E-03 Delta_et -0.3809879E-02 Pxc 0.4598624E+01 Qxc -0.1092496E+01 3,-1 65 3 +1 -1.763152 0.021343 2.439151 Rho 0.1118325E-01 |GRAD(Rho)| 0.1135404E-16 GRAD(Rho)x 0.1096239E-16 GRAD(Rho)y -0.9754006E-18 GRAD(Rho)z 0.2790836E-17 Laplacian 0.5433530E-01 (-1/4)Del**2(Rho)) -0.1358383E-01 Diamond 0.2013739E-02 Metallicity 0.7092692E+00 Ellipticity -0.1286863E+01 Gb(Abramov) 0.1066165E-01 Vb(Abramov) -0.7739471E-02 Hb(Abramov) 0.2922177E-02 Ex_ueg -0.1847038E-02 Ec_ueg -0.4219974E-03 Delta_ex -0.2633509E-02 Delta_ec 0.7262598E-03 Delta_et -0.5335637E-02 Pxc 0.4376893E+01 Qxc -0.3626125E+01 3,+1 66 3 -1 -2.789059 0.899178 -1.636179 Rho 0.1907259E+00 |GRAD(Rho)| 0.9651253E-13 GRAD(Rho)x -0.7328516E-13 GRAD(Rho)y -0.2631792E-13 GRAD(Rho)z 0.5702037E-13 Laplacian 0.7757576E+00 (-1/4)Del**2(Rho)) -0.1939394E+00 Diamond 0.2067468E+01 Metallicity 0.5613539E+01 Ellipticity 0.1945352E-01 Gb(Abramov) 0.3107406E+00 Vb(Abramov) -0.4275419E+00 Hb(Abramov) -0.1168012E+00 Ex_ueg -0.8108329E-01 Ec_ueg -0.1109980E-01 Delta_ex -0.8823917E-01 Delta_ec 0.1810833E-01 Delta_et -0.2466611E+00 Pxc 0.7304930E+01 Qxc -0.4872848E+01 3,-1 67 3 -1 -2.808011 0.907573 1.661192 Rho 0.1872612E+00 |GRAD(Rho)| 0.6177660E-13 GRAD(Rho)x -0.5180955E-13 GRAD(Rho)y -0.2175105E-13 GRAD(Rho)z -0.2567121E-13 Laplacian 0.7527711E+00 (-1/4)Del**2(Rho)) -0.1881928E+00 Diamond 0.1947226E+01 Metallicity 0.5610866E+01 Ellipticity 0.2691617E-01 Gb(Abramov) 0.3014492E+00 Vb(Abramov) -0.4147057E+00 Hb(Abramov) -0.1132565E+00 Ex_ueg -0.7912531E-01 Ec_ueg -0.1087009E-01 Delta_ex -0.8511320E-01 Delta_ec 0.1745698E-01 Delta_et -0.2367544E+00 Pxc 0.7279179E+01 Qxc -0.4875598E+01 3,-1 68 3 +3 -2.370872 -0.147374 0.021587 Rho 0.4921281E-02 |GRAD(Rho)| 0.9517307E-16 GRAD(Rho)x 0.4171492E-16 GRAD(Rho)y 0.8075935E-16 GRAD(Rho)z 0.2820828E-16 Laplacian 0.1992792E-01 (-1/4)Del**2(Rho)) -0.4981981E-02 Diamond 0.1997319E-03 Metallicity 0.4923585E+00 Ellipticity -0.8084036E+00 Gb(Abramov) 0.3730141E-02 Vb(Abramov) -0.2478301E-02 Hb(Abramov) 0.1251840E-02 Ex_ueg -0.6182384E-03 Ec_ueg -0.1435268E-03 Delta_ex -0.7457531E-03 Delta_ec 0.1954128E-03 Delta_et -0.1231209E-02 Pxc 0.4307477E+01 Qxc -0.3816297E+01 3,+3 69 3 +1 -1.752790 0.005473 -2.444083 Rho 0.1134865E-01 |GRAD(Rho)| 0.2457694E-13 GRAD(Rho)x -0.9692339E-14 GRAD(Rho)y 0.2088619E-13 GRAD(Rho)z 0.8593687E-14 Laplacian 0.5536485E-01 (-1/4)Del**2(Rho)) -0.1384121E-01 Diamond 0.2084260E-02 Metallicity 0.7133223E+00 Ellipticity -0.1283900E+01 Gb(Abramov) 0.1087302E-01 Vb(Abramov) -0.7904820E-02 Hb(Abramov) 0.2968197E-02 Ex_ueg -0.1883550E-02 Ec_ueg -0.4295844E-03 Delta_ex -0.2690826E-02 Delta_ec 0.7348488E-03 Delta_et -0.5422425E-02 Pxc 0.4384587E+01 Qxc -0.3661741E+01 3,+1 70 3 +1 -0.194537 2.238690 -1.941720 Rho 0.5827153E-02 |GRAD(Rho)| 0.1354127E-15 GRAD(Rho)x 0.3217711E-16 GRAD(Rho)y 0.6536039E-16 GRAD(Rho)z -0.1141458E-15 Laplacian 0.2440411E-01 (-1/4)Del**2(Rho)) -0.6101028E-02 Diamond 0.6305816E-03 Metallicity 0.5328163E+00 Ellipticity -0.2164750E+01 Gb(Abramov) 0.4609140E-02 Vb(Abramov) -0.3117252E-02 Hb(Abramov) 0.1491888E-02 Ex_ueg -0.7744504E-03 Ec_ueg -0.1826804E-03 Delta_ex -0.1198179E-02 Delta_ec 0.6756822E-03 Delta_et -0.3878651E-02 Pxc 0.4239373E+01 Qxc -0.1773288E+01 3,+1 71 3 -1 -1.750073 1.559493 0.851070 Rho 0.4403844E-01 |GRAD(Rho)| 0.6451677E-13 GRAD(Rho)x -0.7138739E-14 GRAD(Rho)y 0.5809422E-13 GRAD(Rho)z 0.2713880E-13 Laplacian 0.1795178E+00 (-1/4)Del**2(Rho)) -0.4487945E-01 Diamond 0.7823711E-01 Metallicity 0.2108105E+01 Ellipticity 0.1197092E-01 Gb(Abramov) 0.4568807E-01 Vb(Abramov) -0.4649668E-01 Hb(Abramov) -0.8086125E-03 Ex_ueg -0.1148579E-01 Ec_ueg -0.2088092E-02 Delta_ex -0.1439857E-01 Delta_ec 0.5505251E-02 Delta_et -0.5616843E-01 Pxc 0.5500616E+01 Qxc -0.2615425E+01 3,-1 72 3 +1 -1.722386 -0.080774 0.756903 Rho 0.8832463E-02 |GRAD(Rho)| 0.1771151E-16 GRAD(Rho)x -0.8254535E-17 GRAD(Rho)y 0.4644936E-17 GRAD(Rho)z 0.1496613E-16 Laplacian 0.3359153E-01 (-1/4)Del**2(Rho)) -0.8397882E-02 Diamond 0.9974132E-03 Metallicity 0.7741999E+00 Ellipticity -0.1580585E+01 Gb(Abramov) 0.6682195E-02 Vb(Abramov) -0.4966507E-02 Hb(Abramov) 0.1715688E-02 Ex_ueg -0.1348427E-02 Ec_ueg -0.3153931E-03 Delta_ex -0.1573342E-02 Delta_ec 0.5232879E-03 Delta_et -0.3560475E-02 Pxc 0.4275386E+01 Qxc -0.3006647E+01 3,+1 73 3 +1 -0.267495 -2.619357 -1.841148 Rho 0.2823456E-02 |GRAD(Rho)| 0.1064696E-11 GRAD(Rho)x -0.8755813E-12 GRAD(Rho)y -0.6028119E-12 GRAD(Rho)z 0.5960644E-13 Laplacian 0.1125809E-01 (-1/4)Del**2(Rho)) -0.2814523E-02 Diamond 0.1019290E-03 Metallicity 0.3452364E+00 Ellipticity -0.1378893E+01 Gb(Abramov) 0.2038295E-02 Vb(Abramov) -0.1262066E-02 Hb(Abramov) 0.7762284E-03 Ex_ueg -0.2947314E-03 Ec_ueg -0.5448440E-04 Delta_ex -0.4639360E-03 Delta_ec 0.2834652E-03 Delta_et -0.1324830E-02 Pxc 0.5409463E+01 Qxc -0.1636659E+01 3,+1 74 3 -1 -1.811862 -1.650476 -2.340053 Rho 0.1187971E+00 |GRAD(Rho)| 0.1063520E-15 GRAD(Rho)x -0.3247863E-16 GRAD(Rho)y -0.5949559E-16 GRAD(Rho)z -0.8195213E-16 Laplacian 0.4849097E+00 (-1/4)Del**2(Rho)) -0.1212274E+00 Diamond 0.7404220E+00 Metallicity 0.4079704E+01 Ellipticity 0.1432019E-01 Gb(Abramov) 0.1632469E+00 Vb(Abramov) -0.2052665E+00 Hb(Abramov) -0.4201953E-01 Ex_ueg -0.4313133E-01 Ec_ueg -0.6477157E-02 Delta_ex -0.4918896E-01 Delta_ec 0.1296247E-01 Delta_et -0.1662331E+00 Pxc 0.6658990E+01 Qxc -0.3794721E+01 3,-1 75 3 +1 -2.250482 -1.836408 -0.133358 Rho 0.2977722E-01 |GRAD(Rho)| 0.1079745E-15 GRAD(Rho)x 0.1062246E-15 GRAD(Rho)y 0.1849991E-16 GRAD(Rho)z -0.5707480E-17 Laplacian 0.1240018E+00 (-1/4)Del**2(Rho)) -0.3100045E-01 Diamond 0.2235462E-01 Metallicity 0.1589737E+01 Ellipticity -0.7519608E+01 Gb(Abramov) 0.2888073E-01 Vb(Abramov) -0.2676101E-01 Hb(Abramov) 0.2119721E-02 Ex_ueg -0.6816539E-02 Ec_ueg -0.1332122E-02 Delta_ex -0.8230967E-02 Delta_ec 0.2368229E-02 Delta_et -0.2177907E-01 Pxc 0.5117054E+01 Qxc -0.3475578E+01 3,+1 76 3 -1 -1.769726 -1.752159 0.838218 Rho 0.5200084E-01 |GRAD(Rho)| 0.2179710E-13 GRAD(Rho)x 0.4150794E-14 GRAD(Rho)y 0.1812705E-13 GRAD(Rho)z -0.1137078E-13 Laplacian 0.2115574E+00 (-1/4)Del**2(Rho)) -0.5288935E-01 Diamond 0.1167192E+00 Metallicity 0.2359765E+01 Ellipticity 0.1754259E-01 Gb(Abramov) 0.5606064E-01 Vb(Abramov) -0.5923194E-01 Hb(Abramov) -0.3171291E-02 Ex_ueg -0.1433504E-01 Ec_ueg -0.2525768E-02 Delta_ex -0.1773417E-01 Delta_ec 0.6564550E-02 Delta_et -0.7001625E-01 Pxc 0.5675517E+01 Qxc -0.2701505E+01 3,-1 77 3 +1 -1.702808 -0.085382 -0.743449 Rho 0.9409707E-02 |GRAD(Rho)| 0.1427651E-13 GRAD(Rho)x 0.6363470E-14 GRAD(Rho)y 0.1213236E-13 GRAD(Rho)z 0.4016322E-14 Laplacian 0.3589189E-01 (-1/4)Del**2(Rho)) -0.8972971E-02 Diamond 0.1141007E-02 Metallicity 0.8052122E+00 Ellipticity -0.1583890E+01 Gb(Abramov) 0.7186172E-02 Vb(Abramov) -0.5399373E-02 Hb(Abramov) 0.1786799E-02 Ex_ueg -0.1467191E-02 Ec_ueg -0.3413527E-03 Delta_ex -0.1699632E-02 Delta_ec 0.5443675E-03 Delta_et -0.3776550E-02 Pxc 0.4298166E+01 Qxc -0.3122214E+01 3,+1 78 3 -1 -1.795243 1.570896 -2.347730 Rho 0.1379842E+00 |GRAD(Rho)| 0.4704836E-15 GRAD(Rho)x 0.3375121E-15 GRAD(Rho)y -0.3275985E-15 GRAD(Rho)z 0.1093689E-16 Laplacian 0.5701969E+00 (-1/4)Del**2(Rho)) -0.1425492E+00 Diamond 0.1050587E+01 Metallicity 0.4452839E+01 Ellipticity 0.1098818E-01 Gb(Abramov) 0.2008243E+00 Vb(Abramov) -0.2590993E+00 Hb(Abramov) -0.5827505E-01 Ex_ueg -0.5266119E-01 Ec_ueg -0.7678821E-02 Delta_ex -0.6005623E-01 Delta_ec 0.1487320E-01 Delta_et -0.1958076E+00 Pxc 0.6857978E+01 Qxc -0.4037882E+01 3,-1 79 3 +3 0.052446 1.572826 1.597239 Rho 0.4478869E-02 |GRAD(Rho)| 0.6381739E-17 GRAD(Rho)x 0.3169018E-17 GRAD(Rho)y -0.3246250E-17 GRAD(Rho)z -0.4488404E-17 Laplacian 0.1827379E-01 (-1/4)Del**2(Rho)) -0.4568447E-02 Diamond 0.1411367E-03 Metallicity 0.4589146E+00 Ellipticity -0.3470521E+00 Gb(Abramov) 0.3395052E-02 Vb(Abramov) -0.2221658E-02 Hb(Abramov) 0.1173395E-02 Ex_ueg -0.5452674E-03 Ec_ueg -0.1245558E-03 Delta_ex -0.6461462E-03 Delta_ec 0.1407205E-03 Delta_et -0.9169760E-03 Pxc 0.4377696E+01 Qxc -0.4591701E+01 3,+3 80 3 -1 -1.737171 1.562317 -0.835851 Rho 0.4991470E-01 |GRAD(Rho)| 0.8649285E-16 GRAD(Rho)x 0.7960331E-16 GRAD(Rho)y -0.7172040E-17 GRAD(Rho)z 0.3305885E-16 Laplacian 0.1986298E+00 (-1/4)Del**2(Rho)) -0.4965745E-01 Diamond 0.9967145E-01 Metallicity 0.2347557E+01 Ellipticity 0.1865822E-01 Gb(Abramov) 0.5253392E-01 Vb(Abramov) -0.5541039E-01 Hb(Abramov) -0.2876467E-02 Ex_ueg -0.1357343E-01 Ec_ueg -0.2410159E-02 Delta_ex -0.1630873E-01 Delta_ec 0.5857836E-02 Delta_et -0.6172502E-01 Pxc 0.5631757E+01 Qxc -0.2784088E+01 3,-1 81 3 -1 -1.804223 1.572749 2.352457 Rho 0.1335013E+00 |GRAD(Rho)| 0.3849155E-15 GRAD(Rho)x -0.2929514E-15 GRAD(Rho)y 0.1323879E-15 GRAD(Rho)z -0.2116905E-15 Laplacian 0.5457786E+00 (-1/4)Del**2(Rho)) -0.1364446E+00 Diamond 0.9541668E+00 Metallicity 0.4402905E+01 Ellipticity 0.1335351E-01 Gb(Abramov) 0.1910886E+00 Vb(Abramov) -0.2457325E+00 Hb(Abramov) -0.5464393E-01 Ex_ueg -0.5039250E-01 Ec_ueg -0.7395882E-02 Delta_ex -0.5688324E-01 Delta_ec 0.1409422E-01 Delta_et -0.1840986E+00 Pxc 0.6813589E+01 Qxc -0.4035928E+01 3,-1 82 3 +1 -1.092009 2.476049 -0.574700 Rho 0.2595804E-01 |GRAD(Rho)| 0.3661174E-16 GRAD(Rho)x -0.8121907E-17 GRAD(Rho)y 0.1729809E-16 GRAD(Rho)z -0.3122867E-16 Laplacian 0.1029679E+00 (-1/4)Del**2(Rho)) -0.2574197E-01 Diamond 0.1446889E-01 Metallicity 0.1522993E+01 Ellipticity -0.4081952E+01 Gb(Abramov) 0.2369545E-01 Vb(Abramov) -0.2164894E-01 Hb(Abramov) 0.2046516E-02 Ex_ueg -0.5676504E-02 Ec_ueg -0.1137070E-02 Delta_ex -0.6498332E-02 Delta_ec 0.1800064E-02 Delta_et -0.1602508E-01 Pxc 0.4992220E+01 Qxc -0.3610055E+01 3,+1 83 3 +1 -1.300795 2.351602 0.724747 Rho 0.2485331E-01 |GRAD(Rho)| 0.3917289E-16 GRAD(Rho)x 0.2918708E-16 GRAD(Rho)y -0.2506688E-16 GRAD(Rho)z -0.7367557E-17 Laplacian 0.9865888E-01 (-1/4)Del**2(Rho)) -0.2466472E-01 Diamond 0.1389613E-01 Metallicity 0.1478373E+01 Ellipticity -0.6037826E+01 Gb(Abramov) 0.2252042E-01 Vb(Abramov) -0.2037613E-01 Hb(Abramov) 0.2144295E-02 Ex_ueg -0.5356702E-02 Ec_ueg -0.1081332E-02 Delta_ex -0.6246464E-02 Delta_ec 0.1888506E-02 Delta_et -0.1659561E-01 Pxc 0.4953801E+01 Qxc -0.3307621E+01 3,+1 84 3 +1 0.509164 1.499329 -0.829439 Rho 0.7747547E-02 |GRAD(Rho)| 0.1967143E-13 GRAD(Rho)x 0.1032559E-14 GRAD(Rho)y 0.1165658E-13 GRAD(Rho)z 0.1581212E-13 Laplacian 0.3062673E-01 (-1/4)Del**2(Rho)) -0.7656681E-02 Diamond 0.7261066E-03 Metallicity 0.6825267E+00 Ellipticity -0.1413268E+01 Gb(Abramov) 0.5975436E-02 Vb(Abramov) -0.4294190E-02 Hb(Abramov) 0.1681246E-02 Ex_ueg -0.1132237E-02 Ec_ueg -0.2670019E-03 Delta_ex -0.1370657E-02 Delta_ec 0.4449373E-03 Delta_et -0.2948628E-02 Pxc 0.4240557E+01 Qxc -0.3080561E+01 3,+1 85 3 +1 -0.532760 0.754525 1.558480 Rho 0.8478393E-02 |GRAD(Rho)| 0.3166304E-16 GRAD(Rho)x 0.1636085E-16 GRAD(Rho)y 0.2690281E-16 GRAD(Rho)z -0.3333147E-17 Laplacian 0.3281930E-01 (-1/4)Del**2(Rho)) -0.8204826E-02 Diamond 0.8577967E-03 Metallicity 0.7401840E+00 Ellipticity -0.1441893E+01 Gb(Abramov) 0.6482064E-02 Vb(Abramov) -0.4759302E-02 Hb(Abramov) 0.1722762E-02 Ex_ueg -0.1276840E-02 Ec_ueg -0.2995424E-03 Delta_ex -0.1492264E-02 Delta_ec 0.4588617E-03 Delta_et -0.3127246E-02 Pxc 0.4262635E+01 Qxc -0.3252100E+01 3,+1 86 3 -1 -1.972600 2.715241 -1.508559 Rho 0.1205236E+00 |GRAD(Rho)| 0.4106034E-15 GRAD(Rho)x -0.2199169E-15 GRAD(Rho)y -0.3292722E-15 GRAD(Rho)z -0.1086811E-15 Laplacian 0.4786597E+00 (-1/4)Del**2(Rho)) -0.1196649E+00 Diamond 0.7441947E+00 Metallicity 0.4233565E+01 Ellipticity 0.2466144E-01 Gb(Abramov) 0.1642115E+00 Vb(Abramov) -0.2087581E+00 Hb(Abramov) -0.4454657E-01 Ex_ueg -0.4396911E-01 Ec_ueg -0.6584263E-02 Delta_ex -0.4872941E-01 Delta_ec 0.1276481E-01 Delta_et -0.1641303E+00 Pxc 0.6677909E+01 Qxc -0.3817479E+01 3,-1 87 3 +3 -1.880662 2.725169 0.012935 Rho 0.1205631E-01 |GRAD(Rho)| 0.1274080E-16 GRAD(Rho)x 0.1525201E-17 GRAD(Rho)y 0.1238331E-16 GRAD(Rho)z 0.2579781E-17 Laplacian 0.5531782E-01 (-1/4)Del**2(Rho)) -0.1382946E-01 Diamond 0.1272788E-02 Metallicity 0.7896572E+00 Ellipticity -0.7505809E+00 Gb(Abramov) 0.1103973E-01 Vb(Abramov) -0.8249995E-02 Hb(Abramov) 0.2789730E-02 Ex_ueg -0.2041757E-02 Ec_ueg -0.4621690E-03 Delta_ex -0.2447334E-02 Delta_ec 0.2267845E-03 Delta_et -0.2079015E-02 Pxc 0.4417773E+01 Qxc -0.1079145E+02 3,+3 88 3 -1 -1.987121 2.714933 1.513817 Rho 0.1017017E+00 |GRAD(Rho)| 0.2036138E-13 GRAD(Rho)x -0.1268418E-13 GRAD(Rho)y -0.1467995E-13 GRAD(Rho)z 0.6180325E-14 Laplacian 0.4009060E+00 (-1/4)Del**2(Rho)) -0.1002265E+00 Diamond 0.5034896E+00 Metallicity 0.3808769E+01 Ellipticity 0.2316466E-01 Gb(Abramov) 0.1304409E+00 Vb(Abramov) -0.1606554E+00 Hb(Abramov) -0.3021443E-01 Ex_ueg -0.3506089E-01 Ec_ueg -0.5428253E-02 Delta_ex -0.3913340E-01 Delta_ec 0.1097701E-01 Delta_et -0.1366100E+00 Pxc 0.6458964E+01 Qxc -0.3565034E+01 3,-1 89 3 -1 -2.185192 -2.925184 -1.723981 Rho 0.2188244E+00 |GRAD(Rho)| 0.9751073E-14 GRAD(Rho)x 0.1190779E-14 GRAD(Rho)y -0.9655959E-14 GRAD(Rho)z 0.6541661E-15 Laplacian 0.8378806E+00 (-1/4)Del**2(Rho)) -0.2094701E+00 Diamond 0.2625144E+01 Metallicity 0.6535174E+01 Ellipticity 0.1283798E-01 Gb(Abramov) 0.3678007E+00 Vb(Abramov) -0.5261313E+00 Hb(Abramov) -0.1583306E+00 Ex_ueg -0.9738961E-01 Ec_ueg -0.1298760E-01 Delta_ex -0.9867303E-01 Delta_ec 0.1872757E-01 Delta_et -0.2571897E+00 Pxc 0.7498662E+01 Qxc -0.5268866E+01 3,-1 90 3 -1 -2.170480 -2.954991 1.710842 Rho 0.2206598E+00 |GRAD(Rho)| 0.1920616E-10 GRAD(Rho)x 0.7525943E-11 GRAD(Rho)y -0.1767007E-10 GRAD(Rho)z 0.7105472E-13 Laplacian 0.8357073E+00 (-1/4)Del**2(Rho)) -0.2089268E+00 Diamond 0.2651537E+01 Metallicity 0.6644021E+01 Ellipticity 0.1048050E-01 Gb(Abramov) 0.3706369E+00 Vb(Abramov) -0.5323470E+00 Hb(Abramov) -0.1617101E+00 Ex_ueg -0.9848030E-01 Ec_ueg -0.1311244E-01 Delta_ex -0.9867064E-01 Delta_ec 0.1870614E-01 Delta_et -0.2572936E+00 Pxc 0.7510450E+01 Qxc -0.5274774E+01 3,-1 91 3 +1 -0.531570 0.751551 -1.563414 Rho 0.8584611E-02 |GRAD(Rho)| 0.1399505E-16 GRAD(Rho)x -0.3957950E-17 GRAD(Rho)y 0.6994997E-17 GRAD(Rho)z -0.1145715E-16 Laplacian 0.3338252E-01 (-1/4)Del**2(Rho)) -0.8345629E-02 Diamond 0.8772631E-03 Metallicity 0.7429538E+00 Ellipticity -0.1429217E+01 Gb(Abramov) 0.6597156E-02 Vb(Abramov) -0.4848682E-02 Hb(Abramov) 0.1748474E-02 Ex_ueg -0.1298213E-02 Ec_ueg -0.3042916E-03 Delta_ex -0.1518066E-02 Delta_ec 0.4585228E-03 Delta_et -0.3141664E-02 Pxc 0.4266344E+01 Qxc -0.3310775E+01 3,+1 92 3 +3 -0.281544 -2.480109 -1.567488 Rho 0.2762488E-02 |GRAD(Rho)| 0.1161809E-15 GRAD(Rho)x -0.1132565E-15 GRAD(Rho)y 0.2573342E-16 GRAD(Rho)z -0.2959298E-17 Laplacian 0.1112710E-01 (-1/4)Del**2(Rho)) -0.2781776E-02 Diamond 0.7715922E-04 Metallicity 0.3368203E+00 Ellipticity -0.8626403E-01 Gb(Abramov) 0.2010677E-02 Vb(Abramov) -0.1239578E-02 Hb(Abramov) 0.7710989E-03 Ex_ueg -0.2862764E-03 Ec_ueg -0.5193204E-04 Delta_ex -0.4142817E-03 Delta_ec 0.2045550E-03 Delta_et -0.9890719E-03 Pxc 0.5512519E+01 Qxc -0.2025282E+01 3,+3 93 3 +1 -0.257850 -2.630364 1.856444 Rho 0.2824925E-02 |GRAD(Rho)| 0.2714666E-17 GRAD(Rho)x -0.2548689E-17 GRAD(Rho)y -0.3295183E-18 GRAD(Rho)z 0.8746506E-18 Laplacian 0.1124235E-01 (-1/4)Del**2(Rho)) -0.2810587E-02 Diamond 0.1028175E-03 Metallicity 0.3460199E+00 Ellipticity -0.1404190E+01 Gb(Abramov) 0.2035811E-02 Vb(Abramov) -0.1261035E-02 Hb(Abramov) 0.7747758E-03 Ex_ueg -0.2949359E-03 Ec_ueg -0.5454594E-04 Delta_ex -0.4652416E-03 Delta_ec 0.2864760E-03 Delta_et -0.1337340E-02 Pxc 0.5407110E+01 Qxc -0.1624016E+01 3,+1 94 3 -1 -3.277307 -2.157184 -2.310753 Rho 0.2179219E+00 |GRAD(Rho)| 0.9038705E-14 GRAD(Rho)x 0.7377996E-14 GRAD(Rho)y -0.2328561E-14 GRAD(Rho)z -0.4673453E-14 Laplacian 0.8062149E+00 (-1/4)Del**2(Rho)) -0.2015537E+00 Diamond 0.2541661E+01 Metallicity 0.6745238E+01 Ellipticity 0.1893951E-01 Gb(Abramov) 0.3609571E+00 Vb(Abramov) -0.5203605E+00 Hb(Abramov) -0.1594034E+00 Ex_ueg -0.9685447E-01 Ec_ueg -0.1292629E-01 Delta_ex -0.9501340E-01 Delta_ec 0.1834652E-01 Delta_et -0.2531113E+00 Pxc 0.7492829E+01 Qxc -0.5178825E+01 3,-1 95 3 +1 -0.593695 -0.844347 -1.524547 Rho 0.9359142E-02 |GRAD(Rho)| 0.3705081E-16 GRAD(Rho)x -0.1815463E-17 GRAD(Rho)y -0.8482195E-17 GRAD(Rho)z -0.3602110E-16 Laplacian 0.3597931E-01 (-1/4)Del**2(Rho)) -0.8994828E-02 Diamond 0.1135348E-02 Metallicity 0.7960744E+00 Ellipticity -0.1568821E+01 Gb(Abramov) 0.7189978E-02 Vb(Abramov) -0.5385127E-02 Hb(Abramov) 0.1804851E-02 Ex_ueg -0.1456688E-02 Ec_ueg -0.3390729E-03 Delta_ex -0.1701434E-02 Delta_ec 0.5456443E-03 Delta_et -0.3780132E-02 Pxc 0.4296090E+01 Qxc -0.3118211E+01 3,+1 96 3 +1 1.714095 0.730426 0.014167 Rho 0.6739118E-02 |GRAD(Rho)| 0.3131238E-14 GRAD(Rho)x -0.1507142E-14 GRAD(Rho)y -0.1465139E-14 GRAD(Rho)z -0.2320893E-14 Laplacian 0.2622251E-01 (-1/4)Del**2(Rho)) -0.6555628E-02 Diamond 0.5221507E-03 Metallicity 0.6318450E+00 Ellipticity -0.1391975E+01 Gb(Abramov) 0.5060776E-02 Vb(Abramov) -0.3565923E-02 Hb(Abramov) 0.1494853E-02 Ex_ueg -0.9401326E-03 Ec_ueg -0.2225051E-03 Delta_ex -0.1138579E-02 Delta_ec 0.3896254E-03 Delta_et -0.2482180E-02 Pxc 0.4225218E+01 Qxc -0.2922241E+01 3,+1 97 3 +1 -0.200332 2.261632 1.930520 Rho 0.5708519E-02 |GRAD(Rho)| 0.1122258E-13 GRAD(Rho)x 0.5464058E-14 GRAD(Rho)y 0.6891677E-14 GRAD(Rho)z -0.6971015E-14 Laplacian 0.2387447E-01 (-1/4)Del**2(Rho)) -0.5968617E-02 Diamond 0.5998171E-03 Metallicity 0.5262821E+00 Ellipticity -0.2124693E+01 Gb(Abramov) 0.4502608E-02 Vb(Abramov) -0.3036598E-02 Hb(Abramov) 0.1466010E-02 Ex_ueg -0.7534996E-03 Ec_ueg -0.1775296E-03 Delta_ex -0.1167053E-02 Delta_ec 0.6607083E-03 Delta_et -0.3769881E-02 Pxc 0.4244361E+01 Qxc -0.1766367E+01 3,+1 98 3 +1 -0.299176 -2.714923 1.243305 Rho 0.2835341E-02 |GRAD(Rho)| 0.7646950E-16 GRAD(Rho)x -0.3929120E-16 GRAD(Rho)y 0.1215963E-18 GRAD(Rho)z 0.6560313E-16 Laplacian 0.1137856E-01 (-1/4)Del**2(Rho)) -0.2844641E-02 Diamond 0.9426099E-04 Metallicity 0.3439810E+00 Ellipticity -0.1293160E+01 Gb(Abramov) 0.2059511E-02 Vb(Abramov) -0.1274381E-02 Hb(Abramov) 0.7851299E-03 Ex_ueg -0.2963867E-03 Ec_ueg -0.5498220E-04 Delta_ex -0.4507980E-03 Delta_ec 0.2535053E-03 Delta_et -0.1203411E-02 Pxc 0.5390595E+01 Qxc -0.1778259E+01 3,+1 99 3 +3 -0.269364 -2.483370 1.545437 Rho 0.2741877E-02 |GRAD(Rho)| 0.9507361E-11 GRAD(Rho)x 0.8847186E-11 GRAD(Rho)y -0.3474901E-11 GRAD(Rho)z -0.2056110E-12 Laplacian 0.1102984E-01 (-1/4)Del**2(Rho)) -0.2757460E-02 Diamond 0.7566037E-04 Metallicity 0.3355757E+00 Ellipticity -0.1951318E+00 Gb(Abramov) 0.1992530E-02 Vb(Abramov) -0.1227599E-02 Hb(Abramov) 0.7649306E-03 Ex_ueg -0.2834320E-03 Ec_ueg -0.5106965E-04 Delta_ex -0.4098937E-03 Delta_ec 0.2025499E-03 Delta_et -0.9774331E-03 Pxc 0.5549912E+01 Qxc -0.2023668E+01 3,+3 100 3 +3 0.029338 1.569228 -1.602367 Rho 0.4628955E-02 |GRAD(Rho)| 0.5878452E-12 GRAD(Rho)x 0.5732797E-12 GRAD(Rho)y 0.1292185E-12 GRAD(Rho)z -0.1466081E-13 Laplacian 0.1905473E-01 (-1/4)Del**2(Rho)) -0.4763683E-02 Diamond 0.1542082E-03 Metallicity 0.4649597E+00 Ellipticity -0.3165656E+00 Gb(Abramov) 0.3544942E-02 Vb(Abramov) -0.2326201E-02 Hb(Abramov) 0.1218741E-02 Ex_ueg -0.5697649E-03 Ec_ueg -0.1309803E-03 Delta_ex -0.6798953E-03 Delta_ec 0.1472745E-03 Delta_et -0.9659676E-03 Pxc 0.4350003E+01 Qxc -0.4616516E+01 3,+3 101 3 -1 0.011286 2.086637 -2.085584 Rho 0.5920817E-02 |GRAD(Rho)| 0.9525035E-17 GRAD(Rho)x -0.5341626E-17 GRAD(Rho)y -0.5534283E-17 GRAD(Rho)z -0.5618278E-17 Laplacian 0.2379711E-01 (-1/4)Del**2(Rho)) -0.5949278E-02 Diamond 0.8174357E-03 Metallicity 0.5611233E+00 Ellipticity 0.1926141E+01 Gb(Abramov) 0.4522565E-02 Vb(Abramov) -0.3095852E-02 Hb(Abramov) 0.1426713E-02 Ex_ueg -0.7910924E-03 Ec_ueg -0.1867520E-03 Delta_ex -0.1312448E-02 Delta_ec 0.9092330E-03 Delta_et -0.5131383E-02 Pxc 0.4236058E+01 Qxc -0.1443467E+01 3,-1 102 3 -1 -0.555810 -0.681305 -3.208965 Rho 0.1352427E+00 |GRAD(Rho)| 0.5187529E-13 GRAD(Rho)x -0.7696656E-14 GRAD(Rho)y -0.1796442E-13 GRAD(Rho)z 0.4805296E-13 Laplacian 0.5694829E+00 (-1/4)Del**2(Rho)) -0.1423707E+00 Diamond 0.9970523E+00 Metallicity 0.4311771E+01 Ellipticity 0.2766751E-01 Gb(Abramov) 0.1972255E+00 Vb(Abramov) -0.2520803E+00 Hb(Abramov) -0.5485476E-01 Ex_ueg -0.5127083E-01 Ec_ueg -0.7505638E-02 Delta_ex -0.5937866E-01 Delta_ec 0.1437077E-01 Delta_et -0.1875087E+00 Pxc 0.6830975E+01 Qxc -0.4131906E+01 3,-1 103 3 -1 -0.560486 -0.783410 -0.000190 Rho 0.1862595E+00 |GRAD(Rho)| 0.1531766E-14 GRAD(Rho)x -0.1037365E-14 GRAD(Rho)y -0.1110223E-14 GRAD(Rho)z 0.1938757E-15 Laplacian 0.4948060E+00 (-1/4)Del**2(Rho)) -0.1237015E+00 Diamond 0.1307714E+01 Metallicity 0.8460101E+01 Ellipticity 0.2567734E-01 Gb(Abramov) 0.2568889E+00 Vb(Abramov) -0.3900762E+00 Hb(Abramov) -0.1331874E+00 Ex_ueg -0.7856147E-01 Ec_ueg -0.1080380E-01 Delta_ex -0.5613839E-01 Delta_ec 0.1197107E-01 Delta_et -0.1638283E+00 Pxc 0.7271652E+01 Qxc -0.4689503E+01 3,-1 104 3 -1 -0.554016 -0.680596 3.191474 Rho 0.1355457E+00 |GRAD(Rho)| 0.1020526E-12 GRAD(Rho)x 0.1655352E-13 GRAD(Rho)y -0.1005242E-12 GRAD(Rho)z 0.5965572E-14 Laplacian 0.5718513E+00 (-1/4)Del**2(Rho)) -0.1429628E+00 Diamond 0.1004747E+01 Metallicity 0.4309955E+01 Ellipticity 0.2560092E-01 Gb(Abramov) 0.1980024E+00 Vb(Abramov) -0.2530421E+00 Hb(Abramov) -0.5503962E-01 Ex_ueg -0.5142400E-01 Ec_ueg -0.7524751E-02 Delta_ex -0.5966790E-01 Delta_ec 0.1444000E-01 Delta_et -0.1885105E+00 Pxc 0.6833981E+01 Qxc -0.4132126E+01 3,-1 105 3 -1 -0.836192 3.560347 0.710651 Rho 0.1497476E+00 |GRAD(Rho)| 0.2318317E-15 GRAD(Rho)x -0.1425726E-15 GRAD(Rho)y 0.6490813E-16 GRAD(Rho)z 0.1708974E-15 Laplacian 0.5800768E+00 (-1/4)Del**2(Rho)) -0.1450192E+00 Diamond 0.1162686E+01 Metallicity 0.5016422E+01 Ellipticity 0.5761332E-01 Gb(Abramov) 0.2179257E+00 Vb(Abramov) -0.2908322E+00 Hb(Abramov) -0.7290651E-01 Ex_ueg -0.5873065E-01 Ec_ueg -0.8427358E-02 Delta_ex -0.6216452E-01 Delta_ec 0.1453752E-01 Delta_et -0.1930485E+00 Pxc 0.6969047E+01 Qxc -0.4276144E+01 3,-1 106 3 -1 -0.831898 3.545335 -0.705289 Rho 0.1382695E+00 |GRAD(Rho)| 0.3891190E-15 GRAD(Rho)x -0.3596434E-15 GRAD(Rho)y 0.9991601E-17 GRAD(Rho)z -0.1482240E-15 Laplacian 0.5366930E+00 (-1/4)Del**2(Rho)) -0.1341732E+00 Diamond 0.9773888E+00 Metallicity 0.4747129E+01 Ellipticity 0.4889125E-01 Gb(Abramov) 0.1956051E+00 Vb(Abramov) -0.2570370E+00 Hb(Abramov) -0.6143186E-01 Ex_ueg -0.5280642E-01 Ec_ueg -0.7696872E-02 Delta_ex -0.5640116E-01 Delta_ec 0.1371625E-01 Delta_et -0.1800731E+00 Pxc 0.6860763E+01 Qxc -0.4111996E+01 3,-1 107 3 -1 -0.219603 -3.371236 1.603570 Rho 0.3818339E-02 |GRAD(Rho)| 0.1631023E-16 GRAD(Rho)x -0.1398174E-16 GRAD(Rho)y 0.8235634E-17 GRAD(Rho)z 0.1645885E-17 Laplacian 0.1464642E-01 (-1/4)Del**2(Rho)) -0.3661605E-02 Diamond 0.3861997E-03 Metallicity 0.4388733E+00 Ellipticity 0.1737379E+00 Gb(Abramov) 0.2708900E-02 Vb(Abramov) -0.1756195E-02 Hb(Abramov) 0.9527049E-03 Ex_ueg -0.4407757E-03 Ec_ueg -0.9642099E-04 Delta_ex -0.8894669E-03 Delta_ec 0.8137021E-03 Delta_et -0.3928934E-02 Pxc 0.4571367E+01 Qxc -0.1093111E+01 3,-1 108 3 +1 0.641742 -2.304451 0.023902 Rho 0.2892467E-02 |GRAD(Rho)| 0.3722038E-17 GRAD(Rho)x 0.2970326E-17 GRAD(Rho)y -0.2161599E-17 GRAD(Rho)z 0.5985193E-18 Laplacian 0.1120892E-01 (-1/4)Del**2(Rho)) -0.2802229E-02 Diamond 0.7111579E-04 Metallicity 0.3609915E+00 Ellipticity -0.1104026E+01 Gb(Abramov) 0.2036750E-02 Vb(Abramov) -0.1271270E-02 Hb(Abramov) 0.7654797E-03 Ex_ueg -0.3043755E-03 Ec_ueg -0.5737598E-04 Delta_ex -0.3991129E-03 Delta_ec 0.1662861E-03 Delta_et -0.8429539E-03 Pxc 0.5304929E+01 Qxc -0.2400158E+01 3,+1 109 3 -1 0.527541 -0.045501 -2.421979 Rho 0.4824717E-01 |GRAD(Rho)| 0.7533376E-16 GRAD(Rho)x 0.7524554E-16 GRAD(Rho)y -0.2582008E-17 GRAD(Rho)z 0.2572439E-17 Laplacian 0.1976574E+00 (-1/4)Del**2(Rho)) -0.4941436E-01 Diamond 0.9729135E-01 Metallicity 0.2229220E+01 Ellipticity 0.1074256E-01 Gb(Abramov) 0.5130216E-01 Vb(Abramov) -0.5318996E-01 Hb(Abramov) -0.1887797E-02 Ex_ueg -0.1297222E-01 Ec_ueg -0.2318215E-02 Delta_ex -0.1620742E-01 Delta_ec 0.6039327E-02 Delta_et -0.6312898E-01 Pxc 0.5595777E+01 Qxc -0.2683647E+01 3,-1 110 3 -1 3.024037 0.073731 -0.052877 Rho 0.5177303E-02 |GRAD(Rho)| 0.9675066E-17 GRAD(Rho)x -0.6473455E-18 GRAD(Rho)y -0.9422087E-17 GRAD(Rho)z 0.2100506E-17 Laplacian 0.2050244E-01 (-1/4)Del**2(Rho)) -0.5125610E-02 Diamond 0.5860259E-03 Metallicity 0.5207711E+00 Ellipticity 0.3236655E+01 Gb(Abramov) 0.3861952E-02 Vb(Abramov) -0.2598293E-02 Hb(Abramov) 0.1263658E-02 Ex_ueg -0.6614898E-03 Ec_ueg -0.1545508E-03 Delta_ex -0.1101578E-02 Delta_ec 0.7800886E-03 Delta_et -0.4226933E-02 Pxc 0.4280079E+01 Qxc -0.1412119E+01 3,-1 111 3 -1 -0.517019 0.580697 -0.000955 Rho 0.1766765E+00 |GRAD(Rho)| 0.2999470E-15 GRAD(Rho)x 0.2255141E-15 GRAD(Rho)y -0.1977585E-15 GRAD(Rho)z 0.1788934E-17 Laplacian 0.4549589E+00 (-1/4)Del**2(Rho)) -0.1137397E+00 Diamond 0.1142843E+01 Metallicity 0.8425690E+01 Ellipticity 0.3456011E-02 Gb(Abramov) 0.2355491E+00 Vb(Abramov) -0.3573584E+00 Hb(Abramov) -0.1218094E+00 Ex_ueg -0.7321892E-01 Ec_ueg -0.1017254E-01 Delta_ex -0.5105113E-01 Delta_ec 0.1136616E-01 Delta_et -0.1552731E+00 Pxc 0.7197704E+01 Qxc -0.4491504E+01 3,-1 112 3 -1 -0.544659 0.694945 -3.218513 Rho 0.1297784E+00 |GRAD(Rho)| 0.2247277E-15 GRAD(Rho)x -0.1448494E-15 GRAD(Rho)y 0.1717918E-15 GRAD(Rho)z 0.2961227E-17 Laplacian 0.5397801E+00 (-1/4)Del**2(Rho)) -0.1349450E+00 Diamond 0.9039726E+00 Metallicity 0.4246851E+01 Ellipticity 0.1373010E-01 Gb(Abramov) 0.1854786E+00 Vb(Abramov) -0.2360121E+00 Hb(Abramov) -0.5053355E-01 Ex_ueg -0.4852754E-01 Ec_ueg -0.7161899E-02 Delta_ex -0.5577540E-01 Delta_ec 0.1385817E-01 Delta_et -0.1798765E+00 Pxc 0.6775792E+01 Qxc -0.4024730E+01 3,-1 113 3 -1 -0.537398 0.697693 3.209823 Rho 0.1265143E+00 |GRAD(Rho)| 0.1669271E-15 GRAD(Rho)x -0.6877230E-16 GRAD(Rho)y 0.2882623E-16 GRAD(Rho)z -0.1493455E-15 Laplacian 0.5217460E+00 (-1/4)Del**2(Rho)) -0.1304365E+00 Diamond 0.8496545E+00 Metallicity 0.4211014E+01 Ellipticity 0.9470382E-02 Gb(Abramov) 0.1785026E+00 Vb(Abramov) -0.2265688E+00 Hb(Abramov) -0.4806615E-01 Ex_ueg -0.4690702E-01 Ec_ueg -0.6957509E-02 Delta_ex -0.5360866E-01 Delta_ec 0.1352713E-01 Delta_et -0.1749582E+00 Pxc 0.6741927E+01 Qxc -0.3963048E+01 3,-1 114 3 -1 0.877573 -0.688499 -3.525692 Rho 0.1358086E+00 |GRAD(Rho)| 0.7352096E-12 GRAD(Rho)x 0.5481905E-12 GRAD(Rho)y -0.4887054E-12 GRAD(Rho)z 0.3445815E-13 Laplacian 0.5322928E+00 (-1/4)Del**2(Rho)) -0.1330732E+00 Diamond 0.9447688E+00 Metallicity 0.4645237E+01 Ellipticity 0.7622843E-01 Gb(Abramov) 0.1917415E+00 Vb(Abramov) -0.2504099E+00 Hb(Abramov) -0.5866835E-01 Ex_ueg -0.5155704E-01 Ec_ueg -0.7541344E-02 Delta_ex -0.5565012E-01 Delta_ec 0.1358390E-01 Delta_et -0.1776915E+00 Pxc 0.6836585E+01 Qxc -0.4096771E+01 3,-1 115 3 +1 0.191808 1.962032 -2.219810 Rho 0.5854597E-02 |GRAD(Rho)| 0.7819436E-17 GRAD(Rho)x -0.5617123E-18 GRAD(Rho)y -0.3936203E-17 GRAD(Rho)z -0.6733080E-17 Laplacian 0.2445816E-01 (-1/4)Del**2(Rho)) -0.6114540E-02 Diamond 0.6552523E-03 Metallicity 0.5358186E+00 Ellipticity -0.2387419E+01 Gb(Abramov) 0.4622407E-02 Vb(Abramov) -0.3130275E-02 Hb(Abramov) 0.1492133E-02 Ex_ueg -0.7793175E-03 Ec_ueg -0.1838730E-03 Delta_ex -0.1216488E-02 Delta_ec 0.7030531E-03 Delta_et -0.4029717E-02 Pxc 0.4238347E+01 Qxc -0.1730293E+01 3,+1 116 3 +1 0.529741 1.502874 0.840589 Rho 0.7310528E-02 |GRAD(Rho)| 0.1227221E-16 GRAD(Rho)x 0.6341026E-18 GRAD(Rho)y -0.1225566E-16 GRAD(Rho)z -0.6126513E-19 Laplacian 0.2864468E-01 (-1/4)Del**2(Rho)) -0.7161171E-02 Diamond 0.6419226E-03 Metallicity 0.6624458E+00 Ellipticity -0.1424122E+01 Gb(Abramov) 0.5564762E-02 Vb(Abramov) -0.3968353E-02 Hb(Abramov) 0.1596409E-02 Ex_ueg -0.1047892E-02 Ec_ueg -0.2476603E-03 Delta_ex -0.1271618E-02 Delta_ec 0.4304891E-03 Delta_et -0.2798116E-02 Pxc 0.4231168E+01 Qxc -0.2953892E+01 3,+1 117 3 +1 0.204376 1.986027 2.222604 Rho 0.5726615E-02 |GRAD(Rho)| 0.1163220E-16 GRAD(Rho)x 0.5961570E-18 GRAD(Rho)y 0.4743444E-17 GRAD(Rho)z -0.1060436E-16 Laplacian 0.2382831E-01 (-1/4)Del**2(Rho)) -0.5957077E-02 Diamond 0.6131864E-03 Metallicity 0.5300905E+00 Ellipticity -0.2261211E+01 Gb(Abramov) 0.4497683E-02 Vb(Abramov) -0.3038289E-02 Hb(Abramov) 0.1459394E-02 Ex_ueg -0.7566861E-03 Ec_ueg -0.1783148E-03 Delta_ex -0.1174831E-02 Delta_ec 0.6759936E-03 Delta_et -0.3853215E-02 Pxc 0.4243540E+01 Qxc -0.1737932E+01 3,+1 118 3 -1 0.884074 -0.683870 3.516667 Rho 0.1417705E+00 |GRAD(Rho)| 0.6657902E-13 GRAD(Rho)x -0.4982195E-13 GRAD(Rho)y 0.4324479E-13 GRAD(Rho)z 0.8968152E-14 Laplacian 0.5538825E+00 (-1/4)Del**2(Rho)) -0.1384706E+00 Diamond 0.1036866E+01 Metallicity 0.4795554E+01 Ellipticity 0.7752493E-01 Gb(Abramov) 0.2029877E+00 Vb(Abramov) -0.2675047E+00 Hb(Abramov) -0.6451703E-01 Ex_ueg -0.5459670E-01 Ec_ueg -0.7918809E-02 Delta_ex -0.5853637E-01 Delta_ec 0.1401950E-01 Delta_et -0.1846285E+00 Pxc 0.6894559E+01 Qxc -0.4175354E+01 3,-1 119 3 -1 0.010870 2.112447 2.076412 Rho 0.5807003E-02 |GRAD(Rho)| 0.1895152E-15 GRAD(Rho)x -0.1874586E-15 GRAD(Rho)y 0.1568987E-16 GRAD(Rho)z 0.2300241E-16 Laplacian 0.2321588E-01 (-1/4)Del**2(Rho)) -0.5803969E-02 Diamond 0.7854870E-03 Metallicity 0.5568626E+00 Ellipticity 0.1747094E+01 Gb(Abramov) 0.4407982E-02 Vb(Abramov) -0.3011994E-02 Hb(Abramov) 0.1395988E-02 Ex_ueg -0.7708817E-03 Ec_ueg -0.1818050E-03 Delta_ex -0.1282329E-02 Delta_ec 0.8986360E-03 Delta_et -0.5037853E-02 Pxc 0.4240156E+01 Qxc -0.1426972E+01 3,-1 120 3 -1 -0.542625 2.441792 0.005890 Rho 0.3853920E-01 |GRAD(Rho)| 0.2581057E-13 GRAD(Rho)x 0.1670566E-13 GRAD(Rho)y -0.1504078E-13 GRAD(Rho)z 0.1268392E-13 Laplacian 0.1594683E+00 (-1/4)Del**2(Rho)) -0.3986707E-01 Diamond 0.5787512E-01 Metallicity 0.1900101E+01 Ellipticity 0.1475122E-01 Gb(Abramov) 0.3920329E-01 Vb(Abramov) -0.3853951E-01 Hb(Abramov) 0.6637821E-03 Ex_ueg -0.9614395E-02 Ec_ueg -0.1791920E-02 Delta_ex -0.1237019E-01 Delta_ec 0.4883611E-02 Delta_et -0.4806032E-01 Pxc 0.5365414E+01 Qxc -0.2533002E+01 3,-1 121 3 -1 2.016468 -1.541076 -2.728790 Rho 0.1181709E+00 |GRAD(Rho)| 0.8197166E-13 GRAD(Rho)x -0.6959643E-14 GRAD(Rho)y -0.5293941E-13 GRAD(Rho)z 0.6219594E-13 Laplacian 0.4449491E+00 (-1/4)Del**2(Rho)) -0.1112373E+00 Diamond 0.6815373E+00 Metallicity 0.4407111E+01 Ellipticity 0.3262043E-01 Gb(Abramov) 0.1558640E+00 Vb(Abramov) -0.2004908E+00 Hb(Abramov) -0.4462674E-01 Ex_ueg -0.4282848E-01 Ec_ueg -0.6438363E-02 Delta_ex -0.4516670E-01 Delta_ec 0.1206624E-01 Delta_et -0.1548502E+00 Pxc 0.6652075E+01 Qxc -0.3743228E+01 3,-1 122 3 -1 1.722040 -0.944230 -1.586413 Rho 0.4298474E-01 |GRAD(Rho)| 0.1063064E-13 GRAD(Rho)x -0.2892922E-15 GRAD(Rho)y 0.1062589E-13 GRAD(Rho)z 0.1317255E-15 Laplacian 0.1728296E+00 (-1/4)Del**2(Rho)) -0.4320740E-01 Diamond 0.7350915E-01 Metallicity 0.2103062E+01 Ellipticity 0.1927079E-01 Gb(Abramov) 0.4394958E-01 Vb(Abramov) -0.4469175E-01 Hb(Abramov) -0.7421755E-03 Ex_ueg -0.1112084E-01 Ec_ueg -0.2030933E-02 Delta_ex -0.1381219E-01 Delta_ec 0.5359899E-02 Delta_et -0.5434054E-01 Pxc 0.5475729E+01 Qxc -0.2576949E+01 3,-1 123 3 -1 1.720494 -0.952983 1.566543 Rho 0.4472965E-01 |GRAD(Rho)| 0.1320855E-15 GRAD(Rho)x 0.1320742E-15 GRAD(Rho)y -0.1031474E-17 GRAD(Rho)z 0.1380240E-17 Laplacian 0.1786108E+00 (-1/4)Del**2(Rho)) -0.4465270E-01 Diamond 0.8016039E-01 Metallicity 0.2174526E+01 Ellipticity 0.2505696E-01 Gb(Abramov) 0.4595154E-01 Vb(Abramov) -0.4725038E-01 Hb(Abramov) -0.1298842E-02 Ex_ueg -0.1172679E-01 Ec_ueg -0.2125689E-02 Delta_ex -0.1441397E-01 Delta_ec 0.5535195E-02 Delta_et -0.5672093E-01 Pxc 0.5516700E+01 Qxc -0.2604058E+01 3,-1 124 3 -1 1.755052 0.813003 1.611090 Rho 0.3298275E-01 |GRAD(Rho)| 0.1334451E-12 GRAD(Rho)x -0.4481681E-13 GRAD(Rho)y -0.8221826E-13 GRAD(Rho)z -0.9507473E-13 Laplacian 0.1340587E+00 (-1/4)Del**2(Rho)) -0.3351467E-01 Diamond 0.3887218E-01 Metallicity 0.1743665E+01 Ellipticity 0.4988938E-01 Gb(Abramov) 0.3208284E-01 Vb(Abramov) -0.3065101E-01 Hb(Abramov) 0.1431831E-02 Ex_ueg -0.7812097E-02 Ec_ueg -0.1498463E-02 Delta_ex -0.9973689E-02 Delta_ec 0.4041841E-02 Delta_et -0.3811026E-01 Pxc 0.5213408E+01 Qxc -0.2467610E+01 3,-1 125 3 -1 -0.060292 -0.004949 -4.484414 Rho 0.2250097E+00 |GRAD(Rho)| 0.2162291E-15 GRAD(Rho)x 0.1010476E-15 GRAD(Rho)y -0.2839678E-17 GRAD(Rho)z -0.1911448E-15 Laplacian 0.8283401E+00 (-1/4)Del**2(Rho)) -0.2070850E+00 Diamond 0.2711876E+01 Metallicity 0.6924790E+01 Ellipticity 0.1005293E-02 Gb(Abramov) 0.3770600E+00 Vb(Abramov) -0.5470350E+00 Hb(Abramov) -0.1699750E+00 Ex_ueg -0.1010772E+00 Ec_ueg -0.1340904E-01 Delta_ex -0.9842070E-01 Delta_ec 0.1865742E-01 Delta_et -0.2577732E+00 Pxc 0.7537995E+01 Qxc -0.5275151E+01 3,-1 126 3 +3 1.118546 1.490118 0.027310 Rho 0.4222914E-02 |GRAD(Rho)| 0.6844501E-13 GRAD(Rho)x -0.4714094E-13 GRAD(Rho)y -0.2693215E-13 GRAD(Rho)z 0.4167865E-13 Laplacian 0.1667113E-01 (-1/4)Del**2(Rho)) -0.4167783E-02 Diamond 0.1025249E-03 Metallicity 0.4560387E+00 Ellipticity -0.1401729E+00 Gb(Abramov) 0.3095301E-02 Vb(Abramov) -0.2022818E-02 Hb(Abramov) 0.1072483E-02 Ex_ueg -0.5041209E-03 Ec_ueg -0.1136264E-03 Delta_ex -0.5615055E-03 Delta_ec 0.9444849E-04 Delta_et -0.6642126E-03 Pxc 0.4436652E+01 Qxc -0.5945097E+01 3,+3 127 3 -1 0.547752 3.241290 -0.673167 Rho 0.1265325E+00 |GRAD(Rho)| 0.1372524E-15 GRAD(Rho)x -0.1286541E-15 GRAD(Rho)y 0.4705437E-16 GRAD(Rho)z -0.8497435E-17 Laplacian 0.5251224E+00 (-1/4)Del**2(Rho)) -0.1312806E+00 Diamond 0.8587669E+00 Metallicity 0.4184945E+01 Ellipticity 0.1223657E-01 Gb(Abramov) 0.1790874E+00 Vb(Abramov) -0.2268942E+00 Hb(Abramov) -0.4780680E-01 Ex_ueg -0.4691604E-01 Ec_ueg -0.6958651E-02 Delta_ex -0.5400077E-01 Delta_ec 0.1369153E-01 Delta_et -0.1772297E+00 Pxc 0.6742118E+01 Qxc -0.3944100E+01 3,-1 128 3 -1 0.552840 3.254620 0.684584 Rho 0.1363002E+00 |GRAD(Rho)| 0.8636989E-14 GRAD(Rho)x 0.4956525E-14 GRAD(Rho)y -0.6304148E-14 GRAD(Rho)z 0.3207517E-14 Laplacian 0.5613414E+00 (-1/4)Del**2(Rho)) -0.1403353E+00 Diamond 0.1002191E+01 Metallicity 0.4431463E+01 Ellipticity 0.1848155E-01 Gb(Abramov) 0.1972054E+00 Vb(Abramov) -0.2540754E+00 Hb(Abramov) -0.5687004E-01 Ex_ueg -0.5180606E-01 Ec_ueg -0.7572387E-02 Delta_ex -0.5875608E-01 Delta_ec 0.1434349E-01 Delta_et -0.1877932E+00 Pxc 0.6841444E+01 Qxc -0.4096359E+01 3,-1 129 3 -1 0.840129 0.725674 3.497182 Rho 0.1279905E+00 |GRAD(Rho)| 0.1693925E-15 GRAD(Rho)x -0.9282126E-16 GRAD(Rho)y -0.1180493E-15 GRAD(Rho)z 0.7837342E-16 Laplacian 0.4953001E+00 (-1/4)Del**2(Rho)) -0.1238250E+00 Diamond 0.8226879E+00 Metallicity 0.4522454E+01 Ellipticity 0.5210318E-01 Gb(Abramov) 0.1758822E+00 Vb(Abramov) -0.2279393E+00 Hb(Abramov) -0.5205715E-01 Ex_ueg -0.4763819E-01 Ec_ueg -0.7049856E-02 Delta_ex -0.5109290E-01 Delta_ec 0.1291081E-01 Delta_et -0.1674946E+00 Pxc 0.6757328E+01 Qxc -0.3957375E+01 3,-1 130 3 -1 -0.061556 -0.012513 4.473033 Rho 0.2246299E+00 |GRAD(Rho)| 0.2487171E-15 GRAD(Rho)x 0.1772400E-15 GRAD(Rho)y -0.3747486E-17 GRAD(Rho)z -0.1744481E-15 Laplacian 0.8295124E+00 (-1/4)Del**2(Rho)) -0.2073781E+00 Diamond 0.2708279E+01 Metallicity 0.6895558E+01 Ellipticity 0.8964626E-03 Gb(Abramov) 0.3765833E+00 Vb(Abramov) -0.5457886E+00 Hb(Abramov) -0.1692052E+00 Ex_ueg -0.1008498E+00 Ec_ueg -0.1338309E-01 Delta_ex -0.9850568E-01 Delta_ec 0.1867298E-01 Delta_et -0.2578849E+00 Pxc 0.7535612E+01 Qxc -0.5275307E+01 3,-1 131 3 +1 1.314820 0.713791 -2.312114 Rho 0.2552877E-01 |GRAD(Rho)| 0.1580028E-15 GRAD(Rho)x 0.9196156E-16 GRAD(Rho)y 0.9737031E-16 GRAD(Rho)z -0.8382706E-16 Laplacian 0.9986619E-01 (-1/4)Del**2(Rho)) -0.2496655E-01 Diamond 0.1398244E-01 Metallicity 0.1527253E+01 Ellipticity -0.4857780E+01 Gb(Abramov) 0.2299941E-01 Vb(Abramov) -0.2103226E-01 Hb(Abramov) 0.1967143E-02 Ex_ueg -0.5551685E-02 Ec_ueg -0.1115373E-02 Delta_ex -0.6302928E-02 Delta_ec 0.1796330E-02 Delta_et -0.1591573E-01 Pxc 0.4977423E+01 Qxc -0.3508781E+01 3,+1 132 3 -1 0.082722 4.543211 0.000513 Rho 0.2227551E+00 |GRAD(Rho)| 0.3966590E-15 GRAD(Rho)x -0.6765422E-16 GRAD(Rho)y -0.3904212E-15 GRAD(Rho)z -0.1823662E-16 Laplacian 0.8037892E+00 (-1/4)Del**2(Rho)) -0.2009473E+00 Diamond 0.2609184E+01 Metallicity 0.7017520E+01 Ellipticity 0.2705491E-03 Gb(Abramov) 0.3689902E+00 Vb(Abramov) -0.5370330E+00 Hb(Abramov) -0.1680429E+00 Ex_ueg -0.9972909E-01 Ec_ueg -0.1325517E-01 Delta_ex -0.9530991E-01 Delta_ec 0.1825524E-01 Delta_et -0.2524782E+00 Pxc 0.7523787E+01 Qxc -0.5220961E+01 3,-1 133 3 -1 0.530985 -0.055279 2.414939 Rho 0.4922525E-01 |GRAD(Rho)| 0.2403009E-14 GRAD(Rho)x 0.1722452E-14 GRAD(Rho)y -0.1669871E-14 GRAD(Rho)z 0.1383489E-15 Laplacian 0.2017061E+00 (-1/4)Del**2(Rho)) -0.5042653E-01 Diamond 0.1019318E+00 Metallicity 0.2258780E+01 Ellipticity 0.1351184E-01 Gb(Abramov) 0.5260143E-01 Vb(Abramov) -0.5477633E-01 Hb(Abramov) -0.2174898E-02 Ex_ueg -0.1332403E-01 Ec_ueg -0.2372094E-02 Delta_ex -0.1661831E-01 Delta_ec 0.6154471E-02 Delta_et -0.6467225E-01 Pxc 0.5616992E+01 Qxc -0.2700202E+01 3,-1 134 3 +1 2.199347 -0.281999 -1.738258 Rho 0.2406137E-01 |GRAD(Rho)| 0.6190467E-14 GRAD(Rho)x -0.2660588E-14 GRAD(Rho)y -0.3018542E-14 GRAD(Rho)z -0.4704419E-14 Laplacian 0.9253150E-01 (-1/4)Del**2(Rho)) -0.2313287E-01 Diamond 0.1045550E-01 Metallicity 0.1493450E+01 Ellipticity -0.2523848E+01 Gb(Abramov) 0.2117988E-01 Vb(Abramov) -0.1922689E-01 Hb(Abramov) 0.1952992E-02 Ex_ueg -0.5130332E-02 Ec_ueg -0.1041573E-02 Delta_ex -0.5579286E-02 Delta_ec 0.1360901E-02 Delta_et -0.1195475E-01 Pxc 0.4925564E+01 Qxc -0.4099701E+01 3,+1 135 3 +3 0.788972 -2.118042 0.021101 Rho 0.2875051E-02 |GRAD(Rho)| 0.6097503E-17 GRAD(Rho)x 0.3895620E-17 GRAD(Rho)y -0.1245975E-17 GRAD(Rho)z 0.4522305E-17 Laplacian 0.1126578E-01 (-1/4)Del**2(Rho)) -0.2816445E-02 Diamond 0.5936892E-04 Metallicity 0.3555723E+00 Ellipticity -0.8820126E+00 Gb(Abramov) 0.2044538E-02 Vb(Abramov) -0.1272632E-02 Hb(Abramov) 0.7719067E-03 Ex_ueg -0.3019344E-03 Ec_ueg -0.5664600E-04 Delta_ex -0.3782083E-03 Delta_ec 0.1271554E-03 Delta_et -0.6787305E-03 Pxc 0.5330197E+01 Qxc -0.2974378E+01 3,+3 136 3 +1 2.212798 -0.245040 1.742641 Rho 0.2301653E-01 |GRAD(Rho)| 0.9455863E-15 GRAD(Rho)x -0.3136411E-15 GRAD(Rho)y 0.6662263E-15 GRAD(Rho)z 0.5932160E-15 Laplacian 0.8894822E-01 (-1/4)Del**2(Rho)) -0.2223705E-01 Diamond 0.1007450E-01 Metallicity 0.1442809E+01 Ellipticity -0.2902117E+01 Gb(Abramov) 0.2017201E-01 Vb(Abramov) -0.1810696E-01 Hb(Abramov) 0.2065047E-02 Ex_ueg -0.4835464E-02 Ec_ueg -0.9893773E-03 Delta_ex -0.5374265E-02 Delta_ec 0.1442690E-02 Delta_et -0.1249757E-01 Pxc 0.4887381E+01 Qxc -0.3725169E+01 3,+1 137 3 +1 1.399099 -0.824211 -2.296700 Rho 0.2735236E-01 |GRAD(Rho)| 0.2450285E-16 GRAD(Rho)x 0.7654652E-17 GRAD(Rho)y -0.1510152E-16 GRAD(Rho)z -0.1771271E-16 Laplacian 0.1087852E+00 (-1/4)Del**2(Rho)) -0.2719631E-01 Diamond 0.1595894E-01 Metallicity 0.1572900E+01 Ellipticity -0.3622569E+01 Gb(Abramov) 0.2526038E-01 Vb(Abramov) -0.2332446E-01 Hb(Abramov) 0.1935923E-02 Ex_ueg -0.6086646E-02 Ec_ueg -0.1207866E-02 Delta_ex -0.6916869E-02 Delta_ec 0.1821114E-02 Delta_et -0.1643425E-01 Pxc 0.5039175E+01 Qxc -0.3798153E+01 3,+1 138 3 +1 1.417710 -0.839031 2.278994 Rho 0.2794674E-01 |GRAD(Rho)| 0.3315389E-16 GRAD(Rho)x 0.7909308E-17 GRAD(Rho)y 0.8453689E-17 GRAD(Rho)z -0.3106700E-16 Laplacian 0.1112691E+00 (-1/4)Del**2(Rho)) -0.2781727E-01 Diamond 0.1633260E-01 Metallicity 0.1593886E+01 Ellipticity -0.3225655E+01 Gb(Abramov) 0.2593444E-01 Vb(Abramov) -0.2405161E-01 Hb(Abramov) 0.1882831E-02 Ex_ueg -0.6263638E-02 Ec_ueg -0.1238192E-02 Delta_ex -0.7070806E-02 Delta_ec 0.1782209E-02 Delta_et -0.1617817E-01 Pxc 0.5058695E+01 Qxc -0.3967438E+01 3,+1 139 3 +1 3.024127 0.070665 -0.205645 Rho 0.5165825E-02 |GRAD(Rho)| 0.2308707E-17 GRAD(Rho)x -0.1000665E-17 GRAD(Rho)y -0.1064962E-18 GRAD(Rho)z -0.2077849E-17 Laplacian 0.2085695E-01 (-1/4)Del**2(Rho)) -0.5214239E-02 Diamond 0.5171988E-03 Metallicity 0.5100292E+00 Ellipticity -0.3740036E+01 Gb(Abramov) 0.3919395E-02 Vb(Abramov) -0.2624551E-02 Hb(Abramov) 0.1294844E-02 Ex_ueg -0.6595351E-03 Ec_ueg -0.1540559E-03 Delta_ex -0.1051555E-02 Delta_ec 0.6710606E-03 Delta_et -0.3674539E-02 Pxc 0.4281142E+01 Qxc -0.1567005E+01 3,+1 140 3 +3 1.951455 0.022932 2.700829 Rho 0.1139402E-01 |GRAD(Rho)| 0.2064414E-16 GRAD(Rho)x -0.1590664E-16 GRAD(Rho)y 0.5270338E-18 GRAD(Rho)z 0.1314845E-16 Laplacian 0.5229564E-01 (-1/4)Del**2(Rho)) -0.1307391E-01 Diamond 0.1201486E-02 Metallicity 0.7602258E+00 Ellipticity -0.7689611E+00 Gb(Abramov) 0.1037246E-01 Vb(Abramov) -0.7671011E-02 Hb(Abramov) 0.2701449E-02 Ex_ueg -0.1893598E-02 Ec_ueg -0.4316676E-03 Delta_ex -0.2303400E-02 Delta_ec 0.2639835E-03 Delta_et -0.2281756E-02 Pxc 0.4386703E+01 Qxc -0.8725546E+01 3,+3 141 3 +1 1.398584 0.765297 2.250204 Rho 0.2362137E-01 |GRAD(Rho)| 0.1878189E-14 GRAD(Rho)x -0.4574139E-16 GRAD(Rho)y -0.1107572E-14 GRAD(Rho)z 0.1516175E-14 Laplacian 0.9101862E-01 (-1/4)Del**2(Rho)) -0.2275466E-01 Diamond 0.1053498E-01 Metallicity 0.1472283E+01 Ellipticity -0.2923994E+01 Gb(Abramov) 0.2075332E-01 Vb(Abramov) -0.1875198E-01 Hb(Abramov) 0.2001336E-02 Ex_ueg -0.5005627E-02 Ec_ueg -0.1019556E-02 Delta_ex -0.5520234E-02 Delta_ec 0.1445124E-02 Delta_et -0.1260675E-01 Pxc 0.4909616E+01 Qxc -0.3819903E+01 3,+1 142 3 -1 1.740031 0.811339 -1.589313 Rho 0.3809028E-01 |GRAD(Rho)| 0.8891013E-16 GRAD(Rho)x 0.7220130E-16 GRAD(Rho)y -0.4831095E-16 GRAD(Rho)z -0.1892182E-16 Laplacian 0.1478282E+00 (-1/4)Del**2(Rho)) -0.3695706E-01 Diamond 0.5026686E-01 Metallicity 0.2010077E+01 Ellipticity 0.4577709E-01 Gb(Abramov) 0.3701913E-01 Vb(Abramov) -0.3708120E-01 Hb(Abramov) -0.6207135E-04 Ex_ueg -0.9465364E-02 Ec_ueg -0.1767985E-02 Delta_ex -0.1127722E-01 Delta_ec 0.4246963E-02 Delta_et -0.4163904E-01 Pxc 0.5353757E+01 Qxc -0.2655360E+01 3,-1 143 3 -1 1.460915 -3.045706 0.012974 Rho 0.7793426E-02 |GRAD(Rho)| 0.1723660E-14 GRAD(Rho)x 0.1601359E-14 GRAD(Rho)y -0.6293705E-15 GRAD(Rho)z 0.1027015E-15 Laplacian 0.3202039E-01 (-1/4)Del**2(Rho)) -0.8005096E-02 Diamond 0.1808604E-02 Metallicity 0.6592760E+00 Ellipticity 0.4008210E+00 Gb(Abramov) 0.6216326E-02 Vb(Abramov) -0.4427555E-02 Hb(Abramov) 0.1788771E-02 Ex_ueg -0.1141186E-02 Ec_ueg -0.2690375E-03 Delta_ex -0.1971212E-02 Delta_ec 0.1422294E-02 Delta_et -0.8665623E-02 Pxc 0.4241734E+01 Qxc -0.1385938E+01 3,-1 144 3 +1 2.056926 0.033249 2.863779 Rho 0.1148194E-01 |GRAD(Rho)| 0.9410800E-17 GRAD(Rho)x -0.4386654E-17 GRAD(Rho)y -0.7719264E-17 GRAD(Rho)z 0.3119839E-17 Laplacian 0.5334512E-01 (-1/4)Del**2(Rho)) -0.1333628E-01 Diamond 0.1666589E-02 Metallicity 0.7548791E+00 Ellipticity -0.1143363E+01 Gb(Abramov) 0.1056873E-01 Vb(Abramov) -0.7801187E-02 Hb(Abramov) 0.2767547E-02 Ex_ueg -0.1913105E-02 Ec_ueg -0.4357068E-03 Delta_ex -0.2485970E-02 Delta_ec 0.5033741E-03 Delta_et -0.3882465E-02 Pxc 0.4390809E+01 Qxc -0.4938614E+01 3,+1 145 3 -1 2.018796 -1.534111 2.705744 Rho 0.1113027E+00 |GRAD(Rho)| 0.3972584E-15 GRAD(Rho)x 0.1980295E-15 GRAD(Rho)y -0.7834885E-16 GRAD(Rho)z -0.3353505E-15 Laplacian 0.4200403E+00 (-1/4)Del**2(Rho)) -0.1050101E+00 Diamond 0.5990670E+00 Metallicity 0.4225049E+01 Ellipticity 0.2920541E-01 Gb(Abramov) 0.1439522E+00 Vb(Abramov) -0.1828943E+00 Hb(Abramov) -0.3894210E-01 Ex_ueg -0.3954207E-01 Ec_ueg -0.6014675E-02 Delta_ex -0.4204461E-01 Delta_ec 0.1155909E-01 Delta_et -0.1467469E+00 Pxc 0.6574266E+01 Qxc -0.3637363E+01 3,-1 146 3 +1 2.040591 0.008580 -2.849861 Rho 0.1166036E-01 |GRAD(Rho)| 0.2319285E-16 GRAD(Rho)x -0.8813090E-18 GRAD(Rho)y -0.2245283E-16 GRAD(Rho)z -0.5744726E-17 Laplacian 0.5445481E-01 (-1/4)Del**2(Rho)) -0.1361370E-01 Diamond 0.1688356E-02 Metallicity 0.7587464E+00 Ellipticity -0.1117156E+01 Gb(Abramov) 0.1079736E-01 Vb(Abramov) -0.7981018E-02 Hb(Abramov) 0.2816343E-02 Ex_ueg -0.1952844E-02 Ec_ueg -0.4439127E-03 Delta_ex -0.2533589E-02 Delta_ec 0.4873385E-03 Delta_et -0.3799824E-02 Pxc 0.4399162E+01 Qxc -0.5198829E+01 3,+1 147 3 -1 2.821096 1.727758 -0.871688 Rho 0.1421630E+00 |GRAD(Rho)| 0.2373757E-13 GRAD(Rho)x -0.1487652E-13 GRAD(Rho)y -0.1540937E-13 GRAD(Rho)z 0.1023292E-13 Laplacian 0.5906964E+00 (-1/4)Del**2(Rho)) -0.1476741E+00 Diamond 0.1122694E+01 Metallicity 0.4517445E+01 Ellipticity 0.1655923E-01 Gb(Abramov) 0.2096343E+00 Vb(Abramov) -0.2715946E+00 Hb(Abramov) -0.6196024E-01 Ex_ueg -0.5479829E-01 Ec_ueg -0.7943733E-02 Delta_ex -0.6261087E-01 Delta_ec 0.1519396E-01 Delta_et -0.2007234E+00 Pxc 0.6898304E+01 Qxc -0.4120774E+01 3,-1 148 3 -1 1.811473 2.355820 -1.558875 Rho 0.1385842E+00 |GRAD(Rho)| 0.1582267E-13 GRAD(Rho)x 0.3397348E-14 GRAD(Rho)y -0.9487989E-14 GRAD(Rho)z -0.1219807E-13 Laplacian 0.5845204E+00 (-1/4)Del**2(Rho)) -0.1461301E+00 Diamond 0.1072705E+01 Metallicity 0.4375249E+01 Ellipticity 0.1026518E-01 Gb(Abramov) 0.2039793E+00 Vb(Abramov) -0.2618286E+00 Hb(Abramov) -0.5784924E-01 Ex_ueg -0.5296673E-01 Ec_ueg -0.7716790E-02 Delta_ex -0.6152014E-01 Delta_ec 0.1503512E-01 Delta_et -0.1976729E+00 Pxc 0.6863830E+01 Qxc -0.4091762E+01 3,-1 149 3 +1 1.772386 2.506836 0.007650 Rho 0.1216191E-01 |GRAD(Rho)| 0.3081569E-12 GRAD(Rho)x 0.2640908E-12 GRAD(Rho)y -0.1587974E-12 GRAD(Rho)z -0.3187605E-15 Laplacian 0.6072201E-01 (-1/4)Del**2(Rho)) -0.1518050E-01 Diamond 0.2455560E-02 Metallicity 0.7299114E+00 Ellipticity -0.1249905E+01 Gb(Abramov) 0.1196707E-01 Vb(Abramov) -0.8753642E-02 Hb(Abramov) 0.3213431E-02 Ex_ueg -0.2065638E-02 Ec_ueg -0.4670486E-03 Delta_ex -0.2988881E-02 Delta_ec 0.7766559E-03 Delta_et -0.5851520E-02 Pxc 0.4422748E+01 Qxc -0.3848398E+01 3,+1 150 3 -1 1.830461 2.369872 1.575117 Rho 0.1211860E+00 |GRAD(Rho)| 0.4704201E-12 GRAD(Rho)x -0.4285267E-12 GRAD(Rho)y 0.9204325E-13 GRAD(Rho)z -0.1708449E-12 Laplacian 0.5101193E+00 (-1/4)Del**2(Rho)) -0.1275298E+00 Diamond 0.7890537E+00 Metallicity 0.4008933E+01 Ellipticity 0.9035027E-02 Gb(Abramov) 0.1702296E+00 Vb(Abramov) -0.2129294E+00 Hb(Abramov) -0.4269981E-01 Ex_ueg -0.4429162E-01 Ec_ueg -0.6625414E-02 Delta_ex -0.5187708E-01 Delta_ec 0.1336657E-01 Delta_et -0.1716620E+00 Pxc 0.6685110E+01 Qxc -0.3881106E+01 3,-1 151 3 -1 2.825761 1.735093 0.899969 Rho 0.1245903E+00 |GRAD(Rho)| 0.1062016E-12 GRAD(Rho)x -0.9428141E-14 GRAD(Rho)y 0.4214204E-14 GRAD(Rho)z 0.1056983E-12 Laplacian 0.5162599E+00 (-1/4)Del**2(Rho)) -0.1290650E+00 Diamond 0.8275817E+00 Metallicity 0.4148443E+01 Ellipticity 0.1668223E-01 Gb(Abramov) 0.1752798E+00 Vb(Abramov) -0.2214945E+00 Hb(Abramov) -0.4621478E-01 Ex_ueg -0.4595830E-01 Ec_ueg -0.6837369E-02 Delta_ex -0.5287755E-01 Delta_ec 0.1348414E-01 Delta_et -0.1740551E+00 Pxc 0.6721635E+01 Qxc -0.3921461E+01 3,-1 152 3 +1 1.743330 -2.756578 0.010612 Rho 0.7286523E-02 |GRAD(Rho)| 0.4341468E-14 GRAD(Rho)x 0.3193407E-14 GRAD(Rho)y 0.2941114E-14 GRAD(Rho)z -0.1837417E-16 Laplacian 0.3321650E-01 (-1/4)Del**2(Rho)) -0.8304124E-02 Diamond 0.1061336E-02 Metallicity 0.5681459E+00 Ellipticity -0.1745404E+01 Gb(Abramov) 0.6322408E-02 Vb(Abramov) -0.4340693E-02 Hb(Abramov) 0.1981716E-02 Ex_ueg -0.1043307E-02 Ec_ueg -0.2466005E-03 Delta_ex -0.1653380E-02 Delta_ec 0.8205713E-03 Delta_et -0.5073349E-02 Pxc 0.4230759E+01 Qxc -0.2014914E+01 3,+1 153 3 -1 1.932988 -2.526066 1.660206 Rho 0.2239831E+00 |GRAD(Rho)| 0.1334154E-15 GRAD(Rho)x 0.3892286E-16 GRAD(Rho)y 0.1262011E-15 GRAD(Rho)z -0.1891933E-16 Laplacian 0.8513942E+00 (-1/4)Del**2(Rho)) -0.2128486E+00 Diamond 0.2753149E+01 Metallicity 0.6686124E+01 Ellipticity 0.1377495E-01 Gb(Abramov) 0.3790877E+00 Vb(Abramov) -0.5453268E+00 Hb(Abramov) -0.1662391E+00 Ex_ueg -0.1004628E+00 Ec_ueg -0.1333894E-01 Delta_ex -0.1009297E+00 Delta_ec 0.1900485E-01 Delta_et -0.2617153E+00 Pxc 0.7531544E+01 Qxc -0.5310736E+01 3,-1 154 3 -1 1.994244 1.538086 -2.709167 Rho 0.1347560E+00 |GRAD(Rho)| 0.1442516E-13 GRAD(Rho)x -0.1124499E-13 GRAD(Rho)y -0.9025394E-14 GRAD(Rho)z -0.4214023E-15 Laplacian 0.5259695E+00 (-1/4)Del**2(Rho)) -0.1314924E+00 Diamond 0.9419129E+00 Metallicity 0.4640515E+01 Ellipticity 0.3323628E-01 Gb(Abramov) 0.1893603E+00 Vb(Abramov) -0.2472282E+00 Hb(Abramov) -0.5786793E-01 Ex_ueg -0.5102495E-01 Ec_ueg -0.7474941E-02 Delta_ex -0.5508097E-01 Delta_ec 0.1379785E-01 Delta_et -0.1809784E+00 Pxc 0.6826134E+01 Qxc -0.3991997E+01 3,-1 155 3 -1 1.999301 1.554831 2.723688 Rho 0.1288169E+00 |GRAD(Rho)| 0.3341996E-15 GRAD(Rho)x -0.1913210E-15 GRAD(Rho)y -0.9503371E-16 GRAD(Rho)z 0.2570101E-15 Laplacian 0.4970582E+00 (-1/4)Del**2(Rho)) -0.1242646E+00 Diamond 0.8345657E+00 Metallicity 0.4555059E+01 Ellipticity 0.4475101E-01 Gb(Abramov) 0.1771818E+00 Vb(Abramov) -0.2300990E+00 Hb(Abramov) -0.5291721E-01 Ex_ueg -0.4804876E-01 Ec_ueg -0.7101619E-02 Delta_ex -0.5138504E-01 Delta_ec 0.1299219E-01 Delta_et -0.1688292E+00 Pxc 0.6765889E+01 Qxc -0.3955070E+01 3,-1 156 3 +1 3.025828 0.073262 0.288861 Rho 0.5078430E-02 |GRAD(Rho)| 0.4232162E-14 GRAD(Rho)x -0.7090015E-15 GRAD(Rho)y 0.3063876E-14 GRAD(Rho)z 0.2832168E-14 Laplacian 0.2080958E-01 (-1/4)Del**2(Rho)) -0.5202395E-02 Diamond 0.4579132E-03 Metallicity 0.4968581E+00 Ellipticity -0.2151770E+01 Gb(Abramov) 0.3899072E-02 Vb(Abramov) -0.2595749E-02 Hb(Abramov) 0.1303323E-02 Ex_ueg -0.6447001E-03 Ec_ueg -0.1502895E-03 Delta_ex -0.1003524E-02 Delta_ec 0.5941759E-03 Delta_et -0.3266650E-02 Pxc 0.4289720E+01 Qxc -0.1688934E+01 3,+1 157 3 -1 3.037330 0.889450 2.041234 Rho 0.1747728E+00 |GRAD(Rho)| 0.4563237E-15 GRAD(Rho)x 0.1264044E-15 GRAD(Rho)y -0.4360390E-15 GRAD(Rho)z 0.4607859E-16 Laplacian 0.6747253E+00 (-1/4)Del**2(Rho)) -0.1686813E+00 Diamond 0.1623844E+01 Metallicity 0.5579680E+01 Ellipticity 0.5809986E-01 Gb(Abramov) 0.2693188E+00 Vb(Abramov) -0.3699564E+00 Hb(Abramov) -0.1006375E+00 Ex_ueg -0.7216892E-01 Ec_ueg -0.1004777E-01 Delta_ex -0.7510749E-01 Delta_ec 0.1619090E-01 Delta_et -0.2189128E+00 Pxc 0.7182584E+01 Qxc -0.4638870E+01 3,-1 158 3 -1 1.930539 -2.508817 -1.660395 Rho 0.2226013E+00 |GRAD(Rho)| 0.6013958E-16 GRAD(Rho)x -0.2650874E-16 GRAD(Rho)y 0.4607859E-16 GRAD(Rho)z -0.2812149E-16 Laplacian 0.8496237E+00 (-1/4)Del**2(Rho)) -0.2124059E+00 Diamond 0.2721973E+01 Metallicity 0.6631310E+01 Ellipticity 0.1633822E-01 Gb(Abramov) 0.3763589E+00 Vb(Abramov) -0.5403119E+00 Hb(Abramov) -0.1639530E+00 Ex_ueg -0.9963731E-01 Ec_ueg -0.1324469E-01 Delta_ex -0.1005284E+00 Delta_ec 0.1894588E-01 Delta_et -0.2606086E+00 Pxc 0.7522812E+01 Qxc -0.5306084E+01 3,-1 159 3 -1 3.028487 0.862228 -2.015391 Rho 0.1778156E+00 |GRAD(Rho)| 0.2930769E-13 GRAD(Rho)x 0.2029911E-13 GRAD(Rho)y -0.9775113E-14 GRAD(Rho)z 0.1874390E-13 Laplacian 0.6938851E+00 (-1/4)Del**2(Rho)) -0.1734713E+00 Diamond 0.1716738E+01 Metallicity 0.5583958E+01 Ellipticity 0.4622071E-01 Gb(Abramov) 0.2770902E+00 Vb(Abramov) -0.3807092E+00 Hb(Abramov) -0.1036190E+00 Ex_ueg -0.7384906E-01 Ec_ueg -0.1024730E-01 Delta_ex -0.7767044E-01 Delta_ec 0.1674242E-01 Delta_et -0.2272766E+00 Pxc 0.7206683E+01 Qxc -0.4639139E+01 3,-1 160 3 +3 2.333453 0.066280 0.010501 Rho 0.4136473E-02 |GRAD(Rho)| 0.7907414E-16 GRAD(Rho)x 0.4246553E-16 GRAD(Rho)y -0.6665753E-16 GRAD(Rho)z -0.2484455E-17 Laplacian 0.1691927E-01 (-1/4)Del**2(Rho)) -0.4229817E-02 Diamond 0.1253070E-03 Metallicity 0.4341254E+00 Ellipticity -0.3194219E+00 Gb(Abramov) 0.3125923E-02 Vb(Abramov) -0.2022029E-02 Hb(Abramov) 0.1103894E-02 Ex_ueg -0.4904092E-03 Ec_ueg -0.1099431E-03 Delta_ex -0.5955775E-03 Delta_ec 0.1473988E-03 Delta_et -0.9144933E-03 Pxc 0.4460573E+01 Qxc -0.4040587E+01 3,+3 161 3 -1 3.206598 2.372925 2.247977 Rho 0.2242153E+00 |GRAD(Rho)| 0.2668095E-15 GRAD(Rho)x -0.2300135E-15 GRAD(Rho)y 0.1317306E-15 GRAD(Rho)z 0.3046608E-16 Laplacian 0.8018962E+00 (-1/4)Del**2(Rho)) -0.2004740E+00 Diamond 0.2630851E+01 Metallicity 0.7111106E+01 Ellipticity 0.6617889E-02 Gb(Abramov) 0.3712480E+00 Vb(Abramov) -0.5420221E+00 Hb(Abramov) -0.1707740E+00 Ex_ueg -0.1006017E+00 Ec_ueg -0.1335479E-01 Delta_ex -0.9528874E-01 Delta_ec 0.1825391E-01 Delta_et -0.2528549E+00 Pxc 0.7533006E+01 Qxc -0.5220183E+01 3,-1 162 3 -1 3.000007 -0.797789 2.002916 Rho 0.7061202E-01 |GRAD(Rho)| 0.4469490E-14 GRAD(Rho)x 0.1768003E-14 GRAD(Rho)y 0.4053801E-14 GRAD(Rho)z 0.6459092E-15 Laplacian 0.2842556E+00 (-1/4)Del**2(Rho)) -0.7106389E-01 Diamond 0.2300553E+00 Metallicity 0.2924390E+01 Ellipticity 0.7956920E-02 Gb(Abramov) 0.8201235E-01 Vb(Abramov) -0.9296081E-01 Hb(Abramov) -0.1094846E-01 Ex_ueg -0.2155543E-01 Ec_ueg -0.3582484E-02 Delta_ex -0.2554094E-01 Delta_ec 0.8431018E-02 Delta_et -0.9701958E-01 Pxc 0.6016894E+01 Qxc -0.3029402E+01 3,-1 163 3 -1 2.997283 -0.808108 -2.008794 Rho 0.7804126E-01 |GRAD(Rho)| 0.2744251E-15 GRAD(Rho)x -0.4174009E-16 GRAD(Rho)y -0.2704424E-15 GRAD(Rho)z -0.2068433E-16 Laplacian 0.3157113E+00 (-1/4)Del**2(Rho)) -0.7892783E-01 Diamond 0.2876986E+00 Metallicity 0.3110738E+01 Ellipticity 0.8618265E-02 Gb(Abramov) 0.9353919E-01 Vb(Abramov) -0.1081506E+00 Hb(Abramov) -0.1461136E-01 Ex_ueg -0.2463112E-01 Ec_ueg -0.4015354E-02 Delta_ex -0.2899178E-01 Delta_ec 0.9142128E-02 Delta_et -0.1076200E+00 Pxc 0.6134233E+01 Qxc -0.3171229E+01 3,-1 164 3 -1 -3.022843 -2.123247 -0.809509 Rho 0.1261935E+00 |GRAD(Rho)| 0.4302735E-13 GRAD(Rho)x -0.2402658E-13 GRAD(Rho)y 0.2817659E-13 GRAD(Rho)z 0.2191246E-13 Laplacian 0.4717619E+00 (-1/4)Del**2(Rho)) -0.1179405E+00 Diamond 0.7830285E+00 Metallicity 0.4637517E+01 Ellipticity 0.4608395E-01 Gb(Abramov) 0.1697855E+00 Vb(Abramov) -0.2216305E+00 Hb(Abramov) -0.5184501E-01 Ex_ueg -0.4674853E-01 Ec_ueg -0.6937464E-02 Delta_ex -0.4865783E-01 Delta_ec 0.1262184E-01 Delta_et -0.1638778E+00 Pxc 0.6738561E+01 Qxc -0.3855050E+01 3,-1 165 3 -1 -3.261046 -2.179087 2.291659 Rho 0.2176497E+00 |GRAD(Rho)| 0.9285049E-12 GRAD(Rho)x 0.7165940E-12 GRAD(Rho)y 0.7045766E-13 GRAD(Rho)z -0.5862167E-12 Laplacian 0.8076910E+00 (-1/4)Del**2(Rho)) -0.2019227E+00 Diamond 0.2539882E+01 Metallicity 0.6718896E+01 Ellipticity 0.1962966E-01 Gb(Abramov) 0.3607315E+00 Vb(Abramov) -0.5195402E+00 Hb(Abramov) -0.1588087E+00 Ex_ueg -0.9669315E-01 Ec_ueg -0.1290780E-01 Delta_ex -0.9514084E-01 Delta_ec 0.1835840E-01 Delta_et -0.2531467E+00 Pxc 0.7491065E+01 Qxc -0.5182414E+01 3,-1 166 3 -1 -2.995635 2.070070 -0.793484 Rho 0.1398110E+00 |GRAD(Rho)| 0.1299978E-14 GRAD(Rho)x -0.3205850E-16 GRAD(Rho)y -0.1098378E-14 GRAD(Rho)z -0.6946077E-15 Laplacian 0.5445626E+00 (-1/4)Del**2(Rho)) -0.1361406E+00 Diamond 0.1019688E+01 Metallicity 0.4765785E+01 Ellipticity 0.4316599E-01 Gb(Abramov) 0.1988966E+00 Vb(Abramov) -0.2616525E+00 Hb(Abramov) -0.6275595E-01 Ex_ueg -0.5359286E-01 Ec_ueg -0.7794498E-02 Delta_ex -0.5754369E-01 Delta_ec 0.1416624E-01 Delta_et -0.1868916E+00 Pxc 0.6875730E+01 Qxc -0.4062029E+01 3,-1 167 3 -1 -2.996648 2.062719 0.811040 Rho 0.1235850E+00 |GRAD(Rho)| 0.4945357E-15 GRAD(Rho)x -0.1183779E-15 GRAD(Rho)y 0.9520650E-16 GRAD(Rho)z -0.4706251E-15 Laplacian 0.4768137E+00 (-1/4)Del**2(Rho)) -0.1192034E+00 Diamond 0.7611044E+00 Metallicity 0.4431394E+01 Ellipticity 0.4636108E-01 Gb(Abramov) 0.1675085E+00 Vb(Abramov) -0.2158136E+00 Hb(Abramov) -0.4830509E-01 Ex_ueg -0.4546451E-01 Ec_ueg -0.6774693E-02 Delta_ex -0.4879597E-01 Delta_ec 0.1257371E-01 Delta_et -0.1622527E+00 Pxc 0.6710932E+01 Qxc -0.3880793E+01 3,-1 168 3 -1 -3.197696 2.211985 2.319767 Rho 0.2207472E+00 |GRAD(Rho)| 0.3741742E-14 GRAD(Rho)x 0.2602139E-14 GRAD(Rho)y 0.2322713E-14 GRAD(Rho)z -0.1354440E-14 Laplacian 0.8070670E+00 (-1/4)Del**2(Rho)) -0.2017667E+00 Diamond 0.2581992E+01 Metallicity 0.6884337E+01 Ellipticity 0.7339931E-02 Gb(Abramov) 0.3660162E+00 Vb(Abramov) -0.5302657E+00 Hb(Abramov) -0.1642495E+00 Ex_ueg -0.9853229E-01 Ec_ueg -0.1311838E-01 Delta_ex -0.9541854E-01 Delta_ec 0.1827663E-01 Delta_et -0.2522478E+00 Pxc 0.7511009E+01 Qxc -0.5220794E+01 3,-1 169 3 -1 -3.195087 2.213626 -2.303331 Rho 0.2315447E+00 |GRAD(Rho)| 0.4609433E-14 GRAD(Rho)x -0.3314569E-14 GRAD(Rho)y -0.2679714E-14 GRAD(Rho)z -0.1754890E-14 Laplacian 0.8601865E+00 (-1/4)Del**2(Rho)) -0.2150466E+00 Diamond 0.2904232E+01 Metallicity 0.6994314E+01 Ellipticity 0.7535752E-02 Gb(Abramov) 0.3940484E+00 Vb(Abramov) -0.5730501E+00 Hb(Abramov) -0.1790017E+00 Ex_ueg -0.1050102E+00 Ec_ueg -0.1385658E-01 Delta_ex -0.1029080E+00 Delta_ec 0.1910913E-01 Delta_et -0.2639278E+00 Pxc 0.7578363E+01 Qxc -0.5385280E+01 3,-1 170 3 -1 -3.017277 -2.138163 0.797728 Rho 0.1319974E+00 |GRAD(Rho)| 0.7149544E-16 GRAD(Rho)x 0.6374431E-16 GRAD(Rho)y -0.3150073E-16 GRAD(Rho)z 0.7480995E-17 Laplacian 0.4937944E+00 (-1/4)Del**2(Rho)) -0.1234486E+00 Diamond 0.8637849E+00 Metallicity 0.4775393E+01 Ellipticity 0.5333505E-01 Gb(Abramov) 0.1805516E+00 Vb(Abramov) -0.2376547E+00 Hb(Abramov) -0.5710305E-01 Ex_ueg -0.4963698E-01 Ec_ueg -0.7301249E-02 Delta_ex -0.5146791E-01 Delta_ec 0.1304341E-01 Delta_et -0.1705656E+00 Pxc 0.6798424E+01 Qxc -0.3945895E+01 3,-1 171 3 -1 0.422895 -0.102507 -0.657740 Rho 0.1782261E+00 |GRAD(Rho)| 0.6852715E-16 GRAD(Rho)x 0.6591949E-16 GRAD(Rho)y 0.7047314E-17 GRAD(Rho)z 0.1734723E-16 Laplacian 0.4621611E+00 (-1/4)Del**2(Rho)) -0.1155403E+00 Diamond 0.1177688E+01 Metallicity 0.8415994E+01 Ellipticity 0.2794596E-02 Gb(Abramov) 0.2390912E+00 Vb(Abramov) -0.3626422E+00 Hb(Abramov) -0.1235510E+00 Ex_ueg -0.7407647E-01 Ec_ueg -0.1027426E-01 Delta_ex -0.5200836E-01 Delta_ec 0.1158382E-01 Delta_et -0.1585895E+00 Pxc 0.7209906E+01 Qxc -0.4489743E+01 3,-1 172 3 -1 0.423952 -0.108959 0.657359 Rho 0.1790966E+00 |GRAD(Rho)| 0.1431755E-15 GRAD(Rho)x 0.9020562E-16 GRAD(Rho)y 0.6017322E-17 GRAD(Rho)z 0.1110223E-15 Laplacian 0.4655491E+00 (-1/4)Del**2(Rho)) -0.1163873E+00 Diamond 0.1192304E+01 Metallicity 0.8422864E+01 Ellipticity 0.4953452E-02 Gb(Abramov) 0.2409772E+00 Vb(Abramov) -0.3655671E+00 Hb(Abramov) -0.1245899E+00 Ex_ueg -0.7455923E-01 Ec_ueg -0.1033146E-01 Delta_ex -0.5244576E-01 Delta_ec 0.1164030E-01 Delta_et -0.1594136E+00 Pxc 0.7216717E+01 Qxc -0.4505531E+01 3,-1 173 3 -1 0.844728 0.719150 -3.496840 Rho 0.1293170E+00 |GRAD(Rho)| 0.2465546E-15 GRAD(Rho)x -0.2161357E-15 GRAD(Rho)y -0.1138954E-15 GRAD(Rho)z 0.3320200E-16 Laplacian 0.5035494E+00 (-1/4)Del**2(Rho)) -0.1258873E+00 Diamond 0.8443243E+00 Metallicity 0.4525473E+01 Ellipticity 0.5681742E-01 Gb(Abramov) 0.1788748E+00 Vb(Abramov) -0.2318623E+00 Hb(Abramov) -0.5298750E-01 Ex_ueg -0.4829765E-01 Ec_ueg -0.7132966E-02 Delta_ex -0.5204302E-01 Delta_ec 0.1303943E-01 Delta_et -0.1693441E+00 Pxc 0.6771047E+01 Qxc -0.3991203E+01 3,-1 174 3 +3 1.952668 -0.000188 -2.719705 Rho 0.1161316E-01 |GRAD(Rho)| 0.1489107E-12 GRAD(Rho)x 0.1321398E-13 GRAD(Rho)y 0.1363674E-12 GRAD(Rho)z 0.5834125E-13 Laplacian 0.5373177E-01 (-1/4)Del**2(Rho)) -0.1343294E-01 Diamond 0.1303163E-02 Metallicity 0.7637757E+00 Ellipticity -0.8281932E+00 Gb(Abramov) 0.1066525E-01 Vb(Abramov) -0.7897566E-02 Hb(Abramov) 0.2767688E-02 Ex_ueg -0.1942311E-02 Ec_ueg -0.4417405E-03 Delta_ex -0.2390443E-02 Delta_ec 0.2903487E-03 Delta_et -0.2477919E-02 Pxc 0.4396950E+01 Qxc -0.8233009E+01 3,+3 175 3 -1 3.275949 -2.290138 -2.232513 Rho 0.2178547E+00 |GRAD(Rho)| 0.6022588E-14 GRAD(Rho)x -0.6886852E-15 GRAD(Rho)y 0.2056488E-14 GRAD(Rho)z 0.5618552E-14 Laplacian 0.7980487E+00 (-1/4)Del**2(Rho)) -0.1995122E+00 Diamond 0.2519035E+01 Metallicity 0.6810756E+01 Ellipticity 0.1701107E-01 Gb(Abramov) 0.3594796E+00 Vb(Abramov) -0.5194469E+00 Hb(Abramov) -0.1599674E+00 Ex_ueg -0.9681462E-01 Ec_ueg -0.1292172E-01 Delta_ex -0.9406805E-01 Delta_ec 0.1820608E-01 Delta_et -0.2513398E+00 Pxc 0.7492394E+01 Qxc -0.5166847E+01 3,-1 176 3 -1 3.281133 -2.271793 2.208457 Rho 0.2174294E+00 |GRAD(Rho)| 0.1050536E-13 GRAD(Rho)x -0.1572581E-14 GRAD(Rho)y 0.3449416E-14 GRAD(Rho)z -0.9797501E-14 Laplacian 0.7980104E+00 (-1/4)Del**2(Rho)) -0.1995026E+00 Diamond 0.2512086E+01 Metallicity 0.6788937E+01 Ellipticity 0.1683708E-01 Gb(Abramov) 0.3587368E+00 Vb(Abramov) -0.5179710E+00 Hb(Abramov) -0.1592342E+00 Ex_ueg -0.9656271E-01 Ec_ueg -0.1289284E-01 Delta_ex -0.9401056E-01 Delta_ec 0.1820537E-01 Delta_et -0.2512617E+00 Pxc 0.7489636E+01 Qxc -0.5163892E+01 3,-1 177 3 -1 2.811619 -1.694938 0.861549 Rho 0.1355919E+00 |GRAD(Rho)| 0.3318862E-15 GRAD(Rho)x -0.5192651E-16 GRAD(Rho)y 0.8585187E-16 GRAD(Rho)z -0.3163566E-15 Laplacian 0.5440598E+00 (-1/4)Del**2(Rho)) -0.1360149E+00 Diamond 0.9696587E+00 Metallicity 0.4532691E+01 Ellipticity 0.1055200E-01 Gb(Abramov) 0.1934289E+00 Vb(Abramov) -0.2508429E+00 Hb(Abramov) -0.5741397E-01 Ex_ueg -0.5144739E-01 Ec_ueg -0.7527669E-02 Delta_ex -0.5692496E-01 Delta_ec 0.1400873E-01 Delta_et -0.1834455E+00 Pxc 0.6834439E+01 Qxc -0.4063535E+01 3,-1 178 3 -1 3.201714 2.358808 -2.226511 Rho 0.2347839E+00 |GRAD(Rho)| 0.5807264E-13 GRAD(Rho)x -0.3709657E-13 GRAD(Rho)y -0.3980529E-13 GRAD(Rho)z 0.2029323E-13 Laplacian 0.8542558E+00 (-1/4)Del**2(Rho)) -0.2135640E+00 Diamond 0.2948991E+01 Metallicity 0.7207848E+01 Ellipticity 0.7181123E-02 Gb(Abramov) 0.3989321E+00 Vb(Abramov) -0.5843002E+00 Hb(Abramov) -0.1853681E+00 Ex_ueg -0.1069735E+00 Ec_ueg -0.1407928E-01 Delta_ex -0.1026576E+00 Delta_ec 0.1905836E-01 Delta_et -0.2640538E+00 Pxc 0.7597934E+01 Qxc -0.5386487E+01 3,-1 179 3 -1 2.812777 -1.692014 -0.879815 Rho 0.1238773E+00 |GRAD(Rho)| 0.1114876E-13 GRAD(Rho)x -0.1806091E-14 GRAD(Rho)y -0.1727742E-14 GRAD(Rho)z -0.1086498E-13 Laplacian 0.4960062E+00 (-1/4)Del**2(Rho)) -0.1240016E+00 Diamond 0.7958955E+00 Metallicity 0.4276734E+01 Ellipticity 0.9652726E-02 Gb(Abramov) 0.1710546E+00 Vb(Abramov) -0.2181077E+00 Hb(Abramov) -0.4705310E-01 Ex_ueg -0.4560797E-01 Ec_ueg -0.6792912E-02 Delta_ex -0.5081334E-01 Delta_ec 0.1311621E-01 Delta_et -0.1693967E+00 Pxc 0.6714052E+01 Qxc -0.3874087E+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 76 133 113 104 129 118 130 172 103 171 111 109 102 112 114 173 125 120 128 127 105 106 132 123 177 153 162 145 176 142 147 148 159 154 178 80 66 78 166 86 169 76 62 59 170 90 165 60 61 74 164 89 94 71 67 81 167 88 168 124 151 150 157 155 161 122 179 158 163 121 175 110 143 64 119 101 107 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 18 21 21 22 25 28 13 24 26 33 39 41 13 14 15 16 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 42 20 28 36 24 27 37 2.358559 1.959080 1.927858 1.965290 1.924032 1.741434 1.716128 1.697455 1.718253 1.721664 2.366865 1.929065 1.947766 1.940815 1.960231 1.740799 2.454312 1.929271 1.958356 1.902766 1.934383 1.745266 2.396948 1.932368 1.743192 2.209147 2.024458 1.754783 2.484912 1.934517 1.945265 1.859592 1.967120 1.751856 2.371397 1.824599 1.947417 1.953445 2.012637 1.756819 2.328320 2.252535 1.987021 1.954274 1.748254 1.754212 2.344669 2.205688 1.982197 1.972516 1.751407 1.753777 2.404581 1.806777 1.937744 1.979722 2.059676 1.748670 2.524515 1.963106 1.975512 1.841425 1.962214 1.742912 2.413145 1.968459 1.745867 2.168278 1.999770 1.753966 3.285037 2.987128 3.333556 3.215800 3.210271 3.321793 2.360222 1.959776 1.928405 1.966012 1.924735 1.741459 1.716161 1.697498 1.718286 1.721676 2.368522 1.929656 1.948403 1.941551 1.960983 1.740822 2.456161 1.929868 1.958944 1.903371 1.935056 1.745287 2.398951 1.932996 1.743265 2.209917 2.025122 1.754818 2.486568 1.934995 1.945767 1.859975 1.967657 1.751866 2.372979 1.824935 1.947804 1.953950 2.013202 1.756832 2.330853 2.253021 1.987661 1.955014 1.748287 1.754246 2.347109 2.206223 1.982833 1.973261 1.751453 1.753815 2.406007 1.807191 1.938249 1.980458 2.060404 1.748694 2.526070 1.963712 1.976293 1.841928 1.962887 1.742933 2.414852 1.969074 1.745957 2.168982 2.000520 1.754004 3.289549 2.994749 3.336009 3.218347 3.213020 3.324220 32 28 28 28 29 25 21 23 21 22 28 27 28 28 24 23 31 28 27 26 28 25 31 24 24 29 25 24 32 27 28 24 27 22 30 24 26 25 27 22 31 28 27 24 24 22 30 28 27 24 24 24 31 24 29 24 30 23 34 27 28 22 28 24 31 25 24 25 26 22 35 33 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 Mo As Mo Mo Mo W W Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.2864 2.3831 2.2967 2.2893 2.1888 2.4013 2.4008 2.2108 2.2056 2.2955 2.2523 2.1856 -1.1133 -1.0270 -1.1164 -1.1103 -0.8602 -0.9491 -0.9131 -0.9414 -0.7018 -0.9144 -0.9263 -0.9166 -0.9339 -0.9274 -0.9364 -0.7022 -0.8901 -0.9490 -0.9485 -0.9579 -0.9187 -0.9293 -0.9228 -0.7390 -0.7391 -0.9478 -0.9250 -0.9423 -0.7477 -0.7814 -0.7481 -0.7724 -0.7819 -0.8356 -0.8458 -0.7721 -0.7737 -0.7750 -0.7631 1.9280 0.8406 1.9437 1.9532 1.9732 2.1008 2.1002 1.9880 1.9936 1.9299 1.9491 1.9802 1.9399 1.9482 1.9390 1.9353 1.9568 1.9392 1.9442 1.9335 1.9787 1.9376 1.9380 1.9384 1.9345 1.9389 1.9343 1.9791 1.9533 1.9429 1.9449 1.9424 1.9433 1.9432 1.9442 1.9673 1.9685 1.9429 1.9459 1.9414 1.9695 1.9653 1.9699 1.9668 1.9652 1.9584 1.9567 1.9651 1.9646 1.9662 1.9686 6.1030 1.2234 6.0952 6.0888 6.1211 6.1064 6.1025 6.1020 6.1068 6.0885 6.1090 6.1220 5.1372 5.0435 5.1412 5.1388 4.8753 4.9845 4.9396 4.9807 4.6904 4.9521 4.9639 4.9526 4.9720 4.9643 4.9756 4.6903 4.9104 4.9793 4.9756 4.9866 4.9486 4.9597 4.9527 4.7417 4.7403 4.9777 4.9527 4.9723 4.7469 4.7867 4.7467 4.7749 4.7873 4.8438 4.8566 4.7775 4.7795 4.7788 4.7633 3.6826 10.5528 3.6644 3.6687 3.7169 3.3622 3.3668 3.6992 3.6940 3.6860 3.6896 3.7122 0.0362 0.0352 0.0362 0.0362 0.0281 0.0253 0.0293 0.0271 0.0326 0.0247 0.0244 0.0256 0.0274 0.0242 0.0266 0.0328 0.0264 0.0269 0.0280 0.0288 0.0268 0.0264 0.0259 0.0299 0.0304 0.0273 0.0264 0.0286 0.0314 0.0294 0.0314 0.0306 0.0294 0.0334 0.0325 0.0295 0.0295 0.0301 0.0312 0.0000 0.0000 0.0000 0.0000 0.0000 14.0294 14.0298 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 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 Mo As Mo Mo Mo W W Mo Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 3.174459 2.309640 3.173795 3.175232 3.134526 2.495879 2.491477 3.152443 3.155481 3.161701 3.165040 3.136662 -1.202548 -1.128867 -1.171482 -1.165290 -1.146883 -1.220184 -1.020899 -1.089582 -0.992928 -1.207220 -1.202907 -1.204703 -1.091907 -1.200786 -1.094512 -0.991201 -1.157605 -1.194632 -1.041478 -1.083445 -1.185392 -1.186658 -1.188042 -1.014234 -1.012633 -1.096707 -1.178934 -1.079489 -1.020653 -1.062113 -1.022259 -1.050623 -1.060160 -0.879795 -0.892543 -1.045567 -1.049212 -1.052978 -1.039284 2.373785 1.715148 2.365360 2.361154 2.354061 1.941628 1.934686 2.364947 2.356640 2.359330 2.362492 2.347781 -0.881773 -0.837234 -0.833576 -0.829300 -0.911031 -0.931809 -0.812630 -0.832372 -0.783106 -0.931284 -0.922451 -0.922349 -0.823078 -0.920705 -0.825527 -0.778463 -0.963569 -0.960957 -0.887089 -0.886649 -0.956798 -0.966983 -0.981202 -0.809538 -0.803256 -0.903461 -0.961971 -0.880928 -0.801186 -0.858187 -0.810410 -0.841707 -0.851758 -0.782481 -0.793315 -0.846039 -0.851814 -0.838430 -0.822596 2.469558 1.693325 2.460906 2.453664 2.425142 2.046808 2.035648 2.460689 2.456888 2.442090 2.453237 2.426273 -0.904507 -0.862407 -0.868251 -0.861968 -0.955524 -1.022742 -0.876349 -0.930081 -0.790937 -1.017839 -1.031922 -0.999189 -0.904351 -1.035539 -0.914992 -0.786524 -0.982402 -1.018652 -0.911487 -0.939707 -0.991804 -1.020029 -1.015361 -0.793691 -0.787441 -0.940665 -1.019110 -0.918416 -0.759198 -0.828498 -0.769250 -0.804588 -0.817781 -0.743938 -0.749935 -0.833501 -0.838317 -0.794424 -0.782911 0.86741464 -2.85443653 1.51085351 3.34408349 -25.18111267 -0.66708242 -0.10387359 17.94010693 2.78217198 7.24100573 -323.5391 406.3099 -108.9268 -355.0920 -58.3909 -439.6389 Jun12-2024 13:54:31 Nodes: 1 Procs: 1 Jun12-2024 13:54:35 Nodes: 1 Procs: 1 0 Jun12-2024 13:54:39 Nodes: 1 Procs: 1 Jun12-2024 13:54:42 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun12-2024 13:54:45 Nodes: 1 Procs: 1 Jun12-2024 13:54:49 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun12-2024 13:54:52 Nodes: 1 Procs: 1 Jun12-2024 13:54:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun12-2024 13:55:02 Nodes: 1 Procs: 5 *** (NO TITLE) *** -7 -15.58792007 -15.97169338 -15.83830809 -16.02530693 -16.11445895 -16.13873497 -16.14516215 -16.14775024 -16.15205790 -16.15279365 -16.15324005 -16.15480263 -16.15508818 -16.15576688 -16.15597136 -16.15613908 -16.15616433 -16.15619776 -16.15624460 -16.15629521 -16.15639276 -16.15641720 -16.15643131 GEOMETRY CONVERGED