ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:36:39 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.70 0.03 1.20 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 Jun10-2024 17:36:39 Nodes: 1 Procs: 1 Jun10-2024 17:36:40 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:36:42 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.44 0.06 1.97 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 Jun10-2024 17:36:39 Nodes: 1 Procs: 1 Jun10-2024 17:36:40 Nodes: 1 Procs: 1 0 Jun10-2024 17:36:42 Nodes: 1 Procs: 1 Jun10-2024 17:36:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:36:46 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.35 0.06 2.01 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 Jun10-2024 17:36:39 Nodes: 1 Procs: 1 Jun10-2024 17:36:40 Nodes: 1 Procs: 1 0 Jun10-2024 17:36:42 Nodes: 1 Procs: 1 Jun10-2024 17:36:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 17:36:46 Nodes: 1 Procs: 1 Jun10-2024 17:36:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:36:50 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.90 0.05 1.28 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 Jun10-2024 17:36:39 Nodes: 1 Procs: 1 Jun10-2024 17:36:40 Nodes: 1 Procs: 1 0 Jun10-2024 17:36:42 Nodes: 1 Procs: 1 Jun10-2024 17:36:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 17:36:46 Nodes: 1 Procs: 1 Jun10-2024 17:36:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 17:36:50 Nodes: 1 Procs: 1 Jun10-2024 17:36:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:36:53 Hydrogen (TZP) c1-3 c1-3 c1-3 c1-3 c1-3 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.43 0.06 2.93 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 Jun10-2024 17:36:39 Nodes: 1 Procs: 1 Jun10-2024 17:36:40 Nodes: 1 Procs: 1 0 Jun10-2024 17:36:42 Nodes: 1 Procs: 1 Jun10-2024 17:36:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 17:36:46 Nodes: 1 Procs: 1 Jun10-2024 17:36:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 17:36:50 Nodes: 1 Procs: 1 Jun10-2024 17:36:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 17:36:53 Nodes: 1 Procs: 1 Jun10-2024 17:36:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 17:37:00 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2193.7381999999993 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0.3190225E+03 3,-3 14 3 -3 -1.083371 -0.985833 -1.015706 Rho 0.3190804E+03 3,-3 15 3 -3 0.954755 0.939334 -0.984200 Rho 0.3190223E+03 3,-3 16 3 -3 -0.973587 0.958157 1.004549 Rho 0.3189954E+03 3,-3 17 3 -3 -3.029555 -1.144365 1.218407 Rho 0.3189433E+03 3,-3 18 3 -3 3.076706 -1.119039 -1.118238 Rho 0.3189934E+03 3,-3 19 3 -3 -3.018890 1.102053 -1.105233 Rho 0.3189425E+03 3,-3 20 3 -3 3.003753 1.210649 1.213275 Rho 0.3190313E+03 3,-3 21 3 -3 1.371689 -1.249867 -3.099359 Rho 0.3188253E+03 3,-3 22 3 -3 1.142114 1.194049 2.998809 Rho 0.3189584E+03 3,-3 23 3 -3 -1.148580 1.074720 -3.014861 Rho 0.3188852E+03 3,-3 24 3 -3 -1.145050 -1.128914 3.030675 Rho 0.3188822E+03 3,-3 25 3 -3 -1.177214 2.944165 -1.175648 Rho 0.3189315E+03 3,-3 26 3 -3 -1.180002 -2.987980 1.164185 Rho 0.3189425E+03 3,-3 27 3 -3 1.101426 3.050912 1.111544 Rho 0.3189405E+03 3,-3 28 3 -3 1.240909 -3.094749 -1.177444 Rho 0.3193029E+03 3,-3 29 3 -3 3.429259 -1.457624 1.569958 Rho 0.3191867E+03 3,-3 30 3 -3 -3.534349 -1.516357 -1.471939 Rho 0.3190767E+03 3,-3 31 3 -3 3.428722 1.546713 -1.478576 Rho 0.3191086E+03 3,-3 32 3 -3 -3.442931 1.495619 1.548199 Rho 0.3190411E+03 3,-3 33 3 -3 1.461126 -1.486135 3.451136 Rho 0.3190458E+03 3,-3 34 3 -3 1.529506 1.461705 -3.417588 Rho 0.3190469E+03 3,-3 35 3 -3 -1.529630 1.561965 3.424698 Rho 0.3189753E+03 3,-3 36 3 -3 -1.907596 -1.611306 -3.538309 Rho 0.3187468E+03 3,-3 37 3 -3 -1.624799 -3.555817 -1.393093 Rho 0.3187998E+03 3,-3 38 3 -3 -1.544579 3.412317 1.498330 Rho 0.3190620E+03 3,-3 39 3 -3 1.548729 -3.398508 1.559666 Rho 0.3190189E+03 3,-3 40 3 -3 1.507609 3.389296 -1.535384 Rho 0.3190447E+03 3,-3 41 3 -3 -0.227061 -3.762426 3.710033 Rho 0.3193598E+03 3,-3 42 3 -3 3.894780 -0.101334 -3.721689 Rho 0.3194946E+03 3,-3 43 3 -3 -0.198331 3.688594 -3.737361 Rho 0.3193673E+03 3,-3 44 3 -3 0.226166 3.776653 3.717415 Rho 0.3193541E+03 3,-3 45 3 -3 3.784172 -3.750417 -0.202502 Rho 0.3194635E+03 3,-3 46 3 -3 3.744984 3.766036 0.253017 Rho 0.3195031E+03 3,-3 47 3 -3 -3.781085 3.718286 -0.204098 Rho 0.3195066E+03 3,-3 48 3 -3 -3.906126 -3.662360 0.277852 Rho 0.3195049E+03 3,-3 49 3 -3 -3.803670 0.378832 -3.685571 Rho 0.3193578E+03 3,-3 50 3 -3 -3.712900 -0.186981 3.824915 Rho 0.3193638E+03 3,-3 51 3 -3 3.728784 0.175887 3.823251 Rho 0.3194946E+03 3,-3 52 3 -3 -1.598542 -2.354709 -2.959300 Rho 0.4475838E+00 3,-3 53 3 -3 -0.650728 -3.424212 -1.250563 Rho 0.4468852E+00 3,-3 54 3 -3 1.173217 -1.970296 -2.425418 Rho 0.4322144E+00 3,-3 55 3 +1 -0.554866 0.521648 -1.664578 Rho 0.9596252E-02 |GRAD(Rho)| 0.9476231E-16 GRAD(Rho)x 0.4598902E-16 GRAD(Rho)y -0.4824084E-16 GRAD(Rho)z 0.6736265E-16 Laplacian 0.3746661E-01 (-1/4)Del**2(Rho)) -0.9366652E-02 Diamond 0.1164510E-02 Metallicity 0.7970242E+00 Ellipticity -0.1492645E+01 Gb(Abramov) 0.7488676E-02 Vb(Abramov) -0.5610700E-02 Hb(Abramov) 0.1877976E-02 Ex_ueg -0.1506100E-02 Ec_ueg -0.3497727E-03 Delta_ex -0.1760088E-02 Delta_ec 0.5273352E-03 Delta_et -0.3706860E-02 Pxc 0.4305940E+01 Qxc -0.3337702E+01 3,+1 56 3 +3 0.992548 -1.170174 -1.227889 Rho 0.4348263E-02 |GRAD(Rho)| 0.2715923E-15 GRAD(Rho)x 0.2663353E-15 GRAD(Rho)y 0.5204106E-16 GRAD(Rho)z 0.1093564E-16 Laplacian 0.1675207E-01 (-1/4)Del**2(Rho)) -0.4188017E-02 Diamond 0.1300930E-03 Metallicity 0.4765090E+00 Ellipticity -0.5030258E+00 Gb(Abramov) 0.3124616E-02 Vb(Abramov) -0.2061215E-02 Hb(Abramov) 0.1063401E-02 Ex_ueg -0.5241708E-03 Ec_ueg -0.1189746E-03 Delta_ex -0.5942837E-03 Delta_ec 0.1406059E-03 Delta_et -0.8906578E-03 Pxc 0.4405736E+01 Qxc -0.4226593E+01 3,+3 57 3 +1 -2.931228 0.174407 0.243595 Rho 0.5611215E-02 |GRAD(Rho)| 0.3099178E-16 GRAD(Rho)x -0.4785204E-17 GRAD(Rho)y -0.2510501E-16 GRAD(Rho)z 0.1753084E-16 Laplacian 0.2347131E-01 (-1/4)Del**2(Rho)) -0.5867827E-02 Diamond 0.5839658E-03 Metallicity 0.5202005E+00 Ellipticity -0.2207824E+01 Gb(Abramov) 0.4420626E-02 Vb(Abramov) -0.2973424E-02 Hb(Abramov) 0.1447201E-02 Ex_ueg -0.7364235E-03 Ec_ueg -0.1733100E-03 Delta_ex -0.1149496E-02 Delta_ec 0.6606023E-03 Delta_et -0.3745181E-02 Pxc 0.4249170E+01 Qxc -0.1740072E+01 3,+1 58 3 +1 0.481187 -0.775130 -1.768742 Rho 0.5760551E-02 |GRAD(Rho)| 0.6527760E-17 GRAD(Rho)x 0.2333311E-17 GRAD(Rho)y -0.2749911E-17 GRAD(Rho)z -0.5441075E-17 Laplacian 0.2234214E-01 (-1/4)Del**2(Rho)) -0.5585535E-02 Diamond 0.4838947E-03 Metallicity 0.5709461E+00 Ellipticity -0.1772121E+01 Gb(Abramov) 0.4255196E-02 Vb(Abramov) -0.2924858E-02 Hb(Abramov) 0.1330338E-02 Ex_ueg -0.7626707E-03 Ec_ueg -0.1797878E-03 Delta_ex -0.1029356E-02 Delta_ec 0.5025523E-03 Delta_et -0.2927440E-02 Pxc 0.4242060E+01 Qxc -0.2048257E+01 3,+1 59 3 +1 -2.219351 -2.204331 -2.045853 Rho 0.1084672E-01 |GRAD(Rho)| 0.1413867E-16 GRAD(Rho)x 0.9494695E-17 GRAD(Rho)y -0.4474126E-17 GRAD(Rho)z -0.9472859E-17 Laplacian 0.4823233E-01 (-1/4)Del**2(Rho)) -0.1205808E-01 Diamond 0.1536907E-02 Metallicity 0.7593452E+00 Ellipticity -0.1258821E+01 Gb(Abramov) 0.9564764E-02 Vb(Abramov) -0.7071444E-02 Hb(Abramov) 0.2493320E-02 Ex_ueg -0.1773304E-02 Ec_ueg -0.4065950E-03 Delta_ex -0.2260492E-02 Delta_ec 0.5399437E-03 Delta_et -0.4018917E-02 Pxc 0.4361353E+01 Qxc -0.4186532E+01 3,+1 60 3 -1 -1.894759 -2.740384 0.559236 Rho 0.1045340E+00 |GRAD(Rho)| 0.9081992E-16 GRAD(Rho)x 0.7692414E-16 GRAD(Rho)y -0.1983921E-16 GRAD(Rho)z 0.4401522E-16 Laplacian 0.4315141E+00 (-1/4)Del**2(Rho)) -0.1078785E+00 Diamond 0.5628011E+00 Metallicity 0.3704369E+01 Ellipticity 0.1602516E-01 Gb(Abramov) 0.1385227E+00 Vb(Abramov) -0.1691668E+00 Hb(Abramov) -0.3064413E-01 Ex_ueg -0.3636877E-01 Ec_ueg -0.5600516E-02 Delta_ex -0.4243577E-01 Delta_ec 0.1181812E-01 Delta_et -0.1479576E+00 Pxc 0.6493825E+01 Qxc -0.3590739E+01 3,-1 61 3 +3 1.971186 -1.947002 1.963827 Rho 0.1185216E-01 |GRAD(Rho)| 0.4316119E-13 GRAD(Rho)x 0.2376476E-13 GRAD(Rho)y 0.2404072E-13 GRAD(Rho)z 0.2683595E-13 Laplacian 0.5450035E-01 (-1/4)Del**2(Rho)) -0.1362509E-01 Diamond 0.1505550E-02 Metallicity 0.7790100E+00 Ellipticity -0.9702712E+00 Gb(Abramov) 0.1085240E-01 Vb(Abramov) -0.8079722E-02 Hb(Abramov) 0.2772683E-02 Ex_ueg -0.1995791E-02 Ec_ueg -0.4527485E-03 Delta_ex -0.2481729E-02 Delta_ec 0.3709317E-03 Delta_et -0.3033217E-02 Pxc 0.4408167E+01 Qxc -0.6690528E+01 3,+3 62 3 +1 -1.761817 -1.734254 1.772113 Rho 0.1218076E-01 |GRAD(Rho)| 0.5170082E-13 GRAD(Rho)x -0.4883013E-13 GRAD(Rho)y 0.1614812E-13 GRAD(Rho)z 0.5275580E-14 Laplacian 0.6101196E-01 (-1/4)Del**2(Rho)) -0.1525299E-01 Diamond 0.2485902E-02 Metallicity 0.7283200E+00 Ellipticity -0.1257888E+01 Gb(Abramov) 0.1202017E-01 Vb(Abramov) -0.8787349E-02 Hb(Abramov) 0.3232820E-02 Ex_ueg -0.2069908E-02 Ec_ueg -0.4679200E-03 Delta_ex -0.3008171E-02 Delta_ec 0.7871258E-03 Delta_et -0.5927404E-02 Pxc 0.4423636E+01 Qxc -0.3821716E+01 3,+1 63 3 -1 -3.118376 -1.968862 -0.831710 Rho 0.1560983E+00 |GRAD(Rho)| 0.4763451E-15 GRAD(Rho)x -0.9002944E-16 GRAD(Rho)y 0.2552890E-15 GRAD(Rho)z -0.3919526E-15 Laplacian 0.6129780E+00 (-1/4)Del**2(Rho)) -0.1532445E+00 Diamond 0.1288674E+01 Metallicity 0.5087430E+01 Ellipticity 0.9035204E-01 Gb(Abramov) 0.2320998E+00 Vb(Abramov) -0.3109551E+00 Hb(Abramov) -0.7885527E-01 Ex_ueg -0.6207487E-01 Ec_ueg -0.8835027E-02 Delta_ex -0.6634153E-01 Delta_ec 0.1515527E-01 Delta_et -0.2022457E+00 Pxc 0.7025997E+01 Qxc -0.4377455E+01 3,-1 64 3 +1 -1.536129 -2.041459 -1.942681 Rho 0.1073175E-01 |GRAD(Rho)| 0.7629226E-16 GRAD(Rho)x 0.3008582E-16 GRAD(Rho)y -0.6760662E-16 GRAD(Rho)z 0.1856601E-16 Laplacian 0.4731424E-01 (-1/4)Del**2(Rho)) -0.1182856E-01 Diamond 0.1516101E-02 Metallicity 0.7604531E+00 Ellipticity -0.1277933E+01 Gb(Abramov) 0.9384885E-02 Vb(Abramov) -0.6941209E-02 Hb(Abramov) 0.2443676E-02 Ex_ueg -0.1748287E-02 Ec_ueg -0.4013435E-03 Delta_ex -0.2221336E-02 Delta_ec 0.5478335E-03 Delta_et -0.4050355E-02 Pxc 0.4356086E+01 Qxc -0.4054765E+01 3,+1 65 3 -1 -3.061264 -0.836957 -1.972389 Rho 0.1123111E+00 |GRAD(Rho)| 0.2133498E-15 GRAD(Rho)x -0.1498910E-16 GRAD(Rho)y -0.1539906E-15 GRAD(Rho)z 0.1469026E-15 Laplacian 0.4290429E+00 (-1/4)Del**2(Rho)) -0.1072607E+00 Diamond 0.6211537E+00 Metallicity 0.4199041E+01 Ellipticity 0.1653107E-02 Gb(Abramov) 0.1465725E+00 Vb(Abramov) -0.1858843E+00 Hb(Abramov) -0.3931180E-01 Ex_ueg -0.4002044E-01 Ec_ueg -0.6076666E-02 Delta_ex -0.4307474E-01 Delta_ec 0.1184980E-01 Delta_et -0.1507885E+00 Pxc 0.6585921E+01 Qxc -0.3635061E+01 3,-1 66 3 +1 -2.921025 -0.208244 -0.132518 Rho 0.5650628E-02 |GRAD(Rho)| 0.3447421E-17 GRAD(Rho)x 0.5014322E-18 GRAD(Rho)y 0.1228492E-17 GRAD(Rho)z -0.3181836E-17 Laplacian 0.2352830E-01 (-1/4)Del**2(Rho)) -0.5882074E-02 Diamond 0.5983255E-03 Metallicity 0.5250297E+00 Ellipticity -0.2463116E+01 Gb(Abramov) 0.4436093E-02 Vb(Abramov) -0.2990113E-02 Hb(Abramov) 0.1445981E-02 Ex_ueg -0.7433283E-03 Ec_ueg -0.1750185E-03 Delta_ex -0.1159768E-02 Delta_ec 0.6726263E-03 Delta_et -0.3816614E-02 Pxc 0.4247140E+01 Qxc -0.1724239E+01 3,+1 67 3 -1 -3.223474 3.167792 -0.038136 Rho 0.2371748E+00 |GRAD(Rho)| 0.3332095E-14 GRAD(Rho)x 0.6031417E-15 GRAD(Rho)y -0.2485750E-14 GRAD(Rho)z 0.2135445E-14 Laplacian 0.8533876E+00 (-1/4)Del**2(Rho)) -0.2133469E+00 Diamond 0.2984217E+01 Metallicity 0.7338056E+01 Ellipticity 0.2269598E-02 Gb(Abramov) 0.4031565E+00 Vb(Abramov) -0.5929661E+00 Hb(Abramov) -0.1898096E+00 Ex_ueg -0.1084284E+00 Ec_ueg -0.1424403E-01 Delta_ex -0.1028356E+00 Delta_ec 0.1900255E-01 Delta_et -0.2634744E+00 Pxc 0.7612198E+01 Qxc -0.5411677E+01 3,-1 68 3 +1 -1.693742 0.563016 -0.466973 Rho 0.9765261E-02 |GRAD(Rho)| 0.2049664E-16 GRAD(Rho)x -0.1141901E-16 GRAD(Rho)y -0.1614764E-16 GRAD(Rho)z -0.5382577E-17 Laplacian 0.3771906E-01 (-1/4)Del**2(Rho)) -0.9429765E-02 Diamond 0.1204622E-02 Metallicity 0.8150646E+00 Ellipticity -0.1519037E+01 Gb(Abramov) 0.7567488E-02 Vb(Abramov) -0.5705211E-02 Hb(Abramov) 0.1862277E-02 Ex_ueg -0.1541571E-02 Ec_ueg -0.3574141E-03 Delta_ex -0.1781396E-02 Delta_ec 0.5335958E-03 Delta_et -0.3765503E-02 Pxc 0.4313123E+01 Qxc -0.3338474E+01 3,+1 69 3 +1 -1.287269 2.160822 1.188839 Rho 0.2794542E-01 |GRAD(Rho)| 0.9540977E-15 GRAD(Rho)x 0.5524513E-16 GRAD(Rho)y 0.9457173E-15 GRAD(Rho)z -0.1134421E-15 Laplacian 0.1139429E+00 (-1/4)Del**2(Rho)) -0.2848572E-01 Diamond 0.1904976E-01 Metallicity 0.1556361E+01 Ellipticity -0.9006255E+01 Gb(Abramov) 0.2637949E-01 Vb(Abramov) -0.2427326E-01 Hb(Abramov) 0.2106227E-02 Ex_ueg -0.6263243E-02 Ec_ueg -0.1238125E-02 Delta_ex -0.7458358E-02 Delta_ec 0.2213780E-02 Delta_et -0.2003448E-01 Pxc 0.5058652E+01 Qxc -0.3369060E+01 3,+1 70 3 +1 -0.585729 1.615660 -0.524444 Rho 0.9020893E-02 |GRAD(Rho)| 0.1023944E-10 GRAD(Rho)x 0.9107965E-11 GRAD(Rho)y -0.3522960E-11 GRAD(Rho)z -0.3078948E-11 Laplacian 0.3478155E-01 (-1/4)Del**2(Rho)) -0.8695387E-02 Diamond 0.9933088E-03 Metallicity 0.7744859E+00 Ellipticity -0.1477932E+01 Gb(Abramov) 0.6919334E-02 Vb(Abramov) -0.5143280E-02 Hb(Abramov) 0.1776053E-02 Ex_ueg -0.1386919E-02 Ec_ueg -0.3238511E-03 Delta_ex -0.1608275E-02 Delta_ec 0.4893254E-03 Delta_et -0.3385881E-02 Pxc 0.4282582E+01 Qxc -0.3286719E+01 3,+1 71 3 -1 -3.237379 0.166770 -3.167830 Rho 0.2464019E+00 |GRAD(Rho)| 0.5518686E-14 GRAD(Rho)x 0.4036810E-14 GRAD(Rho)y -0.1672246E-14 GRAD(Rho)z 0.3371001E-14 Laplacian 0.9173952E+00 (-1/4)Del**2(Rho)) -0.2293488E+00 Diamond 0.3322036E+01 Metallicity 0.7274396E+01 Ellipticity 0.3689102E-02 Gb(Abramov) 0.4309615E+00 Vb(Abramov) -0.6325742E+00 Hb(Abramov) -0.2016127E+00 Ex_ueg -0.1140890E+00 Ec_ueg -0.1488278E-01 Delta_ex -0.1114671E+00 Delta_ec 0.1985977E-01 Delta_et -0.2741821E+00 Pxc 0.7665840E+01 Qxc -0.5612710E+01 3,-1 72 3 -1 -2.930655 -0.039920 0.034731 Rho 0.5694112E-02 |GRAD(Rho)| 0.1234963E-16 GRAD(Rho)x 0.9990652E-18 GRAD(Rho)y -0.9411724E-17 GRAD(Rho)z 0.7933140E-17 Laplacian 0.2297082E-01 (-1/4)Del**2(Rho)) -0.5742706E-02 Diamond 0.7350738E-03 Metallicity 0.5446864E+00 Ellipticity 0.2197022E+01 Gb(Abramov) 0.4349799E-02 Vb(Abramov) -0.2956893E-02 Hb(Abramov) 0.1392906E-02 Ex_ueg -0.7509650E-03 Ec_ueg -0.1769045E-03 Delta_ex -0.1247163E-02 Delta_ec 0.8586361E-03 Delta_et -0.4794706E-02 Pxc 0.4245031E+01 Qxc -0.1452493E+01 3,-1 73 3 -1 -3.166323 -0.044035 3.265726 Rho 0.2476571E+00 |GRAD(Rho)| 0.3983409E-14 GRAD(Rho)x -0.3462616E-14 GRAD(Rho)y 0.1891824E-14 GRAD(Rho)z 0.5466547E-15 Laplacian 0.9087284E+00 (-1/4)Del**2(Rho)) -0.2271821E+00 Diamond 0.3322199E+01 Metallicity 0.7406226E+01 Ellipticity 0.1599325E-02 Gb(Abramov) 0.4318817E+00 Vb(Abramov) -0.6365814E+00 Hb(Abramov) -0.2046996E+00 Ex_ueg -0.1148646E+00 Ec_ueg -0.1497003E-01 Delta_ex -0.1106194E+00 Delta_ec 0.1974540E-01 Delta_et -0.2731127E+00 Pxc 0.7672968E+01 Qxc -0.5602288E+01 3,-1 74 3 -1 -1.789139 -0.521269 -1.743762 Rho 0.5535323E-01 |GRAD(Rho)| 0.2688153E-16 GRAD(Rho)x 0.2661462E-16 GRAD(Rho)y 0.1718630E-17 GRAD(Rho)z -0.3365262E-17 Laplacian 0.2225114E+00 (-1/4)Del**2(Rho)) -0.5562786E-01 Diamond 0.1299146E+00 Metallicity 0.2489807E+01 Ellipticity 0.1814984E-01 Gb(Abramov) 0.6016902E-01 Vb(Abramov) -0.6471017E-01 Hb(Abramov) -0.4541157E-02 Ex_ueg -0.1558030E-01 Ec_ueg -0.2712849E-02 Delta_ex -0.1880707E-01 Delta_ec 0.6651105E-02 Delta_et -0.7201621E-01 Pxc 0.5743148E+01 Qxc -0.2827662E+01 3,-1 75 3 +3 -1.144827 1.106464 -1.111649 Rho 0.5592504E-02 |GRAD(Rho)| 0.7800998E-17 GRAD(Rho)x 0.5864552E-17 GRAD(Rho)y -0.7990217E-18 GRAD(Rho)z 0.5081748E-17 Laplacian 0.2177512E-01 (-1/4)Del**2(Rho)) -0.5443779E-02 Diamond 0.1728019E-03 Metallicity 0.5576091E+00 Ellipticity -0.2257559E+00 Gb(Abramov) 0.4135103E-02 Vb(Abramov) -0.2826427E-02 Hb(Abramov) 0.1308676E-02 Ex_ueg -0.7331510E-03 Ec_ueg -0.1724991E-03 Delta_ex -0.7725602E-03 Delta_ec 0.8948792E-04 Delta_et -0.7402714E-03 Pxc 0.4250173E+01 Qxc -0.8633123E+01 3,+3 76 3 -1 -2.993121 0.851290 2.032336 Rho 0.1361598E+00 |GRAD(Rho)| 0.3166917E-15 GRAD(Rho)x 0.1322659E-15 GRAD(Rho)y -0.2709421E-15 GRAD(Rho)z 0.9690057E-16 Laplacian 0.5353068E+00 (-1/4)Del**2(Rho)) -0.1338267E+00 Diamond 0.9696112E+00 Metallicity 0.4639008E+01 Ellipticity 0.3582014E-01 Gb(Abramov) 0.1926883E+00 Vb(Abramov) -0.2515499E+00 Hb(Abramov) -0.5886162E-01 Ex_ueg -0.5173488E-01 Ec_ueg -0.7563516E-02 Delta_ex -0.5618791E-01 Delta_ec 0.1398691E-01 Delta_et -0.1837164E+00 Pxc 0.6840057E+01 Qxc -0.4017177E+01 3,-1 77 3 +1 2.171133 1.112393 -1.323835 Rho 0.2539773E-01 |GRAD(Rho)| 0.7540102E-16 GRAD(Rho)x 0.7027641E-16 GRAD(Rho)y 0.8627524E-17 GRAD(Rho)z -0.2592500E-16 Laplacian 0.1019617E+00 (-1/4)Del**2(Rho)) -0.2549043E-01 Diamond 0.1496010E-01 Metallicity 0.1483090E+01 Ellipticity -0.6893234E+01 Gb(Abramov) 0.2329439E-01 Vb(Abramov) -0.2109835E-01 Hb(Abramov) 0.2196041E-02 Ex_ueg -0.5513724E-02 Ec_ueg -0.1108760E-02 Delta_ex -0.6509887E-02 Delta_ec 0.1983056E-02 Delta_et -0.1751664E-01 Pxc 0.4972873E+01 Qxc -0.3282755E+01 3,+1 78 3 -1 -3.341308 -3.123064 0.098199 Rho 0.2365631E+00 |GRAD(Rho)| 0.5091630E-15 GRAD(Rho)x 0.1317848E-15 GRAD(Rho)y 0.4829036E-15 GRAD(Rho)z -0.9318718E-16 Laplacian 0.8606239E+00 (-1/4)Del**2(Rho)) -0.2151560E+00 Diamond 0.2994613E+01 Metallicity 0.7245105E+01 Ellipticity 0.1656666E-02 Gb(Abramov) 0.4032419E+00 Vb(Abramov) -0.5913279E+00 Hb(Abramov) -0.1880859E+00 Ex_ueg -0.1080557E+00 Ec_ueg -0.1420185E-01 Delta_ex -0.1036076E+00 Delta_ec 0.1912427E-01 Delta_et -0.2649021E+00 Pxc 0.7608564E+01 Qxc -0.5417600E+01 3,-1 79 3 +1 -1.760239 1.680859 -1.744756 Rho 0.1203995E-01 |GRAD(Rho)| 0.1396409E-13 GRAD(Rho)x -0.8695047E-14 GRAD(Rho)y -0.1072124E-13 GRAD(Rho)z -0.2108779E-14 Laplacian 0.5986976E-01 (-1/4)Del**2(Rho)) -0.1496744E-01 Diamond 0.2397333E-02 Metallicity 0.7279695E+00 Ellipticity -0.1260702E+01 Gb(Abramov) 0.1179427E-01 Vb(Abramov) -0.8621093E-02 Hb(Abramov) 0.3173173E-02 Ex_ueg -0.2038064E-02 Ec_ueg -0.4614134E-03 Delta_ex -0.2941814E-02 Delta_ec 0.7706281E-03 Delta_et -0.5788096E-02 Pxc 0.4417002E+01 Qxc -0.3817424E+01 3,+1 80 3 -1 -2.850620 -1.783480 0.595449 Rho 0.1357495E+00 |GRAD(Rho)| 0.5733821E-14 GRAD(Rho)x -0.1318617E-14 GRAD(Rho)y -0.4841451E-14 GRAD(Rho)z -0.2774582E-14 Laplacian 0.5700602E+00 (-1/4)Del**2(Rho)) -0.1425151E+00 Diamond 0.1011194E+01 Metallicity 0.4334338E+01 Ellipticity 0.1766255E-01 Gb(Abramov) 0.1979614E+00 Vb(Abramov) -0.2534078E+00 Hb(Abramov) -0.5544638E-01 Ex_ueg -0.5152713E-01 Ec_ueg -0.7537614E-02 Delta_ex -0.5959142E-01 Delta_ec 0.1454764E-01 Delta_et -0.1902824E+00 Pxc 0.6836000E+01 Qxc -0.4096295E+01 3,-1 81 3 -1 -3.016836 1.972911 0.887687 Rho 0.1351131E+00 |GRAD(Rho)| 0.1352652E-15 GRAD(Rho)x -0.4790818E-17 GRAD(Rho)y 0.9390546E-16 GRAD(Rho)z -0.9723938E-16 Laplacian 0.5244578E+00 (-1/4)Del**2(Rho)) -0.1311144E+00 Diamond 0.9312971E+00 Metallicity 0.4674460E+01 Ellipticity 0.5038271E-01 Gb(Abramov) 0.1895578E+00 Vb(Abramov) -0.2480012E+00 Hb(Abramov) -0.5844339E-01 Ex_ueg -0.5120529E-01 Ec_ueg -0.7497458E-02 Delta_ex -0.5483303E-01 Delta_ec 0.1352662E-01 Delta_et -0.1770578E+00 Pxc 0.6829686E+01 Qxc -0.4053714E+01 3,-1 82 3 +1 -0.633424 -1.662259 0.490527 Rho 0.9230783E-02 |GRAD(Rho)| 0.1024758E-16 GRAD(Rho)x 0.1332231E-17 GRAD(Rho)y -0.7051073E-17 GRAD(Rho)z 0.7315767E-17 Laplacian 0.3519654E-01 (-1/4)Del**2(Rho)) -0.8799134E-02 Diamond 0.1058983E-02 Metallicity 0.7952630E+00 Ellipticity -0.1531830E+01 Gb(Abramov) 0.7032360E-02 Vb(Abramov) -0.5265587E-02 Hb(Abramov) 0.1766774E-02 Ex_ueg -0.1430111E-02 Ec_ueg -0.3332907E-03 Delta_ex -0.1645952E-02 Delta_ec 0.5111125E-03 Delta_et -0.3544865E-02 Pxc 0.4290882E+01 Qxc -0.3220331E+01 3,+1 83 3 +3 -1.916828 -1.996228 -1.902939 Rho 0.1017611E-01 |GRAD(Rho)| 0.1206615E-16 GRAD(Rho)x 0.1093916E-17 GRAD(Rho)y 0.1098110E-16 GRAD(Rho)z 0.4879623E-17 Laplacian 0.4584724E-01 (-1/4)Del**2(Rho)) -0.1146181E-01 Diamond 0.8425401E-03 Metallicity 0.7182404E+00 Ellipticity -0.6167450E+00 Gb(Abramov) 0.9013262E-02 Vb(Abramov) -0.6564714E-02 Hb(Abramov) 0.2448547E-02 Ex_ueg -0.1628649E-02 Ec_ueg -0.3760405E-03 Delta_ex -0.1933929E-02 Delta_ec 0.1944907E-03 Delta_et -0.1732708E-02 Pxc 0.4331048E+01 Qxc -0.9943551E+01 3,+3 84 3 +1 -1.708378 -0.540871 0.562785 Rho 0.8965037E-02 |GRAD(Rho)| 0.1044467E-15 GRAD(Rho)x 0.2550024E-16 GRAD(Rho)y -0.5172718E-16 GRAD(Rho)z -0.8708133E-16 Laplacian 0.3410181E-01 (-1/4)Del**2(Rho)) -0.8525453E-02 Diamond 0.9766680E-03 Metallicity 0.7817883E+00 Ellipticity -0.1508221E+01 Gb(Abramov) 0.6794485E-02 Vb(Abramov) -0.5063518E-02 Hb(Abramov) 0.1730968E-02 Ex_ueg -0.1375481E-02 Ec_ueg -0.3213423E-03 Delta_ex -0.1579040E-02 Delta_ec 0.4881238E-03 Delta_et -0.3365488E-02 Pxc 0.4280422E+01 Qxc -0.3234917E+01 3,+1 85 3 +1 -0.533415 -0.557325 1.664650 Rho 0.8981011E-02 |GRAD(Rho)| 0.8543946E-17 GRAD(Rho)x -0.3120845E-17 GRAD(Rho)y 0.3742165E-20 GRAD(Rho)z 0.7953573E-17 Laplacian 0.3517806E-01 (-1/4)Del**2(Rho)) -0.8794515E-02 Diamond 0.9666084E-03 Metallicity 0.7601220E+00 Ellipticity -0.1421774E+01 Gb(Abramov) 0.6977161E-02 Vb(Abramov) -0.5159807E-02 Hb(Abramov) 0.1817354E-02 Ex_ueg -0.1378749E-02 Ec_ueg -0.3220596E-03 Delta_ex -0.1611181E-02 Delta_ec 0.4706277E-03 Delta_et -0.3272262E-02 Pxc 0.4281038E+01 Qxc -0.3423473E+01 3,+1 86 3 -1 -0.262048 -1.406773 -3.251466 Rho 0.4222427E-02 |GRAD(Rho)| 0.3526309E-17 GRAD(Rho)x -0.3052993E-17 GRAD(Rho)y -0.1154629E-17 GRAD(Rho)z -0.1334509E-17 Laplacian 0.1602590E-01 (-1/4)Del**2(Rho)) -0.4006474E-02 Diamond 0.4417342E-03 Metallicity 0.4743088E+00 Ellipticity 0.7488013E-01 Gb(Abramov) 0.2987700E-02 Vb(Abramov) -0.1968927E-02 Hb(Abramov) 0.1018774E-02 Ex_ueg -0.5040435E-03 Ec_ueg -0.1136057E-03 Delta_ex -0.9389896E-03 Delta_ec 0.8035886E-03 Delta_et -0.4025097E-02 Pxc 0.4436780E+01 Qxc -0.1168495E+01 3,-1 87 3 +3 -2.357702 0.015109 0.090673 Rho 0.4943223E-02 |GRAD(Rho)| 0.3115266E-17 GRAD(Rho)x -0.2257508E-17 GRAD(Rho)y -0.9377461E-18 GRAD(Rho)z 0.1931106E-17 Laplacian 0.2034083E-01 (-1/4)Del**2(Rho)) -0.5085207E-02 Diamond 0.2013461E-03 Metallicity 0.4859536E+00 Ellipticity -0.3673500E+00 Gb(Abramov) 0.3802001E-02 Vb(Abramov) -0.2518794E-02 Hb(Abramov) 0.1283207E-02 Ex_ueg -0.6219164E-03 Ec_ueg -0.1444703E-03 Delta_ex -0.7585243E-03 Delta_ec 0.1931333E-03 Delta_et -0.1226387E-02 Pxc 0.4304805E+01 Qxc -0.3927465E+01 3,+3 88 3 -1 -2.775532 -0.550380 1.863637 Rho 0.1375654E+00 |GRAD(Rho)| 0.4543494E-15 GRAD(Rho)x 0.8687848E-16 GRAD(Rho)y 0.1814683E-15 GRAD(Rho)z 0.4073754E-15 Laplacian 0.5774196E+00 (-1/4)Del**2(Rho)) -0.1443549E+00 Diamond 0.1059257E+01 Metallicity 0.4374921E+01 Ellipticity 0.1042082E-01 Gb(Abramov) 0.2014935E+00 Vb(Abramov) -0.2586320E+00 Hb(Abramov) -0.5713857E-01 Ex_ueg -0.5244819E-01 Ec_ueg -0.7652334E-02 Delta_ex -0.6076363E-01 Delta_ec 0.1505752E-01 Delta_et -0.1981102E+00 Pxc 0.6853882E+01 Qxc -0.4035435E+01 3,-1 89 3 +1 -2.183484 1.313371 1.158844 Rho 0.2749495E-01 |GRAD(Rho)| 0.1015414E-15 GRAD(Rho)x 0.3893229E-16 GRAD(Rho)y 0.5719914E-16 GRAD(Rho)z -0.7431816E-16 Laplacian 0.1097002E+00 (-1/4)Del**2(Rho)) -0.2742505E-01 Diamond 0.1673653E-01 Metallicity 0.1573357E+01 Ellipticity -0.4542050E+01 Gb(Abramov) 0.2547493E-01 Vb(Abramov) -0.2352481E-01 Hb(Abramov) 0.1950117E-02 Ex_ueg -0.6128990E-02 Ec_ueg -0.1215133E-02 Delta_ex -0.7035294E-02 Delta_ec 0.1926555E-02 Delta_et -0.1739272E-01 Pxc 0.5043884E+01 Qxc -0.3651748E+01 3,+1 90 3 -1 -2.794935 1.774034 -0.510755 Rho 0.1265170E+00 |GRAD(Rho)| 0.3759528E-15 GRAD(Rho)x 0.4700694E-16 GRAD(Rho)y 0.2832343E-15 GRAD(Rho)z 0.2427122E-15 Laplacian 0.5316510E+00 (-1/4)Del**2(Rho)) -0.1329128E+00 Diamond 0.8664172E+00 Metallicity 0.4132706E+01 Ellipticity 0.1091607E-01 Gb(Abramov) 0.1801567E+00 Vb(Abramov) -0.2274007E+00 Hb(Abramov) -0.4724397E-01 Ex_ueg -0.4690835E-01 Ec_ueg -0.6957677E-02 Delta_ex -0.5463429E-01 Delta_ec 0.1379749E-01 Delta_et -0.1784804E+00 Pxc 0.6741955E+01 Qxc -0.3959728E+01 3,-1 91 3 -1 -1.746244 1.713440 0.568005 Rho 0.4361507E-01 |GRAD(Rho)| 0.8475064E-16 GRAD(Rho)x 0.4546238E-16 GRAD(Rho)y -0.6797418E-16 GRAD(Rho)z 0.2225653E-16 Laplacian 0.1814948E+00 (-1/4)Del**2(Rho)) -0.4537370E-01 Diamond 0.7751420E-01 Metallicity 0.2051839E+01 Ellipticity 0.1291757E-01 Gb(Abramov) 0.4576572E-01 Vb(Abramov) -0.4615774E-01 Hb(Abramov) -0.3920216E-03 Ex_ueg -0.1133880E-01 Ec_ueg -0.2065103E-02 Delta_ex -0.1449373E-01 Delta_ec 0.5515199E-02 Delta_et -0.5611561E-01 Pxc 0.5490671E+01 Qxc -0.2627961E+01 3,-1 92 3 -1 -1.640644 -2.747770 -2.387479 Rho 0.2489516E-01 |GRAD(Rho)| 0.1812920E-16 GRAD(Rho)x -0.7903653E-18 GRAD(Rho)y 0.1806642E-16 GRAD(Rho)z -0.1283553E-17 Laplacian 0.7842314E-01 (-1/4)Del**2(Rho)) -0.1960579E-01 Diamond 0.2268642E-01 Metallicity 0.1865064E+01 Ellipticity 0.3360710E-01 Gb(Abramov) 0.1916486E-01 Vb(Abramov) -0.1872394E-01 Hb(Abramov) 0.4409219E-03 Ex_ueg -0.5368730E-02 Ec_ueg -0.1083437E-02 Delta_ex -0.6235986E-02 Delta_ec 0.3766016E-02 Delta_et -0.3263715E-01 Pxc 0.4955277E+01 Qxc -0.1655858E+01 3,-1 93 3 -1 -1.853001 -1.707043 -0.546122 Rho 0.4522541E-01 |GRAD(Rho)| 0.1132080E-14 GRAD(Rho)x -0.7651579E-15 GRAD(Rho)y -0.7514783E-15 GRAD(Rho)z 0.3625181E-15 Laplacian 0.1859395E+00 (-1/4)Del**2(Rho)) -0.4648487E-01 Diamond 0.8376762E-01 Metallicity 0.2127547E+01 Ellipticity 0.1770720E-01 Gb(Abramov) 0.4747303E-01 Vb(Abramov) -0.4846120E-01 Hb(Abramov) -0.9881668E-03 Ex_ueg -0.1190041E-01 Ec_ueg -0.2152703E-02 Delta_ex -0.1500007E-01 Delta_ec 0.5679088E-02 Delta_et -0.5835141E-01 Pxc 0.5528122E+01 Qxc -0.2641281E+01 3,-1 94 3 +3 -1.162042 -1.109827 1.125512 Rho 0.5375738E-02 |GRAD(Rho)| 0.1586702E-16 GRAD(Rho)x 0.2984612E-17 GRAD(Rho)y -0.9996532E-17 GRAD(Rho)z -0.1195507E-16 Laplacian 0.2086954E-01 (-1/4)Del**2(Rho)) -0.5217384E-02 Diamond 0.1574858E-03 Metallicity 0.5447082E+00 Ellipticity -0.1734084E+00 Gb(Abramov) 0.3951915E-02 Vb(Abramov) -0.2686445E-02 Hb(Abramov) 0.1265470E-02 Ex_ueg -0.6955087E-03 Ec_ueg -0.1631180E-03 Delta_ex -0.7327873E-03 Delta_ec 0.8670433E-04 Delta_et -0.7098682E-03 Pxc 0.4263837E+01 Qxc -0.8451565E+01 3,+3 95 3 +1 0.062543 -2.964465 0.023645 Rho 0.4753475E-02 |GRAD(Rho)| 0.9336303E-17 GRAD(Rho)x 0.7563255E-17 GRAD(Rho)y -0.8108536E-18 GRAD(Rho)z -0.5413524E-17 Laplacian 0.1860122E-01 (-1/4)Del**2(Rho)) -0.4650305E-02 Diamond 0.4132282E-03 Metallicity 0.4978407E+00 Ellipticity -0.3766000E+01 Gb(Abramov) 0.3486055E-02 Vb(Abramov) -0.2321805E-02 Hb(Abramov) 0.1164250E-02 Ex_ueg -0.5902917E-03 Ec_ueg -0.1363193E-03 Delta_ex -0.9237839E-03 Delta_ec 0.5998304E-03 Delta_et -0.3202739E-02 Pxc 0.4330214E+01 Qxc -0.1540075E+01 3,+1 96 3 -1 -2.211535 -0.907666 -3.049510 Rho 0.1485000E+00 |GRAD(Rho)| 0.3895625E-12 GRAD(Rho)x -0.1339896E-12 GRAD(Rho)y 0.3143501E-12 GRAD(Rho)z 0.1870555E-12 Laplacian 0.5652596E+00 (-1/4)Del**2(Rho)) -0.1413149E+00 Diamond 0.1155927E+01 Metallicity 0.5076638E+01 Ellipticity 0.1253542E+00 Gb(Abramov) 0.2137774E+00 Vb(Abramov) -0.2862398E+00 Hb(Abramov) -0.7246246E-01 Ex_ueg -0.5807918E-01 Ec_ueg -0.8347564E-02 Delta_ex -0.6079790E-01 Delta_ec 0.1481344E-01 Delta_et -0.1979094E+00 Pxc 0.6957620E+01 Qxc -0.4104239E+01 3,-1 97 3 +1 -2.286779 -1.250510 -1.196957 Rho 0.2881178E-01 |GRAD(Rho)| 0.3212579E-16 GRAD(Rho)x 0.2670805E-16 GRAD(Rho)y 0.9543828E-17 GRAD(Rho)z -0.1508847E-16 Laplacian 0.1191575E+00 (-1/4)Del**2(Rho)) -0.2978937E-01 Diamond 0.2079390E-01 Metallicity 0.1565941E+01 Ellipticity -0.8693460E+01 Gb(Abramov) 0.2763431E-01 Vb(Abramov) -0.2547925E-01 Hb(Abramov) 0.2155057E-02 Ex_ueg -0.6523468E-02 Ec_ueg -0.1282482E-02 Delta_ex -0.7864406E-02 Delta_ec 0.2318116E-02 Delta_et -0.2113977E-01 Pxc 0.5086597E+01 Qxc -0.3392586E+01 3,+1 98 3 -1 -2.020410 2.979410 0.863450 Rho 0.1449445E+00 |GRAD(Rho)| 0.1777402E-13 GRAD(Rho)x 0.9467240E-14 GRAD(Rho)y -0.1482515E-13 GRAD(Rho)z 0.2549949E-14 Laplacian 0.5699025E+00 (-1/4)Del**2(Rho)) -0.1424756E+00 Diamond 0.1097291E+01 Metallicity 0.4835952E+01 Ellipticity 0.6275598E-01 Gb(Abramov) 0.2098180E+00 Vb(Abramov) -0.2771603E+00 Hb(Abramov) -0.6734234E-01 Ex_ueg -0.5623248E-01 Ec_ueg -0.8120676E-02 Delta_ex -0.6057476E-01 Delta_ec 0.1437759E-01 Delta_et -0.1900141E+00 Pxc 0.6924606E+01 Qxc -0.4213138E+01 3,-1 99 3 -1 -1.807919 0.537655 -2.786339 Rho 0.1598886E+00 |GRAD(Rho)| 0.2847964E-11 GRAD(Rho)x 0.2156643E-11 GRAD(Rho)y 0.1746556E-11 GRAD(Rho)z -0.6397905E-12 Laplacian 0.6661566E+00 (-1/4)Del**2(Rho)) -0.1665391E+00 Diamond 0.1454293E+01 Metallicity 0.4872287E+01 Ellipticity 0.1610228E-01 Gb(Abramov) 0.2462638E+00 Vb(Abramov) -0.3259885E+00 Hb(Abramov) -0.7972470E-01 Ex_ueg -0.6409269E-01 Ec_ueg -0.9079505E-02 Delta_ex -0.7264552E-01 Delta_ec 0.1658030E-01 Delta_et -0.2224716E+00 Pxc 0.7059052E+01 Qxc -0.4381435E+01 3,-1 100 3 -1 -1.713738 0.530134 1.766738 Rho 0.4903894E-01 |GRAD(Rho)| 0.2022887E-15 GRAD(Rho)x -0.1467277E-15 GRAD(Rho)y -0.6077377E-16 GRAD(Rho)z 0.1252927E-15 Laplacian 0.1969915E+00 (-1/4)Del**2(Rho)) -0.4924787E-01 Diamond 0.9600479E-01 Metallicity 0.2298269E+01 Ellipticity 0.1274963E-01 Gb(Abramov) 0.5169606E-01 Vb(Abramov) -0.5414425E-01 Hb(Abramov) -0.2448187E-02 Ex_ueg -0.1325684E-01 Ec_ueg -0.2361820E-02 Delta_ex -0.1608035E-01 Delta_ec 0.5771289E-02 Delta_et -0.6052243E-01 Pxc 0.5612976E+01 Qxc -0.2786266E+01 3,-1 101 3 -1 -1.982086 0.888213 3.024232 Rho 0.1476442E+00 |GRAD(Rho)| 0.4245876E-15 GRAD(Rho)x -0.1632537E-15 GRAD(Rho)y -0.3642106E-15 GRAD(Rho)z -0.1448223E-15 Laplacian 0.5830053E+00 (-1/4)Del**2(Rho)) -0.1457513E+00 Diamond 0.1162755E+01 Metallicity 0.4874928E+01 Ellipticity 0.4409002E-01 Gb(Abramov) 0.2155887E+00 Vb(Abramov) -0.2854262E+00 Hb(Abramov) -0.6983743E-01 Ex_ueg -0.5763333E-01 Ec_ueg -0.8292883E-02 Delta_ex -0.6240245E-01 Delta_ec 0.1491474E-01 Delta_et -0.1982489E+00 Pxc 0.6949735E+01 Qxc -0.4183944E+01 3,-1 102 3 +3 -0.084555 -2.390689 -0.174254 Rho 0.4009767E-02 |GRAD(Rho)| 0.3177397E-16 GRAD(Rho)x 0.2674674E-17 GRAD(Rho)y 0.3127198E-16 GRAD(Rho)z -0.4949185E-17 Laplacian 0.1599136E-01 (-1/4)Del**2(Rho)) -0.3997841E-02 Diamond 0.1140852E-03 Metallicity 0.4361068E+00 Ellipticity -0.4001293E+00 Gb(Abramov) 0.2955808E-02 Vb(Abramov) -0.1913776E-02 Hb(Abramov) 0.1042033E-02 Ex_ueg -0.4704829E-03 Ec_ueg -0.1045511E-03 Delta_ex -0.5591444E-03 Delta_ec 0.1405222E-03 Delta_et -0.8635860E-03 Pxc 0.4500028E+01 Qxc -0.3979047E+01 3,+3 103 3 -1 -0.545957 1.749697 -2.759755 Rho 0.1208655E+00 |GRAD(Rho)| 0.3776466E-13 GRAD(Rho)x 0.3684648E-14 GRAD(Rho)y 0.3268635E-13 GRAD(Rho)z -0.1855251E-13 Laplacian 0.5100669E+00 (-1/4)Del**2(Rho)) -0.1275167E+00 Diamond 0.7999339E+00 Metallicity 0.3991691E+01 Ellipticity 0.1240396E-01 Gb(Abramov) 0.1698457E+00 Vb(Abramov) -0.2121747E+00 Hb(Abramov) -0.4232898E-01 Ex_ueg -0.4413554E-01 Ec_ueg -0.6605504E-02 Delta_ex -0.5201776E-01 Delta_ec 0.1369303E-01 Delta_et -0.1763180E+00 Pxc 0.6681631E+01 Qxc -0.3798849E+01 3,-1 104 3 -1 -1.838306 2.733322 -0.546198 Rho 0.1204065E+00 |GRAD(Rho)| 0.1160664E-15 GRAD(Rho)x -0.3642919E-16 GRAD(Rho)y 0.9981436E-17 GRAD(Rho)z -0.1097484E-15 Laplacian 0.5048691E+00 (-1/4)Del**2(Rho)) -0.1262173E+00 Diamond 0.7772941E+00 Metallicity 0.4007290E+01 Ellipticity 0.9412594E-02 Gb(Abramov) 0.1684430E+00 Vb(Abramov) -0.2106688E+00 Hb(Abramov) -0.4222577E-01 Ex_ueg -0.4391216E-01 Ec_ueg -0.6576992E-02 Delta_ex -0.5129580E-01 Delta_ec 0.1330632E-01 Delta_et -0.1707978E+00 Pxc 0.6676632E+01 Qxc -0.3854996E+01 3,-1 105 3 +3 -0.025468 2.275455 -0.002551 Rho 0.4743209E-02 |GRAD(Rho)| 0.3177348E-17 GRAD(Rho)x 0.2124288E-17 GRAD(Rho)y -0.1422368E-17 GRAD(Rho)z 0.1886746E-17 Laplacian 0.1938593E-01 (-1/4)Del**2(Rho)) -0.4846483E-02 Diamond 0.1700429E-03 Metallicity 0.4759708E+00 Ellipticity -0.3190523E+00 Gb(Abramov) 0.3615453E-02 Vb(Abramov) -0.2384422E-02 Hb(Abramov) 0.1231030E-02 Ex_ueg -0.5885926E-03 Ec_ueg -0.1358788E-03 Delta_ex -0.7039797E-03 Delta_ec 0.1638202E-03 Delta_et -0.1057257E-02 Pxc 0.4331746E+01 Qxc -0.4297270E+01 3,+3 106 3 -1 -1.785038 -0.546876 2.814977 Rho 0.1515154E+00 |GRAD(Rho)| 0.1682044E-13 GRAD(Rho)x -0.5949559E-16 GRAD(Rho)y -0.1631006E-13 GRAD(Rho)z -0.4111647E-14 Laplacian 0.6356461E+00 (-1/4)Del**2(Rho)) -0.1589115E+00 Diamond 0.1299840E+01 Metallicity 0.4668305E+01 Ellipticity 0.1694146E-01 Gb(Abramov) 0.2295822E+00 Vb(Abramov) -0.3002530E+00 Hb(Abramov) -0.7067073E-01 Ex_ueg -0.5965692E-01 Ec_ueg -0.8540594E-02 Delta_ex -0.6839263E-01 Delta_ec 0.1601832E-01 Delta_et -0.2133701E+00 Pxc 0.6985103E+01 Qxc -0.4269650E+01 3,-1 107 3 +1 0.556380 0.460064 1.675708 Rho 0.8001041E-02 |GRAD(Rho)| 0.6070757E-16 GRAD(Rho)x -0.5115924E-16 GRAD(Rho)y 0.9897219E-17 GRAD(Rho)z -0.3114781E-16 Laplacian 0.3142949E-01 (-1/4)Del**2(Rho)) -0.7857374E-02 Diamond 0.7799662E-03 Metallicity 0.7017568E+00 Ellipticity -0.1434073E+01 Gb(Abramov) 0.6157243E-02 Vb(Abramov) -0.4457113E-02 Hb(Abramov) 0.1700130E-02 Ex_ueg -0.1181899E-02 Ec_ueg -0.2782612E-03 Delta_ex -0.1418660E-02 Delta_ec 0.4578940E-03 Delta_et -0.3059026E-02 Pxc 0.4247444E+01 Qxc -0.3098228E+01 3,+1 108 3 +1 1.679273 -0.543463 -0.540367 Rho 0.8240670E-02 |GRAD(Rho)| 0.4612120E-13 GRAD(Rho)x 0.1623787E-13 GRAD(Rho)y -0.4167892E-13 GRAD(Rho)z 0.1124119E-13 Laplacian 0.3227727E-01 (-1/4)Del**2(Rho)) -0.8069317E-02 Diamond 0.8136573E-03 Metallicity 0.7177733E+00 Ellipticity -0.1421802E+01 Gb(Abramov) 0.6344868E-02 Vb(Abramov) -0.4620419E-02 Hb(Abramov) 0.1724449E-02 Ex_ueg -0.1229330E-02 Ec_ueg -0.2889315E-03 Delta_ex -0.1458103E-02 Delta_ec 0.4530635E-03 Delta_et -0.3063754E-02 Pxc 0.4254745E+01 Qxc -0.3218320E+01 3,+1 109 3 +1 1.669037 0.504568 0.560548 Rho 0.7301027E-02 |GRAD(Rho)| 0.1584891E-13 GRAD(Rho)x 0.6524386E-14 GRAD(Rho)y 0.1385971E-13 GRAD(Rho)z -0.4065548E-14 Laplacian 0.2841524E-01 (-1/4)Del**2(Rho)) -0.7103809E-02 Diamond 0.6353701E-03 Metallicity 0.6663492E+00 Ellipticity -0.1429462E+01 Gb(Abramov) 0.5524809E-02 Vb(Abramov) -0.3945809E-02 Hb(Abramov) 0.1579000E-02 Ex_ueg -0.1046077E-02 Ec_ueg -0.2472408E-03 Delta_ex -0.1260868E-02 Delta_ec 0.4267541E-03 Delta_et -0.2773115E-02 Pxc 0.4231004E+01 Qxc -0.2954554E+01 3,+1 110 3 +1 2.174711 -1.427130 1.035828 Rho 0.2407323E-01 |GRAD(Rho)| 0.2872456E-16 GRAD(Rho)x 0.1357595E-17 GRAD(Rho)y -0.3738947E-17 GRAD(Rho)z -0.2844780E-16 Laplacian 0.9323942E-01 (-1/4)Del**2(Rho)) -0.2330986E-01 Diamond 0.1090999E-01 Metallicity 0.1483329E+01 Ellipticity -0.2743937E+01 Gb(Abramov) 0.2130260E-01 Vb(Abramov) -0.1929535E-01 Hb(Abramov) 0.2007255E-02 Ex_ueg -0.5133704E-02 Ec_ueg -0.1042167E-02 Delta_ex -0.5664681E-02 Delta_ec 0.1446221E-02 Delta_et -0.1268339E-01 Pxc 0.4925991E+01 Qxc -0.3916886E+01 3,+1 111 3 -1 -0.869410 -3.451680 -1.280505 Rho 0.3238809E+00 |GRAD(Rho)| 0.4227231E-14 GRAD(Rho)x 0.2640117E-15 GRAD(Rho)y 0.4077342E-14 GRAD(Rho)z 0.1084002E-14 Laplacian -0.1683001E+01 (-1/4)Del**2(Rho)) 0.4207502E+00 Diamond 0.5859203E+01 Metallicity -0.6254190E+01 Ellipticity 0.4605203E-02 Gb(Abramov) 0.1580752E+00 Vb(Abramov) -0.7369005E+00 Hb(Abramov) -0.5788254E+00 Ex_ueg -0.1642727E+00 Ec_ueg -0.2043081E-01 Delta_ex 0.1687797E+00 Delta_ec 0.5802799E-01 Delta_et -0.1386829E+01 Pxc 0.8040440E+01 Qxc 0.2908591E+01 3,-1 112 3 +1 -1.174324 1.288737 2.191823 Rho 0.2914971E-01 |GRAD(Rho)| 0.1081689E-16 GRAD(Rho)x -0.8540425E-17 GRAD(Rho)y 0.4016554E-17 GRAD(Rho)z 0.5285224E-17 Laplacian 0.1181424E+00 (-1/4)Del**2(Rho)) -0.2953559E-01 Diamond 0.2007323E-01 Metallicity 0.1610391E+01 Ellipticity -0.6259103E+01 Gb(Abramov) 0.2761770E-01 Vb(Abramov) -0.2569981E-01 Hb(Abramov) 0.1917889E-02 Ex_ueg -0.6625685E-02 Ec_ueg -0.1299832E-02 Delta_ex -0.7743871E-02 Delta_ec 0.2159871E-02 Delta_et -0.1976801E-01 Pxc 0.5097338E+01 Qxc -0.3585340E+01 3,+1 113 3 +1 0.184160 -0.150958 2.941270 Rho 0.5348315E-02 |GRAD(Rho)| 0.1970574E-16 GRAD(Rho)x 0.1551305E-16 GRAD(Rho)y -0.1175155E-16 GRAD(Rho)z 0.3092354E-17 Laplacian 0.2213018E-01 (-1/4)Del**2(Rho)) -0.5532546E-02 Diamond 0.5151444E-03 Metallicity 0.5093189E+00 Ellipticity -0.2125313E+01 Gb(Abramov) 0.4158002E-02 Vb(Abramov) -0.2783459E-02 Hb(Abramov) 0.1374544E-02 Ex_ueg -0.6907821E-03 Ec_ueg -0.1619329E-03 Delta_ex -0.1072444E-02 Delta_ec 0.6213242E-03 Delta_et -0.3473496E-02 Pxc 0.4265854E+01 Qxc -0.1726063E+01 3,+1 114 3 +1 0.504705 1.676266 0.490043 Rho 0.8180868E-02 |GRAD(Rho)| 0.8093207E-16 GRAD(Rho)x 0.8698975E-17 GRAD(Rho)y -0.4460600E-16 GRAD(Rho)z -0.6696740E-16 Laplacian 0.3221671E-01 (-1/4)Del**2(Rho)) -0.8054177E-02 Diamond 0.8003554E-03 Metallicity 0.7104458E+00 Ellipticity -0.1409278E+01 Gb(Abramov) 0.6323127E-02 Vb(Abramov) -0.4592078E-02 Hb(Abramov) 0.1731050E-02 Ex_ueg -0.1217449E-02 Ec_ueg -0.2862662E-03 Delta_ex -0.1450886E-02 Delta_ec 0.4489815E-03 Delta_et -0.3033127E-02 Pxc 0.4252858E+01 Qxc -0.3231506E+01 3,+1 115 3 +1 1.733242 1.798496 1.743351 Rho 0.1217804E-01 |GRAD(Rho)| 0.5150293E-12 GRAD(Rho)x 0.6235308E-13 GRAD(Rho)y -0.1233666E-12 GRAD(Rho)z -0.4961330E-12 Laplacian 0.6052602E-01 (-1/4)Del**2(Rho)) -0.1513151E-01 Diamond 0.2476727E-02 Metallicity 0.7338941E+00 Ellipticity -0.1274693E+01 Gb(Abramov) 0.1193849E-01 Vb(Abramov) -0.8745476E-02 Hb(Abramov) 0.3193015E-02 Ex_ueg -0.2069291E-02 Ec_ueg -0.4677942E-03 Delta_ex -0.2987261E-02 Delta_ec 0.7866139E-03 Delta_et -0.5918811E-02 Pxc 0.4423508E+01 Qxc -0.3797620E+01 3,+1 116 3 -1 -0.845273 2.011695 2.988990 Rho 0.1330767E+00 |GRAD(Rho)| 0.6251792E-14 GRAD(Rho)x -0.4733979E-14 GRAD(Rho)y -0.2677417E-14 GRAD(Rho)z 0.3083146E-14 Laplacian 0.5249540E+00 (-1/4)Del**2(Rho)) -0.1312385E+00 Diamond 0.9260709E+00 Metallicity 0.4553323E+01 Ellipticity 0.2963958E-01 Gb(Abramov) 0.1870876E+00 Vb(Abramov) -0.2429366E+00 Hb(Abramov) -0.5584904E-01 Ex_ueg -0.5017888E-01 Ec_ueg -0.7369146E-02 Delta_ex -0.5480866E-01 Delta_ec 0.1381343E-01 Delta_et -0.1808225E+00 Pxc 0.6809321E+01 Qxc -0.3967781E+01 3,-1 117 3 +3 0.072803 -0.044756 2.319947 Rho 0.4614111E-02 |GRAD(Rho)| 0.3904858E-17 GRAD(Rho)x 0.5379735E-18 GRAD(Rho)y -0.3345526E-17 GRAD(Rho)z -0.1940606E-17 Laplacian 0.1888037E-01 (-1/4)Del**2(Rho)) -0.4720092E-02 Diamond 0.1649445E-03 Metallicity 0.4667483E+00 Ellipticity -0.3877440E+00 Gb(Abramov) 0.3513910E-02 Vb(Abramov) -0.2307729E-02 Hb(Abramov) 0.1206181E-02 Ex_ueg -0.5673300E-03 Ec_ueg -0.1303444E-03 Delta_ex -0.6863506E-03 Delta_ec 0.1695711E-03 Delta_et -0.1072142E-02 Pxc 0.4352546E+01 Qxc -0.4047567E+01 3,+3 118 3 -1 -0.565635 -1.801242 2.762375 Rho 0.1289023E+00 |GRAD(Rho)| 0.2127539E-15 GRAD(Rho)x -0.1381138E-15 GRAD(Rho)y 0.3096752E-16 GRAD(Rho)z -0.1588390E-15 Laplacian 0.5392811E+00 (-1/4)Del**2(Rho)) -0.1348203E+00 Diamond 0.9152072E+00 Metallicity 0.4203061E+01 Ellipticity 0.1300022E-01 Gb(Abramov) 0.1843232E+00 Vb(Abramov) -0.2338260E+00 Hb(Abramov) -0.4950288E-01 Ex_ueg -0.4809123E-01 Ec_ueg -0.7106970E-02 Delta_ex -0.5586895E-01 Delta_ec 0.1429011E-01 Delta_et -0.1860793E+00 Pxc 0.6766770E+01 Qxc -0.3909624E+01 3,-1 119 3 +1 -0.324395 -1.282017 -2.691682 Rho 0.3605701E-02 |GRAD(Rho)| 0.5005509E-17 GRAD(Rho)x 0.2843789E-17 GRAD(Rho)y -0.4762715E-18 GRAD(Rho)z -0.4091595E-17 Laplacian 0.1418447E-01 (-1/4)Del**2(Rho)) -0.3546118E-02 Diamond 0.1564765E-03 Metallicity 0.4118914E+00 Ellipticity -0.1378462E+01 Gb(Abramov) 0.2607515E-02 Vb(Abramov) -0.1668911E-02 Hb(Abramov) 0.9386035E-03 Ex_ueg -0.4083551E-03 Ec_ueg -0.8741289E-04 Delta_ex -0.5816659E-03 Delta_ec 0.3011329E-03 Delta_et -0.1542193E-02 Pxc 0.4671566E+01 Qxc -0.1931592E+01 3,+1 120 3 +1 0.394147 -1.779328 -0.732308 Rho 0.6759060E-02 |GRAD(Rho)| 0.6968842E-17 GRAD(Rho)x 0.4913531E-17 GRAD(Rho)y -0.4460932E-17 GRAD(Rho)z -0.2126511E-17 Laplacian 0.2582868E-01 (-1/4)Del**2(Rho)) -0.6457170E-02 Diamond 0.6686182E-03 Metallicity 0.6446462E+00 Ellipticity -0.1860307E+01 Gb(Abramov) 0.4998545E-02 Vb(Abramov) -0.3539920E-02 Hb(Abramov) 0.1458625E-02 Ex_ueg -0.9438437E-03 Ec_ueg -0.2233804E-03 Delta_ex -0.1216869E-02 Delta_ec 0.5526353E-03 Delta_et -0.3385320E-02 Pxc 0.4225275E+01 Qxc -0.2201939E+01 3,+1 121 3 -1 0.870690 1.944097 -2.971823 Rho 0.1318987E+00 |GRAD(Rho)| 0.1575812E-14 GRAD(Rho)x -0.9102961E-15 GRAD(Rho)y 0.1182363E-14 GRAD(Rho)z 0.5065189E-15 Laplacian 0.5167390E+00 (-1/4)Del**2(Rho)) -0.1291847E+00 Diamond 0.9026658E+00 Metallicity 0.4557672E+01 Ellipticity 0.3070101E-01 Gb(Abramov) 0.1842534E+00 Vb(Abramov) -0.2393221E+00 Hb(Abramov) -0.5506870E-01 Ex_ueg -0.4958755E-01 Ec_ueg -0.7295049E-02 Delta_ex -0.5384445E-01 Delta_ec 0.1364253E-01 Delta_et -0.1783610E+00 Pxc 0.6797425E+01 Qxc -0.3946807E+01 3,-1 122 3 +1 -0.246828 2.907540 0.179746 Rho 0.5592719E-02 |GRAD(Rho)| 0.6831329E-17 GRAD(Rho)x -0.4388322E-17 GRAD(Rho)y -0.6403445E-19 GRAD(Rho)z -0.5235035E-17 Laplacian 0.2339968E-01 (-1/4)Del**2(Rho)) -0.5849919E-02 Diamond 0.5683899E-03 Metallicity 0.5189294E+00 Ellipticity -0.2064973E+01 Gb(Abramov) 0.4405896E-02 Vb(Abramov) -0.2961872E-02 Hb(Abramov) 0.1444024E-02 Ex_ueg -0.7331887E-03 Ec_ueg -0.1725084E-03 Delta_ex -0.1136251E-02 Delta_ec 0.6425781E-03 Delta_et -0.3646578E-02 Pxc 0.4250161E+01 Qxc -0.1768269E+01 3,+1 123 3 -1 -0.502898 0.432968 0.459880 Rho 0.1782297E+00 |GRAD(Rho)| 0.2244708E-15 GRAD(Rho)x -0.1353084E-15 GRAD(Rho)y 0.1526557E-15 GRAD(Rho)z 0.9367507E-16 Laplacian 0.4747587E+00 (-1/4)Del**2(Rho)) -0.1186897E+00 Diamond 0.1206148E+01 Metallicity 0.8192954E+01 Ellipticity 0.5276692E-02 Gb(Abramov) 0.2411963E+00 Vb(Abramov) -0.3637029E+00 Hb(Abramov) -0.1225066E+00 Ex_ueg -0.7407846E-01 Ec_ueg -0.1027450E-01 Delta_ex -0.5339722E-01 Delta_ec 0.1184763E-01 Delta_et -0.1620538E+00 Pxc 0.7209934E+01 Qxc -0.4506994E+01 3,-1 124 3 +1 0.166152 2.902921 -0.216919 Rho 0.5646158E-02 |GRAD(Rho)| 0.9381067E-17 GRAD(Rho)x 0.1490037E-17 GRAD(Rho)y -0.2019778E-17 GRAD(Rho)z -0.9039066E-17 Laplacian 0.2338141E-01 (-1/4)Del**2(Rho)) -0.5845353E-02 Diamond 0.5965403E-03 Metallicity 0.5276317E+00 Ellipticity -0.2420575E+01 Gb(Abramov) 0.4410934E-02 Vb(Abramov) -0.2976515E-02 Hb(Abramov) 0.1434419E-02 Ex_ueg -0.7425445E-03 Ec_ueg -0.1748247E-03 Delta_ex -0.1154383E-02 Delta_ec 0.6720690E-03 Delta_et -0.3810961E-02 Pxc 0.4247365E+01 Qxc -0.1717655E+01 3,+1 125 3 +3 1.113654 1.064994 1.081012 Rho 0.4592928E-02 |GRAD(Rho)| 0.9477986E-12 GRAD(Rho)x 0.9440907E-12 GRAD(Rho)y 0.6359692E-13 GRAD(Rho)z 0.5450119E-13 Laplacian 0.1793250E-01 (-1/4)Del**2(Rho)) -0.4483126E-02 Diamond 0.1196007E-03 Metallicity 0.4876651E+00 Ellipticity -0.2502954E+00 Gb(Abramov) 0.3353128E-02 Vb(Abramov) -0.2223130E-02 Hb(Abramov) 0.1129998E-02 Ex_ueg -0.5638600E-03 Ec_ueg -0.1294371E-03 Delta_ex -0.6135975E-03 Delta_ec 0.9405769E-04 Delta_et -0.6898230E-03 Pxc 0.4356246E+01 Qxc -0.6523629E+01 3,+3 126 3 -1 0.010284 -3.295750 -1.228824 Rho 0.2493761E-01 |GRAD(Rho)| 0.5283808E-16 GRAD(Rho)x -0.5239872E-16 GRAD(Rho)y 0.5813804E-17 GRAD(Rho)z -0.3526511E-17 Laplacian 0.8355036E-01 (-1/4)Del**2(Rho)) -0.2088759E-01 Diamond 0.2586373E-01 Metallicity 0.1755589E+01 Ellipticity 0.5458323E-02 Gb(Abramov) 0.2003673E-01 Vb(Abramov) -0.1918587E-01 Hb(Abramov) 0.8508604E-03 Ex_ueg -0.5380939E-02 Ec_ueg -0.1085573E-02 Delta_ex -0.6824575E-02 Delta_ec 0.4330975E-02 Delta_et -0.3752618E-01 Pxc 0.4956772E+01 Qxc -0.1575759E+01 3,-1 127 3 -1 -0.594419 -2.775846 1.778805 Rho 0.1637708E+00 |GRAD(Rho)| 0.4916998E-15 GRAD(Rho)x -0.3626114E-15 GRAD(Rho)y 0.1198586E-15 GRAD(Rho)z 0.3097024E-15 Laplacian 0.6858083E+00 (-1/4)Del**2(Rho)) -0.1714521E+00 Diamond 0.1530271E+01 Metallicity 0.4925735E+01 Ellipticity 0.2481914E-01 Gb(Abramov) 0.2550560E+00 Vb(Abramov) -0.3386599E+00 Hb(Abramov) -0.8360389E-01 Ex_ueg -0.6617596E-01 Ec_ueg -0.9330792E-02 Delta_ex -0.7514095E-01 Delta_ec 0.1679642E-01 Delta_et -0.2256032E+00 Pxc 0.7092213E+01 Qxc -0.4473628E+01 3,-1 128 3 -1 -0.082697 -3.216165 3.149539 Rho 0.2465743E+00 |GRAD(Rho)| 0.3566429E-15 GRAD(Rho)x 0.7459311E-16 GRAD(Rho)y 0.3374037E-15 GRAD(Rho)z -0.8825406E-16 Laplacian 0.9100265E+00 (-1/4)Del**2(Rho)) -0.2275066E+00 Diamond 0.3306710E+01 Metallicity 0.7341849E+01 Ellipticity 0.3200206E-02 Gb(Abramov) 0.4300577E+00 Vb(Abramov) -0.6326087E+00 Hb(Abramov) -0.2025510E+00 Ex_ueg -0.1141955E+00 Ec_ueg -0.1489476E-01 Delta_ex -0.1106362E+00 Delta_ec 0.1977476E-01 Delta_et -0.2733764E+00 Pxc 0.7666821E+01 Qxc -0.5594819E+01 3,-1 129 3 +1 -0.170401 -2.301630 -1.118653 Rho 0.6815344E-02 |GRAD(Rho)| 0.3656509E-16 GRAD(Rho)x -0.2572349E-16 GRAD(Rho)y -0.2597864E-16 GRAD(Rho)z -0.6467206E-18 Laplacian 0.2668100E-01 (-1/4)Del**2(Rho)) -0.6670250E-02 Diamond 0.7147246E-03 Metallicity 0.6327381E+00 Ellipticity -0.1832603E+01 Gb(Abramov) 0.5150254E-02 Vb(Abramov) -0.3630257E-02 Hb(Abramov) 0.1519996E-02 Ex_ueg -0.9543377E-03 Ec_ueg -0.2258519E-03 Delta_ex -0.1269371E-02 Delta_ec 0.5887031E-03 Delta_et -0.3604641E-02 Pxc 0.4225502E+01 Qxc -0.2156215E+01 3,+1 130 3 +1 1.420763 1.002447 -2.161644 Rho 0.2757156E-01 |GRAD(Rho)| 0.3678283E-15 GRAD(Rho)x 0.5873641E-17 GRAD(Rho)y 0.3375037E-15 GRAD(Rho)z 0.1461314E-15 Laplacian 0.1105889E+00 (-1/4)Del**2(Rho)) -0.2764722E-01 Diamond 0.1579125E-01 Metallicity 0.1567968E+01 Ellipticity -0.3057525E+01 Gb(Abramov) 0.2565647E-01 Vb(Abramov) -0.2366573E-01 Hb(Abramov) 0.1990747E-02 Ex_ueg -0.6151771E-02 Ec_ueg -0.1219040E-02 Delta_ex -0.6988373E-02 Delta_ec 0.1747209E-02 Delta_et -0.1581425E-01 Pxc 0.5046407E+01 Qxc -0.3999736E+01 3,+1 131 3 -1 -0.513485 1.714402 1.732870 Rho 0.4843774E-01 |GRAD(Rho)| 0.4440801E-12 GRAD(Rho)x -0.1611084E-12 GRAD(Rho)y -0.2973272E-12 GRAD(Rho)z -0.2878328E-12 Laplacian 0.1945562E+00 (-1/4)Del**2(Rho)) -0.4863904E-01 Diamond 0.9362238E-01 Metallicity 0.2279683E+01 Ellipticity 0.1338276E-01 Gb(Abramov) 0.5090630E-01 Vb(Abramov) -0.5317355E-01 Hb(Abramov) -0.2267256E-02 Ex_ueg -0.1304058E-01 Ec_ueg -0.2328701E-02 Delta_ex -0.1584938E-01 Delta_ec 0.5731112E-02 Delta_et -0.5991602E-01 Pxc 0.5599936E+01 Qxc -0.2765499E+01 3,-1 132 3 -1 -0.566475 2.727781 -1.791916 Rho 0.1496712E+00 |GRAD(Rho)| 0.4318737E-15 GRAD(Rho)x -0.5122855E-17 GRAD(Rho)y 0.2202286E-17 GRAD(Rho)z -0.4318377E-15 Laplacian 0.6287015E+00 (-1/4)Del**2(Rho)) -0.1571754E+00 Diamond 0.1264568E+01 Metallicity 0.4624509E+01 Ellipticity 0.1428111E-01 Gb(Abramov) 0.2259267E+00 Vb(Abramov) -0.2946781E+00 Hb(Abramov) -0.6875137E-01 Ex_ueg -0.5869070E-01 Ec_ueg -0.8422468E-02 Delta_ex -0.6741885E-01 Delta_ec 0.1585075E-01 Delta_et -0.2106885E+00 Pxc 0.6968349E+01 Qxc -0.4253353E+01 3,-1 133 3 -1 -0.849992 2.984887 1.974950 Rho 0.1235511E+00 |GRAD(Rho)| 0.4704866E-15 GRAD(Rho)x -0.3397754E-15 GRAD(Rho)y -0.1332213E-16 GRAD(Rho)z -0.3251658E-15 Laplacian 0.4855343E+00 (-1/4)Del**2(Rho)) -0.1213836E+00 Diamond 0.7839262E+00 Metallicity 0.4349818E+01 Ellipticity 0.1892660E-01 Gb(Abramov) 0.1689218E+00 Vb(Abramov) -0.2164600E+00 Hb(Abramov) -0.4753822E-01 Ex_ueg -0.4544792E-01 Ec_ueg -0.6772586E-02 Delta_ex -0.4980330E-01 Delta_ec 0.1301543E-01 Delta_et -0.1683113E+00 Pxc 0.6710571E+01 Qxc -0.3826482E+01 3,-1 134 3 -1 -0.045485 3.151162 -3.171087 Rho 0.2470769E+00 |GRAD(Rho)| 0.4110149E-15 GRAD(Rho)x -0.9419006E-16 GRAD(Rho)y -0.1363926E-15 GRAD(Rho)z -0.3761097E-15 Laplacian 0.9153913E+00 (-1/4)Del**2(Rho)) -0.2288478E+00 Diamond 0.3330828E+01 Metallicity 0.7323633E+01 Ellipticity 0.1880649E-02 Gb(Abramov) 0.4318981E+00 Vb(Abramov) -0.6349484E+00 Hb(Abramov) -0.2030503E+00 Ex_ueg -0.1145059E+00 Ec_ueg -0.1492969E-01 Delta_ex -0.1113297E+00 Delta_ec 0.1984675E-01 Delta_et -0.2742346E+00 Pxc 0.7669678E+01 Qxc -0.5609470E+01 3,-1 135 3 -1 -0.016356 2.909560 -0.044495 Rho 0.5702915E-02 |GRAD(Rho)| 0.1205463E-16 GRAD(Rho)x -0.1061381E-16 GRAD(Rho)y 0.9645937E-18 GRAD(Rho)z -0.5632999E-17 Laplacian 0.2280624E-01 (-1/4)Del**2(Rho)) -0.5701561E-02 Diamond 0.7449481E-03 Metallicity 0.5500315E+00 Ellipticity 0.1917434E+01 Gb(Abramov) 0.4323714E-02 Vb(Abramov) -0.2945866E-02 Hb(Abramov) 0.1377847E-02 Ex_ueg -0.7525134E-03 Ec_ueg -0.1772864E-03 Delta_ex -0.1249197E-02 Delta_ec 0.8714378E-03 Delta_et -0.4862134E-02 Pxc 0.4244620E+01 Qxc -0.1433489E+01 3,-1 136 3 -1 0.089899 3.210524 3.175150 Rho 0.2465472E+00 |GRAD(Rho)| 0.7556538E-15 GRAD(Rho)x 0.2198762E-15 GRAD(Rho)y 0.3471615E-15 GRAD(Rho)z 0.6341499E-15 Laplacian 0.9032456E+00 (-1/4)Del**2(Rho)) -0.2258114E+00 Diamond 0.3286267E+01 Metallicity 0.7395611E+01 Ellipticity 0.2623967E-02 Gb(Abramov) 0.4288765E+00 Vb(Abramov) -0.6319416E+00 Hb(Abramov) -0.2030651E+00 Ex_ueg -0.1141787E+00 Ec_ueg -0.1489288E-01 Delta_ex -0.1098324E+00 Delta_ec 0.1967052E-01 Delta_et -0.2721304E+00 Pxc 0.7666667E+01 Qxc -0.5583604E+01 3,-1 137 3 -1 0.243427 -1.161047 -1.927613 Rho 0.6204496E-02 |GRAD(Rho)| 0.1529965E-16 GRAD(Rho)x 0.1094494E-16 GRAD(Rho)y -0.9872647E-17 GRAD(Rho)z -0.4101016E-17 Laplacian 0.2445186E-01 (-1/4)Del**2(Rho)) -0.6112965E-02 Diamond 0.9120362E-03 Metallicity 0.5903987E+00 Ellipticity 0.3078760E+00 Gb(Abramov) 0.4676825E-02 Vb(Abramov) -0.3240684E-02 Hb(Abramov) 0.1436141E-02 Ex_ueg -0.8420290E-03 Ec_ueg -0.1991098E-03 Delta_ex -0.1372528E-02 Delta_ec 0.9561007E-03 Delta_et -0.5466344E-02 Pxc 0.4228968E+01 Qxc -0.1435547E+01 3,-1 138 3 +1 0.335291 -1.610361 -1.634500 Rho 0.5641104E-02 |GRAD(Rho)| 0.1257864E-16 GRAD(Rho)x -0.1106948E-16 GRAD(Rho)y 0.4339895E-17 GRAD(Rho)z 0.4105373E-17 Laplacian 0.2213251E-01 (-1/4)Del**2(Rho)) -0.5533128E-02 Diamond 0.4846993E-03 Metallicity 0.5565737E+00 Ellipticity -0.1828371E+01 Gb(Abramov) 0.4202018E-02 Vb(Abramov) -0.2870907E-02 Hb(Abramov) 0.1331110E-02 Ex_ueg -0.7416584E-03 Ec_ueg -0.1746056E-03 Delta_ex -0.1029833E-02 Delta_ec 0.5242409E-03 Delta_et -0.3020736E-02 Pxc 0.4247620E+01 Qxc -0.1964427E+01 3,+1 139 3 -1 -0.562231 -0.500064 -0.513417 Rho 0.1908971E+00 |GRAD(Rho)| 0.1311337E-12 GRAD(Rho)x 0.7874257E-13 GRAD(Rho)y 0.7269532E-13 GRAD(Rho)z 0.7557149E-13 Laplacian 0.5227283E+00 (-1/4)Del**2(Rho)) -0.1306821E+00 Diamond 0.1420933E+01 Metallicity 0.8343267E+01 Ellipticity 0.2027626E-01 Gb(Abramov) 0.2688406E+00 Vb(Abramov) -0.4069992E+00 Hb(Abramov) -0.1381586E+00 Ex_ueg -0.8118035E-01 Ec_ueg -0.1111117E-01 Delta_ex -0.5966176E-01 Delta_ec 0.1253824E-01 Delta_et -0.1719225E+00 Pxc 0.7306192E+01 Qxc -0.4758383E+01 3,-1 140 3 -1 0.415823 -0.521554 0.426383 Rho 0.1821614E+00 |GRAD(Rho)| 0.6933775E-15 GRAD(Rho)x -0.5030698E-15 GRAD(Rho)y 0.3122502E-15 GRAD(Rho)z -0.3608225E-15 Laplacian 0.4872917E+00 (-1/4)Del**2(Rho)) -0.1218229E+00 Diamond 0.1272914E+01 Metallicity 0.8277859E+01 Ellipticity 0.2688230E-02 Gb(Abramov) 0.2492875E+00 Vb(Abramov) -0.3767520E+00 Hb(Abramov) -0.1274645E+00 Ex_ueg -0.7626527E-01 Ec_ueg -0.1053320E-01 Delta_ex -0.5512293E-01 Delta_ec 0.1211984E-01 Delta_et -0.1662702E+00 Pxc 0.7240464E+01 Qxc -0.4548155E+01 3,-1 141 3 -1 0.530421 1.688808 -1.707700 Rho 0.5380608E-01 |GRAD(Rho)| 0.1670010E-15 GRAD(Rho)x -0.8655999E-16 GRAD(Rho)y 0.1395131E-15 GRAD(Rho)z -0.3054147E-16 Laplacian 0.2171712E+00 (-1/4)Del**2(Rho)) -0.5429279E-01 Diamond 0.1207079E+00 Metallicity 0.2433305E+01 Ellipticity 0.1234622E-01 Gb(Abramov) 0.5821369E-01 Vb(Abramov) -0.6213458E-01 Hb(Abramov) -0.3920892E-02 Ex_ueg -0.1500238E-01 Ec_ueg -0.2626315E-02 Delta_ex -0.1817380E-01 Delta_ec 0.6402489E-02 Delta_et -0.6878822E-01 Pxc 0.5712331E+01 Qxc -0.2838552E+01 3,-1 142 3 -1 0.423142 0.425641 -0.498545 Rho 0.1829657E+00 |GRAD(Rho)| 0.2780973E-15 GRAD(Rho)x -0.1040834E-15 GRAD(Rho)y -0.2532696E-15 GRAD(Rho)z 0.4857226E-16 Laplacian 0.4926080E+00 (-1/4)Del**2(Rho)) -0.1231520E+00 Diamond 0.1292201E+01 Metallicity 0.8248868E+01 Ellipticity 0.3791067E-02 Gb(Abramov) 0.2514121E+00 Vb(Abramov) -0.3796722E+00 Hb(Abramov) -0.1282601E+00 Ex_ueg -0.7671457E-01 Ec_ueg -0.1058623E-01 Delta_ex -0.5577499E-01 Delta_ec 0.1221854E-01 Delta_et -0.1676489E+00 Pxc 0.7246635E+01 Qxc -0.4564783E+01 3,-1 143 3 -1 0.865161 -2.994513 1.982626 Rho 0.1518245E+00 |GRAD(Rho)| 0.4837300E-12 GRAD(Rho)x -0.3693785E-12 GRAD(Rho)y 0.2012056E-12 GRAD(Rho)z 0.2388944E-12 Laplacian 0.5936348E+00 (-1/4)Del**2(Rho)) -0.1484087E+00 Diamond 0.1223708E+01 Metallicity 0.5015682E+01 Ellipticity 0.5537644E-01 Gb(Abramov) 0.2230010E+00 Vb(Abramov) -0.2975932E+00 Hb(Abramov) -0.7459225E-01 Ex_ueg -0.5981921E-01 Ec_ueg -0.8560408E-02 Delta_ex -0.6397117E-01 Delta_ec 0.1507109E-01 Delta_et -0.2010889E+00 Pxc 0.6987893E+01 Qxc -0.4244629E+01 3,-1 144 3 +1 1.987316 -1.963004 1.982086 Rho 0.1185248E-01 |GRAD(Rho)| 0.9037491E-17 GRAD(Rho)x 0.4833000E-17 GRAD(Rho)y 0.5108681E-17 GRAD(Rho)z 0.5676244E-17 Laplacian 0.5460213E-01 (-1/4)Del**2(Rho)) -0.1365053E-01 Diamond 0.1581524E-02 Metallicity 0.7775927E+00 Ellipticity -0.1027671E+01 Gb(Abramov) 0.1086945E-01 Vb(Abramov) -0.8088363E-02 Hb(Abramov) 0.2781085E-02 Ex_ueg -0.1995863E-02 Ec_ueg -0.4527632E-03 Delta_ex -0.2507860E-02 Delta_ec 0.4099704E-03 Delta_et -0.3295897E-02 Pxc 0.4408182E+01 Qxc -0.6117173E+01 3,+1 145 3 -1 0.128482 -2.000270 -1.059473 Rho 0.7251632E-02 |GRAD(Rho)| 0.3284868E-13 GRAD(Rho)x -0.1695006E-13 GRAD(Rho)y -0.1977906E-13 GRAD(Rho)z 0.2001300E-13 Laplacian 0.2763426E-01 (-1/4)Del**2(Rho)) -0.6908565E-02 Diamond 0.1215032E-02 Metallicity 0.6774724E+00 Ellipticity 0.6269016E+00 Gb(Abramov) 0.5385770E-02 Vb(Abramov) -0.3862976E-02 Hb(Abramov) 0.1522795E-02 Ex_ueg -0.1036651E-02 Ec_ueg -0.2450605E-03 Delta_ex -0.1565119E-02 Delta_ec 0.1023768E-02 Delta_et -0.6155645E-02 Pxc 0.4230186E+01 Qxc -0.1528784E+01 3,-1 146 3 -1 0.814433 -1.985154 2.980100 Rho 0.1238731E+00 |GRAD(Rho)| 0.2418806E-12 GRAD(Rho)x -0.1325422E-12 GRAD(Rho)y -0.1735601E-12 GRAD(Rho)z -0.1039984E-12 Laplacian 0.4875279E+00 (-1/4)Del**2(Rho)) -0.1218820E+00 Diamond 0.7896450E+00 Metallicity 0.4350862E+01 Ellipticity 0.2107685E-01 Gb(Abramov) 0.1696366E+00 Vb(Abramov) -0.2173912E+00 Hb(Abramov) -0.4775461E-01 Ex_ueg -0.4560589E-01 Ec_ueg -0.6792649E-02 Delta_ex -0.5003933E-01 Delta_ec 0.1306166E-01 Delta_et -0.1689859E+00 Pxc 0.6714007E+01 Qxc -0.3831008E+01 3,-1 147 3 -1 0.556240 2.797567 1.772706 Rho 0.1505402E+00 |GRAD(Rho)| 0.1595199E-13 GRAD(Rho)x 0.1546227E-13 GRAD(Rho)y -0.3823622E-14 GRAD(Rho)z 0.8741651E-15 Laplacian 0.6263383E+00 (-1/4)Del**2(Rho)) -0.1565846E+00 Diamond 0.1275527E+01 Metallicity 0.4686965E+01 Ellipticity 0.1260494E-01 Gb(Abramov) 0.2267075E+00 Vb(Abramov) -0.2968303E+00 Hb(Abramov) -0.7012288E-01 Ex_ueg -0.5914551E-01 Ec_ueg -0.8478104E-02 Delta_ex -0.6732985E-01 Delta_ec 0.1589091E-01 Delta_et -0.2116762E+00 Pxc 0.6976265E+01 Qxc -0.4237003E+01 3,-1 148 3 -1 0.578857 1.817065 2.767701 Rho 0.1672481E+00 |GRAD(Rho)| 0.7009213E-15 GRAD(Rho)x 0.1123233E-15 GRAD(Rho)y -0.6911247E-15 GRAD(Rho)z -0.3195008E-16 Laplacian 0.6986311E+00 (-1/4)Del**2(Rho)) -0.1746578E+00 Diamond 0.1602171E+01 Metallicity 0.5007649E+01 Ellipticity 0.1928814E-01 Gb(Abramov) 0.2622093E+00 Vb(Abramov) -0.3497609E+00 Hb(Abramov) -0.8755154E-01 Ex_ueg -0.6805603E-01 Ec_ueg -0.9556634E-02 Delta_ex -0.7697817E-01 Delta_ec 0.1707121E-01 Delta_et -0.2300070E+00 Pxc 0.7121339E+01 Qxc -0.4509238E+01 3,-1 149 3 -1 0.867428 2.966095 -1.976139 Rho 0.1621014E+00 |GRAD(Rho)| 0.3960655E-15 GRAD(Rho)x -0.2074079E-15 GRAD(Rho)y -0.2581621E-15 GRAD(Rho)z -0.2172606E-15 Laplacian 0.6367584E+00 (-1/4)Del**2(Rho)) -0.1591896E+00 Diamond 0.1418344E+01 Metallicity 0.5215348E+01 Ellipticity 0.6010818E-01 Gb(Abramov) 0.2444979E+00 Vb(Abramov) -0.3298062E+00 Hb(Abramov) -0.8530832E-01 Ex_ueg -0.6527811E-01 Ec_ueg -0.9222628E-02 Delta_ex -0.6972271E-01 Delta_ec 0.1587502E-01 Delta_et -0.2135878E+00 Pxc 0.7078038E+01 Qxc -0.4391977E+01 3,-1 150 3 +1 1.913144 -1.794917 -1.728718 Rho 0.1409444E-01 |GRAD(Rho)| 0.1436981E-16 GRAD(Rho)x -0.3062434E-17 GRAD(Rho)y -0.1164581E-16 GRAD(Rho)z -0.7841430E-17 Laplacian 0.6645922E-01 (-1/4)Del**2(Rho)) -0.1661481E-01 Diamond 0.3400582E-02 Metallicity 0.8527159E+00 Ellipticity -0.1408004E+01 Gb(Abramov) 0.1343782E-01 Vb(Abramov) -0.1026084E-01 Hb(Abramov) 0.3176984E-02 Ex_ueg -0.2514484E-02 Ec_ueg -0.5570989E-03 Delta_ex -0.3427754E-02 Delta_ec 0.8956456E-03 Delta_et -0.6960155E-02 Pxc 0.4513533E+01 Qxc -0.3827132E+01 3,+1 151 3 -1 1.215708 -2.331612 -2.000282 Rho 0.4696764E-01 |GRAD(Rho)| 0.1530015E-16 GRAD(Rho)x 0.1121568E-16 GRAD(Rho)y -0.6560500E-17 GRAD(Rho)z -0.8078551E-17 Laplacian 0.1268992E+00 (-1/4)Del**2(Rho)) -0.3172481E-01 Diamond 0.9257636E-01 Metallicity 0.3320107E+01 Ellipticity 0.1162657E-01 Gb(Abramov) 0.3870483E-01 Vb(Abramov) -0.4568485E-01 Hb(Abramov) -0.6980022E-02 Ex_ueg -0.1251555E-01 Ec_ueg -0.2247954E-02 Delta_ex -0.1185163E-01 Delta_ec 0.6584386E-02 Delta_et -0.6895259E-01 Pxc 0.5567529E+01 Qxc -0.1799960E+01 3,-1 152 3 +1 1.335351 -1.105318 2.152286 Rho 0.2583761E-01 |GRAD(Rho)| 0.8827193E-16 GRAD(Rho)x 0.2497968E-16 GRAD(Rho)y -0.1489600E-16 GRAD(Rho)z 0.8334302E-16 Laplacian 0.1019761E+00 (-1/4)Del**2(Rho)) -0.2549403E-01 Diamond 0.1381291E-01 Metallicity 0.1525932E+01 Ellipticity -0.3501356E+01 Gb(Abramov) 0.2347972E-01 Vb(Abramov) -0.2146540E-01 Hb(Abramov) 0.2014316E-02 Ex_ueg -0.5641418E-02 Ec_ueg -0.1130979E-02 Delta_ex -0.6383577E-02 Delta_ec 0.1703820E-02 Delta_et -0.1516688E-01 Pxc 0.4988085E+01 Qxc -0.3746627E+01 3,+1 153 3 +1 1.442664 2.130703 -1.002788 Rho 0.2618722E-01 |GRAD(Rho)| 0.3891299E-16 GRAD(Rho)x 0.1486601E-16 GRAD(Rho)y -0.3094509E-16 GRAD(Rho)z 0.1832002E-16 Laplacian 0.1025118E+00 (-1/4)Del**2(Rho)) -0.2562795E-01 Diamond 0.1234549E-01 Metallicity 0.1552345E+01 Ellipticity -0.2304807E+01 Gb(Abramov) 0.2371587E-01 Vb(Abramov) -0.2180379E-01 Hb(Abramov) 0.1912079E-02 Ex_ueg -0.5743424E-02 Ec_ueg -0.1148673E-02 Delta_ex -0.6256592E-02 Delta_ec 0.1384777E-02 Delta_et -0.1243303E-01 Pxc 0.5000053E+01 Qxc -0.4518122E+01 3,+1 154 3 -1 1.724414 -0.602730 1.734799 Rho 0.3693044E-01 |GRAD(Rho)| 0.1442392E-15 GRAD(Rho)x 0.1060047E-15 GRAD(Rho)y 0.4518365E-16 GRAD(Rho)z 0.8675481E-16 Laplacian 0.1534226E+00 (-1/4)Del**2(Rho)) -0.3835566E-01 Diamond 0.5226944E-01 Metallicity 0.1839492E+01 Ellipticity 0.2750492E-01 Gb(Abramov) 0.3732959E-01 Vb(Abramov) -0.3630352E-01 Hb(Abramov) 0.1026067E-02 Ex_ueg -0.9083035E-02 Ec_ueg -0.1706324E-02 Delta_ex -0.1175961E-01 Delta_ec 0.4667828E-02 Delta_et -0.4540290E-01 Pxc 0.5323159E+01 Qxc -0.2519290E+01 3,-1 155 3 +3 2.323183 0.007725 0.061023 Rho 0.4165113E-02 |GRAD(Rho)| 0.1477549E-14 GRAD(Rho)x -0.1087910E-14 GRAD(Rho)y -0.6867529E-15 GRAD(Rho)z 0.7266187E-15 Laplacian 0.1689966E-01 (-1/4)Del**2(Rho)) -0.4224915E-02 Diamond 0.1311492E-03 Metallicity 0.4396562E+00 Ellipticity -0.3396401E+00 Gb(Abramov) 0.3126195E-02 Vb(Abramov) -0.2027475E-02 Hb(Abramov) 0.1098720E-02 Ex_ueg -0.4949418E-03 Ec_ueg -0.1111631E-03 Delta_ex -0.6016353E-03 Delta_ec 0.1574030E-03 Delta_et -0.9630591E-03 Pxc 0.4452395E+01 Qxc -0.3822260E+01 3,+3 156 3 +1 2.964649 -0.127955 0.216361 Rho 0.4921266E-02 |GRAD(Rho)| 0.1373864E-17 GRAD(Rho)x -0.1904287E-19 GRAD(Rho)y -0.1373535E-17 GRAD(Rho)z -0.2325385E-19 Laplacian 0.2004645E-01 (-1/4)Del**2(Rho)) -0.5011613E-02 Diamond 0.4419918E-03 Metallicity 0.4894448E+00 Ellipticity -0.2463471E+01 Gb(Abramov) 0.3749893E-02 Vb(Abramov) -0.2488174E-02 Hb(Abramov) 0.1261720E-02 Ex_ueg -0.6182359E-03 Ec_ueg -0.1435261E-03 Delta_ex -0.9788272E-03 Delta_ec 0.6047899E-03 Delta_et -0.3279611E-02 Pxc 0.4307479E+01 Qxc -0.1618458E+01 3,+1 157 3 -1 1.825673 -2.859387 -0.628987 Rho 0.2000977E+00 |GRAD(Rho)| 0.2697311E-13 GRAD(Rho)x 0.1998944E-13 GRAD(Rho)y 0.6061774E-14 GRAD(Rho)z 0.1706534E-13 Laplacian 0.7646953E+00 (-1/4)Del**2(Rho)) -0.1911738E+00 Diamond 0.2160557E+01 Metallicity 0.6168716E+01 Ellipticity 0.6624632E-02 Gb(Abramov) 0.3239987E+00 Vb(Abramov) -0.4568236E+00 Hb(Abramov) -0.1328249E+00 Ex_ueg -0.8643860E-01 Ec_ueg -0.1172455E-01 Delta_ex -0.8806367E-01 Delta_ec 0.1763730E-01 Delta_et -0.2412475E+00 Pxc 0.7372444E+01 Qxc -0.4993037E+01 3,-1 158 3 -1 1.990419 -3.000500 0.818824 Rho 0.1177290E+00 |GRAD(Rho)| 0.2580241E-15 GRAD(Rho)x 0.1951970E-15 GRAD(Rho)y -0.3967841E-16 GRAD(Rho)z -0.1640127E-15 Laplacian 0.4514852E+00 (-1/4)Del**2(Rho)) -0.1128713E+00 Diamond 0.6856125E+00 Metallicity 0.4316271E+01 Ellipticity 0.2854067E-01 Gb(Abramov) 0.1564447E+00 Vb(Abramov) -0.2000181E+00 Hb(Abramov) -0.4357342E-01 Ex_ueg -0.4261505E-01 Ec_ueg -0.6410999E-02 Delta_ex -0.4575054E-01 Delta_ec 0.1218467E-01 Delta_et -0.1561556E+00 Pxc 0.6647177E+01 Qxc -0.3754763E+01 3,-1 159 3 +1 1.411699 -2.194219 1.000623 Rho 0.2843763E-01 |GRAD(Rho)| 0.5016060E-16 GRAD(Rho)x -0.3025780E-16 GRAD(Rho)y 0.3937111E-16 GRAD(Rho)z 0.7104012E-17 Laplacian 0.1134053E+00 (-1/4)Del**2(Rho)) -0.2835133E-01 Diamond 0.1613112E-01 Metallicity 0.1609912E+01 Ellipticity -0.2715752E+01 Gb(Abramov) 0.2650808E-01 Vb(Abramov) -0.2466482E-01 Hb(Abramov) 0.1843253E-02 Ex_ueg -0.6410762E-02 Ec_ueg -0.1263304E-02 Delta_ex -0.7156567E-02 Delta_ec 0.1666225E-02 Delta_et -0.1520844E-01 Pxc 0.5074601E+01 Qxc -0.4295078E+01 3,+1 160 3 -1 1.688132 -1.781104 0.454385 Rho 0.4299820E-01 |GRAD(Rho)| 0.8910437E-16 GRAD(Rho)x -0.7484574E-16 GRAD(Rho)y 0.4832217E-16 GRAD(Rho)z -0.1634456E-17 Laplacian 0.1758001E+00 (-1/4)Del**2(Rho)) -0.4395002E-01 Diamond 0.7449177E-01 Metallicity 0.2068607E+01 Ellipticity 0.2075980E-01 Gb(Abramov) 0.4445256E-01 Vb(Abramov) -0.4495511E-01 Hb(Abramov) -0.5025460E-03 Ex_ueg -0.1112548E-01 Ec_ueg -0.2031662E-02 Delta_ex -0.1403419E-01 Delta_ec 0.5422592E-02 Delta_et -0.5497610E-01 Pxc 0.5476050E+01 Qxc -0.2588096E+01 3,-1 161 3 -1 1.801064 2.784760 0.561215 Rho 0.1247560E+00 |GRAD(Rho)| 0.1624074E-15 GRAD(Rho)x -0.2240233E-16 GRAD(Rho)y 0.1502772E-15 GRAD(Rho)z -0.5736785E-16 Laplacian 0.5195124E+00 (-1/4)Del**2(Rho)) -0.1298781E+00 Diamond 0.8353832E+00 Metallicity 0.4131612E+01 Ellipticity 0.2670814E-02 Gb(Abramov) 0.1760197E+00 Vb(Abramov) -0.2221613E+00 Hb(Abramov) -0.4614162E-01 Ex_ueg -0.4603981E-01 Ec_ueg -0.6847706E-02 Delta_ex -0.5324370E-01 Delta_ec 0.1359337E-01 Delta_et -0.1755544E+00 Pxc 0.6723392E+01 Qxc -0.3916886E+01 3,-1 162 3 -1 2.006857 2.959348 -0.828978 Rho 0.1091816E+00 |GRAD(Rho)| 0.3370704E-15 GRAD(Rho)x 0.2470050E-15 GRAD(Rho)y -0.8518780E-16 GRAD(Rho)z 0.2129509E-15 Laplacian 0.4258139E+00 (-1/4)Del**2(Rho)) -0.1064535E+00 Diamond 0.5855346E+00 Metallicity 0.4036226E+01 Ellipticity 0.2234236E-01 Gb(Abramov) 0.1425807E+00 Vb(Abramov) -0.1787079E+00 Hb(Abramov) -0.3612722E-01 Ex_ueg -0.3854051E-01 Ec_ueg -0.5884517E-02 Delta_ex -0.4231046E-01 Delta_ec 0.1155568E-01 Delta_et -0.1458756E+00 Pxc 0.6549476E+01 Qxc -0.3661442E+01 3,-1 163 3 -1 1.963502 -0.620033 -2.821520 Rho 0.1453994E+00 |GRAD(Rho)| 0.7987430E-13 GRAD(Rho)x 0.4299004E-13 GRAD(Rho)y 0.6622345E-13 GRAD(Rho)z 0.1209192E-13 Laplacian 0.5493067E+00 (-1/4)Del**2(Rho)) -0.1373267E+00 Diamond 0.1082519E+01 Metallicity 0.5043544E+01 Ellipticity 0.1172900E+00 Gb(Abramov) 0.2069866E+00 Vb(Abramov) -0.2766466E+00 Hb(Abramov) -0.6965996E-01 Ex_ueg -0.5646792E-01 Ec_ueg -0.8149661E-02 Delta_ex -0.5864753E-01 Delta_ec 0.1423461E-01 Delta_et -0.1890738E+00 Pxc 0.6928867E+01 Qxc -0.4120065E+01 3,-1 164 3 -1 1.972934 -0.879247 3.031541 Rho 0.1487691E+00 |GRAD(Rho)| 0.1670979E-15 GRAD(Rho)x -0.8348357E-16 GRAD(Rho)y -0.1426539E-15 GRAD(Rho)z 0.2453685E-16 Laplacian 0.5779679E+00 (-1/4)Del**2(Rho)) -0.1444920E+00 Diamond 0.1153208E+01 Metallicity 0.4980016E+01 Ellipticity 0.5563611E-01 Gb(Abramov) 0.2162567E+00 Vb(Abramov) -0.2880214E+00 Hb(Abramov) -0.7176473E-01 Ex_ueg -0.5821953E-01 Ec_ueg -0.8364766E-02 Delta_ex -0.6187722E-01 Delta_ec 0.1457734E-01 Delta_et -0.1935629E+00 Pxc 0.6960091E+01 Qxc -0.4244754E+01 3,-1 165 3 -1 1.756172 0.514137 -1.749946 Rho 0.3896713E-01 |GRAD(Rho)| 0.3239165E-15 GRAD(Rho)x 0.2727590E-15 GRAD(Rho)y 0.1725831E-15 GRAD(Rho)z 0.2719378E-16 Laplacian 0.1610357E+00 (-1/4)Del**2(Rho)) -0.4025891E-01 Diamond 0.5905520E-01 Metallicity 0.1916557E+01 Ellipticity 0.2569598E-01 Gb(Abramov) 0.3969903E-01 Vb(Abramov) -0.3913914E-01 Hb(Abramov) 0.5598862E-03 Ex_ueg -0.9756999E-02 Ec_ueg -0.1814772E-02 Delta_ex -0.1250934E-01 Delta_ec 0.4902033E-02 Delta_et -0.4838409E-01 Pxc 0.5376433E+01 Qxc -0.2551867E+01 3,-1 166 3 -1 1.818495 0.530788 2.792251 Rho 0.1028455E+00 |GRAD(Rho)| 0.9199443E-13 GRAD(Rho)x 0.6812934E-13 GRAD(Rho)y -0.6170453E-13 GRAD(Rho)z -0.3730785E-14 Laplacian 0.4322473E+00 (-1/4)Del**2(Rho)) -0.1080618E+00 Diamond 0.5530649E+00 Metallicity 0.3599067E+01 Ellipticity 0.1329407E-01 Gb(Abramov) 0.1368615E+00 Vb(Abramov) -0.1656612E+00 Hb(Abramov) -0.2879969E-01 Ex_ueg -0.3558762E-01 Ec_ueg -0.5497745E-02 Delta_ex -0.4235030E-01 Delta_ec 0.1188927E-01 Delta_et -0.1483923E+00 Pxc 0.6473131E+01 Qxc -0.3562060E+01 3,-1 167 3 -1 2.033997 0.821874 -2.999913 Rho 0.1370591E+00 |GRAD(Rho)| 0.3655163E-15 GRAD(Rho)x -0.2231966E-15 GRAD(Rho)y 0.1996152E-15 GRAD(Rho)z -0.2096169E-15 Laplacian 0.5372835E+00 (-1/4)Del**2(Rho)) -0.1343209E+00 Diamond 0.9721624E+00 Metallicity 0.4672934E+01 Ellipticity 0.5194692E-01 Gb(Abramov) 0.1941593E+00 Vb(Abramov) -0.2539978E+00 Hb(Abramov) -0.5983848E-01 Ex_ueg -0.5219101E-01 Ec_ueg -0.7620331E-02 Delta_ex -0.5638709E-01 Delta_ec 0.1384062E-01 Delta_et -0.1816288E+00 Pxc 0.6848916E+01 Qxc -0.4074029E+01 3,-1 168 3 -1 2.788112 -1.816151 -0.594376 Rho 0.1321039E+00 |GRAD(Rho)| 0.1860113E-13 GRAD(Rho)x 0.3430365E-14 GRAD(Rho)y -0.1713006E-13 GRAD(Rho)z 0.6387171E-14 Laplacian 0.5385957E+00 (-1/4)Del**2(Rho)) -0.1346489E+00 Diamond 0.9288463E+00 Metallicity 0.4384060E+01 Ellipticity 0.1091642E-01 Gb(Abramov) 0.1881508E+00 Vb(Abramov) -0.2416527E+00 Hb(Abramov) -0.5350186E-01 Ex_ueg -0.4969043E-01 Ec_ueg -0.7307950E-02 Delta_ex -0.5598063E-01 Delta_ec 0.1392443E-01 Delta_et -0.1815433E+00 Pxc 0.6799503E+01 Qxc -0.4020317E+01 3,-1 169 3 -1 1.738635 1.702127 -0.511059 Rho 0.3827787E-01 |GRAD(Rho)| 0.1771902E-14 GRAD(Rho)x 0.1189742E-14 GRAD(Rho)y 0.1138867E-14 GRAD(Rho)z 0.6535528E-15 Laplacian 0.1572677E+00 (-1/4)Del**2(Rho)) -0.3931693E-01 Diamond 0.5644186E-01 Metallicity 0.1904963E+01 Ellipticity 0.1235745E-01 Gb(Abramov) 0.3869417E-01 Vb(Abramov) -0.3807141E-01 Hb(Abramov) 0.6227620E-03 Ex_ueg -0.9527569E-02 Ec_ueg -0.1777982E-02 Delta_ex -0.1217241E-01 Delta_ec 0.4804419E-02 Delta_et -0.4719237E-01 Pxc 0.5358640E+01 Qxc -0.2533586E+01 3,-1 170 3 +1 2.951395 0.147479 -0.062856 Rho 0.4981609E-02 |GRAD(Rho)| 0.9881771E-17 GRAD(Rho)x -0.4053327E-18 GRAD(Rho)y 0.6234409E-17 GRAD(Rho)z 0.7656190E-17 Laplacian 0.2026689E-01 (-1/4)Del**2(Rho)) -0.5066722E-02 Diamond 0.5134597E-03 Metallicity 0.4940553E+00 Ellipticity -0.8822341E+01 Gb(Abramov) 0.3795022E-02 Vb(Abramov) -0.2523321E-02 Hb(Abramov) 0.1271701E-02 Ex_ueg -0.6283640E-03 Ec_ueg -0.1461215E-03 Delta_ex -0.1047217E-02 Delta_ec 0.7101111E-03 Delta_et -0.3823144E-02 Pxc 0.4300285E+01 Qxc -0.1474723E+01 3,+1 171 3 -1 3.013343 1.997216 -0.808385 Rho 0.1422810E+00 |GRAD(Rho)| 0.1764545E-13 GRAD(Rho)x -0.5879791E-14 GRAD(Rho)y -0.1419294E-13 GRAD(Rho)z -0.8680461E-14 Laplacian 0.5548596E+00 (-1/4)Del**2(Rho)) -0.1387149E+00 Diamond 0.1050589E+01 Metallicity 0.4815874E+01 Ellipticity 0.4853188E-01 Gb(Abramov) 0.2038155E+00 Vb(Abramov) -0.2689161E+00 Hb(Abramov) -0.6510062E-01 Ex_ueg -0.5485899E-01 Ec_ueg -0.7951235E-02 Delta_ex -0.5877034E-01 Delta_ec 0.1417299E-01 Delta_et -0.1870532E+00 Pxc 0.6899429E+01 Qxc -0.4146645E+01 3,-1 172 3 -1 2.953387 0.101865 -0.015674 Rho 0.4982383E-02 |GRAD(Rho)| 0.1869767E-16 GRAD(Rho)x 0.4046218E-18 GRAD(Rho)y -0.1271989E-16 GRAD(Rho)z -0.1369831E-16 Laplacian 0.2005015E-01 (-1/4)Del**2(Rho)) -0.5012537E-02 Diamond 0.5347482E-03 Metallicity 0.4995252E+00 Ellipticity 0.8661336E+01 Gb(Abramov) 0.3759006E-02 Vb(Abramov) -0.2505475E-02 Hb(Abramov) 0.1253531E-02 Ex_ueg -0.6284941E-03 Ec_ueg -0.1461547E-03 Delta_ex -0.1060932E-02 Delta_ec 0.7469468E-03 Delta_et -0.4005502E-02 Pxc 0.4300196E+01 Qxc -0.1420359E+01 3,-1 173 3 -1 2.782241 0.540095 1.867482 Rho 0.1067901E+00 |GRAD(Rho)| 0.2316179E-12 GRAD(Rho)x -0.1662336E-13 GRAD(Rho)y -0.1599456E-12 GRAD(Rho)z 0.1666970E-12 Laplacian 0.4423569E+00 (-1/4)Del**2(Rho)) -0.1105892E+00 Diamond 0.5947172E+00 Metallicity 0.3744485E+01 Ellipticity 0.1476203E-01 Gb(Abramov) 0.1427427E+00 Vb(Abramov) -0.1748963E+00 Hb(Abramov) -0.3215353E-01 Ex_ueg -0.3741908E-01 Ec_ueg -0.5738176E-02 Delta_ex -0.4376379E-01 Delta_ec 0.1213351E-01 Delta_et -0.1526297E+00 Pxc 0.6521075E+01 Qxc -0.3606853E+01 3,-1 174 3 -1 3.029287 0.861594 -1.984552 Rho 0.1216543E+00 |GRAD(Rho)| 0.3433524E-15 GRAD(Rho)x 0.1129569E-15 GRAD(Rho)y 0.2230543E-15 GRAD(Rho)z 0.2353261E-15 Laplacian 0.4888511E+00 (-1/4)Del**2(Rho)) -0.1222128E+00 Diamond 0.7651435E+00 Metallicity 0.4210324E+01 Ellipticity 0.3336051E-01 Gb(Abramov) 0.1672344E+00 Vb(Abramov) -0.2122561E+00 Hb(Abramov) -0.4502165E-01 Ex_ueg -0.4451998E-01 Ec_ueg -0.6654523E-02 Delta_ex -0.4983229E-01 Delta_ec 0.1292631E-01 Delta_et -0.1663366E+00 Pxc 0.6690183E+01 Qxc -0.3855105E+01 3,-1 175 3 -1 3.187343 -3.217686 -0.111193 Rho 0.2315090E+00 |GRAD(Rho)| 0.6928087E-15 GRAD(Rho)x 0.2617806E-15 GRAD(Rho)y 0.6402214E-15 GRAD(Rho)z 0.3964114E-16 Laplacian 0.8385760E+00 (-1/4)Del**2(Rho)) -0.2096440E+00 Diamond 0.2845911E+01 Metallicity 0.7172721E+01 Ellipticity 0.9812304E-02 Gb(Abramov) 0.3903823E+00 Vb(Abramov) -0.5711206E+00 Hb(Abramov) -0.1807383E+00 Ex_ueg -0.1049886E+00 Ec_ueg -0.1385413E-01 Delta_ex -0.1004033E+00 Delta_ec 0.1878112E-01 Delta_et -0.2600367E+00 Pxc 0.7578146E+01 Qxc -0.5345972E+01 3,-1 176 3 -1 2.967617 -1.993921 0.816404 Rho 0.7903866E-01 |GRAD(Rho)| 0.6888184E-16 GRAD(Rho)x 0.3429467E-16 GRAD(Rho)y -0.5799296E-16 GRAD(Rho)z 0.1433180E-16 Laplacian 0.3126504E+00 (-1/4)Del**2(Rho)) -0.7816260E-01 Diamond 0.2907976E+00 Metallicity 0.3208388E+01 Ellipticity 0.5250434E-02 Gb(Abramov) 0.9390439E-01 Vb(Abramov) -0.1096462E+00 Hb(Abramov) -0.1574179E-01 Ex_ueg -0.2505174E-01 Ec_ueg -0.4073893E-02 Delta_ex -0.2882767E-01 Delta_ec 0.9091157E-02 Delta_et -0.1073740E+00 Pxc 0.6149336E+01 Qxc -0.3170957E+01 3,-1 177 3 -1 2.790947 1.824722 0.618486 Rho 0.1559835E+00 |GRAD(Rho)| 0.9536162E-16 GRAD(Rho)x 0.8053589E-16 GRAD(Rho)y -0.2976135E-16 GRAD(Rho)z 0.4149784E-16 Laplacian 0.6569146E+00 (-1/4)Del**2(Rho)) -0.1642287E+00 Diamond 0.1366243E+01 Metallicity 0.4741350E+01 Ellipticity 0.3375787E-01 Gb(Abramov) 0.2392634E+00 Vb(Abramov) -0.3142981E+00 Hb(Abramov) -0.7503470E-01 Ex_ueg -0.6201403E-01 Ec_ueg -0.8827638E-02 Delta_ex -0.7095534E-01 Delta_ec 0.1601533E-01 Delta_et -0.2131344E+00 Pxc 0.7024985E+01 Qxc -0.4430464E+01 3,-1 178 3 -1 3.208041 3.189465 0.109734 Rho 0.2370311E+00 |GRAD(Rho)| 0.2219828E-12 GRAD(Rho)x -0.1479676E-12 GRAD(Rho)y -0.1602399E-12 GRAD(Rho)z -0.4129336E-13 Laplacian 0.8446767E+00 (-1/4)Del**2(Rho)) -0.2111692E+00 Diamond 0.2960178E+01 Metallicity 0.7406249E+01 Ellipticity 0.1600882E-02 Gb(Abramov) 0.4014413E+00 Vb(Abramov) -0.5917135E+00 Hb(Abramov) -0.1902722E+00 Ex_ueg -0.1083408E+00 Ec_ueg -0.1423413E-01 Delta_ex -0.1018163E+00 Delta_ec 0.1889479E-01 Delta_et -0.2623327E+00 Pxc 0.7611346E+01 Qxc -0.5388591E+01 3,-1 179 3 -1 2.841806 -0.543792 -1.804451 Rho 0.1273226E+00 |GRAD(Rho)| 0.1941792E-15 GRAD(Rho)x 0.6771520E-16 GRAD(Rho)y -0.1489084E-15 GRAD(Rho)z 0.1046255E-15 Laplacian 0.5166883E+00 (-1/4)Del**2(Rho)) -0.1291721E+00 Diamond 0.8509597E+00 Metallicity 0.4297609E+01 Ellipticity 0.1413167E-01 Gb(Abramov) 0.1786366E+00 Vb(Abramov) -0.2281010E+00 Hb(Abramov) -0.4946449E-01 Ex_ueg -0.4730702E-01 Ec_ueg -0.7008056E-02 Delta_ex -0.5320878E-01 Delta_ec 0.1344368E-01 Delta_et -0.1741836E+00 Pxc 0.6750378E+01 Qxc -0.3957903E+01 3,-1 180 3 -1 3.013469 -0.867809 2.040814 Rho 0.1767537E+00 |GRAD(Rho)| 0.4680612E-12 GRAD(Rho)x -0.1716898E-12 GRAD(Rho)y 0.3140004E-12 GRAD(Rho)z 0.3016748E-12 Laplacian 0.6830318E+00 (-1/4)Del**2(Rho)) -0.1707580E+00 Diamond 0.1667811E+01 Metallicity 0.5616337E+01 Ellipticity 0.6768004E-01 Gb(Abramov) 0.2736777E+00 Vb(Abramov) -0.3765974E+00 Hb(Abramov) -0.1029197E+00 Ex_ueg -0.7326161E-01 Ec_ueg -0.1017761E-01 Delta_ex -0.7626074E-01 Delta_ec 0.1636416E-01 Delta_et -0.2215834E+00 Pxc 0.7198315E+01 Qxc -0.4660229E+01 3,-1 181 3 -1 3.192280 0.000462 3.253968 Rho 0.2360423E+00 |GRAD(Rho)| 0.1617167E-14 GRAD(Rho)x -0.1118626E-14 GRAD(Rho)y -0.4786210E-15 GRAD(Rho)z -0.1065283E-14 Laplacian 0.8420656E+00 (-1/4)Del**2(Rho)) -0.2105164E+00 Diamond 0.2934558E+01 Metallicity 0.7377632E+01 Ellipticity 0.4309917E-02 Gb(Abramov) 0.3991963E+00 Vb(Abramov) -0.5878763E+00 Hb(Abramov) -0.1886799E+00 Ex_ueg -0.1077386E+00 Ec_ueg -0.1416596E-01 Delta_ex -0.1013821E+00 Delta_ec 0.1884334E-01 Delta_et -0.2615036E+00 Pxc 0.7605461E+01 Qxc -0.5380260E+01 3,-1 182 3 -1 3.304022 -0.004924 -3.189020 Rho 0.2363402E+00 |GRAD(Rho)| 0.6291258E-15 GRAD(Rho)x 0.4127558E-15 GRAD(Rho)y -0.8791524E-16 GRAD(Rho)z -0.4665864E-15 Laplacian 0.8427715E+00 (-1/4)Del**2(Rho)) -0.2106929E+00 Diamond 0.2941730E+01 Metallicity 0.7386965E+01 Ellipticity 0.9394672E-03 Gb(Abramov) 0.3998587E+00 Vb(Abramov) -0.5890246E+00 Hb(Abramov) -0.1891659E+00 Ex_ueg -0.1079200E+00 Ec_ueg -0.1418649E-01 Delta_ex -0.1015018E+00 Delta_ec 0.1885460E-01 Delta_et -0.2616840E+00 Pxc 0.7607237E+01 Qxc -0.5383395E+01 3,-1 183 3 -1 -2.794767 0.547667 -1.779689 Rho 0.1448462E+00 |GRAD(Rho)| 0.1087719E-15 GRAD(Rho)x -0.1037581E-15 GRAD(Rho)y -0.1722526E-16 GRAD(Rho)z -0.2772847E-16 Laplacian 0.6124890E+00 (-1/4)Del**2(Rho)) -0.1531222E+00 Diamond 0.1191529E+01 Metallicity 0.4494626E+01 Ellipticity 0.5793259E-02 Gb(Abramov) 0.2167860E+00 Vb(Abramov) -0.2804498E+00 Hb(Abramov) -0.6366379E-01 Ex_ueg -0.5618167E-01 Ec_ueg -0.8114419E-02 Delta_ex -0.6522821E-01 Delta_ec 0.1570055E-01 Delta_et -0.2080253E+00 Pxc 0.6923684E+01 Qxc -0.4154517E+01 3,-1 184 3 -1 -2.104004 -3.040999 -0.769257 Rho 0.1279185E+00 |GRAD(Rho)| 0.1156297E-12 GRAD(Rho)x -0.2978656E-13 GRAD(Rho)y -0.3524443E-14 GRAD(Rho)z -0.1116717E-12 Laplacian 0.4593823E+00 (-1/4)Del**2(Rho)) -0.1148456E+00 Diamond 0.7828633E+00 Metallicity 0.4871483E+01 Ellipticity 0.1169717E+00 Gb(Abramov) 0.1698084E+00 Vb(Abramov) -0.2247713E+00 Hb(Abramov) -0.5496286E-01 Ex_ueg -0.4760248E-01 Ec_ueg -0.7045350E-02 Delta_ex -0.4763202E-01 Delta_ec 0.1242370E-01 Delta_et -0.1619836E+00 Pxc 0.6756581E+01 Qxc -0.3833965E+01 3,-1 185 3 -1 0.501182 -1.759876 1.675119 Rho 0.5198153E-01 |GRAD(Rho)| 0.5381169E-16 GRAD(Rho)x 0.2038851E-16 GRAD(Rho)y -0.5850033E-17 GRAD(Rho)z -0.4945487E-16 Laplacian 0.2092587E+00 (-1/4)Del**2(Rho)) -0.5231468E-01 Diamond 0.1108037E+00 Metallicity 0.2384211E+01 Ellipticity 0.1598875E-01 Gb(Abramov) 0.5566466E-01 Vb(Abramov) -0.5901464E-01 Hb(Abramov) -0.3349982E-02 Ex_ueg -0.1432794E-01 Ec_ueg -0.2524695E-02 Delta_ex -0.1735205E-01 Delta_ec 0.6157945E-02 Delta_et -0.6557055E-01 Pxc 0.5675118E+01 Qxc -0.2817831E+01 3,-1 186 3 -1 -1.667087 -2.185962 -3.087766 Rho 0.3231820E+00 |GRAD(Rho)| 0.5146611E-15 GRAD(Rho)x 0.3957118E-15 GRAD(Rho)y 0.2537626E-16 GRAD(Rho)z 0.3280919E-15 Laplacian -0.1659227E+01 (-1/4)Del**2(Rho)) 0.4148066E+00 Diamond 0.5833529E+01 Metallicity -0.6321006E+01 Ellipticity 0.1755250E-02 Gb(Abramov) 0.1604614E+00 Vb(Abramov) -0.7357295E+00 Hb(Abramov) -0.5752681E+00 Ex_ueg -0.1638003E+00 Ec_ueg -0.2037928E-01 Delta_ex 0.1659970E+00 Delta_ec 0.5766849E-01 Delta_et -0.1375308E+01 Pxc 0.8037589E+01 Qxc 0.2878470E+01 3,-1 187 3 -1 1.218351 -1.806953 -2.575170 Rho 0.3082991E+00 |GRAD(Rho)| 0.5718907E-15 GRAD(Rho)x 0.1821172E-15 GRAD(Rho)y -0.5406311E-15 GRAD(Rho)z 0.4012988E-16 Laplacian -0.1531533E+01 (-1/4)Del**2(Rho)) 0.3828833E+00 Diamond 0.5235533E+01 Metallicity -0.6330535E+01 Ellipticity 0.4593537E-02 Gb(Abramov) 0.1487205E+00 Vb(Abramov) -0.6803244E+00 Hb(Abramov) -0.5316039E+00 Ex_ueg -0.1538207E+00 Ec_ueg -0.1928836E-01 Delta_ex 0.1498500E+00 Delta_ec 0.5423620E-01 Delta_et -0.1265035E+01 Pxc 0.7974791E+01 Qxc 0.2762914E+01 3,-1 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 185 118 127 146 143 128 140 139 142 123 141 103 132 121 149 134 131 148 147 116 133 136 160 168 157 176 158 175 169 177 161 171 162 178 91 90 104 81 98 67 93 80 60 63 184 78 74 183 99 65 96 71 100 88 106 76 101 73 154 173 166 180 164 181 165 179 163 174 167 182 137 145 72 172 86 187 135 126 151 186 92 111 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 14 14 17 18 21 21 25 28 28 36 37 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 21 28 19 20 36 54 27 53 54 52 52 53 2.354959 1.972699 1.878502 1.999728 1.920227 1.733253 1.707797 1.686561 1.705581 1.716746 2.340444 1.996791 1.913097 1.975767 1.893756 1.732421 2.382300 1.871102 1.912036 1.971469 2.002346 1.733448 2.414037 1.941679 1.787177 2.161056 1.999243 1.730739 2.461790 1.871790 1.962347 1.921534 2.028885 1.721650 2.409113 1.955133 1.975464 1.942359 1.913568 1.721227 2.391249 1.926483 2.034505 1.882821 1.976785 1.721840 2.325612 1.926408 1.887614 2.042516 1.934601 1.733296 2.379434 1.946856 1.908520 1.962913 1.930113 1.731681 2.475206 2.024213 2.039471 1.835424 1.902382 1.723159 2.453385 1.956770 1.917836 1.982689 1.935771 1.722811 3.230889 3.142605 3.231998 3.296775 3.328217 1.006284 3.230302 1.921505 1.681195 0.991673 1.973918 0.993202 2.356627 1.973039 1.879015 2.000407 1.920863 1.733260 1.707814 1.686609 1.705594 1.716752 2.342149 1.997153 1.913576 1.976413 1.894302 1.732431 2.384044 1.871497 1.912470 1.972093 2.003020 1.733456 2.415574 1.942200 1.787335 2.161899 2.000122 1.730766 2.463426 1.872323 1.962914 1.922286 2.029693 1.721663 2.410544 1.955719 1.975996 1.943120 1.914306 1.721246 2.393431 1.927152 2.035029 1.883531 1.978355 1.721862 2.327498 1.926844 1.887966 2.043071 1.936075 1.733304 2.381084 1.947327 1.908985 1.963556 1.930733 1.731686 2.476885 2.024783 2.040087 1.835957 1.903060 1.723178 2.455022 1.957467 1.919298 1.983535 1.936559 1.722824 3.265686 3.148257 3.239419 3.307927 3.333087 1.006387 3.236960 1.922973 1.685260 0.991805 1.986231 0.993348 30 25 26 28 27 23 22 22 22 21 30 26 28 26 27 25 32 28 28 26 27 24 29 25 24 29 25 24 29 29 28 27 26 24 31 28 25 27 27 23 28 26 26 26 28 23 30 27 27 27 25 23 28 27 26 27 26 23 29 28 25 24 25 22 29 27 26 27 25 23 35 35 35 35 35 19 35 26 23 22 26 22 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 W As W W Mo Mo Mo Mo W W 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 H H H 2.4707 2.4522 2.4806 2.4974 2.2980 2.3669 2.3738 2.3666 2.5022 2.4897 2.3431 2.3451 -1.1236 -1.0392 -1.1247 -1.1322 -0.9180 -0.9223 -0.9220 -0.8957 -0.7279 -0.9251 -0.9532 -0.9506 -0.9271 -0.9368 -0.9272 -0.8274 -0.8680 -0.9048 -0.8938 -0.9143 -0.9146 -0.9155 -0.9583 -0.7648 -0.7899 -0.9117 -0.9361 -0.9177 -0.7646 -0.6888 -0.7593 -0.7682 -0.7093 -0.6874 -0.6836 -0.6838 -0.7621 -0.7622 -0.6916 0.2958 0.3241 0.2972 2.0936 0.8208 2.0906 2.0807 1.9607 1.9320 1.9511 1.9700 2.0994 2.0864 1.9463 1.9407 1.9373 1.9461 1.9371 1.9326 1.9378 1.9412 1.9369 1.9438 1.8824 1.9389 1.9362 1.9346 1.9367 1.9375 1.9380 1.9752 1.9577 1.9507 1.9498 1.9483 1.9501 1.9506 1.9472 1.8826 1.8843 1.9499 1.9482 1.9494 1.9704 1.9800 1.9706 1.9697 1.9779 1.9817 1.9815 1.9811 1.9694 1.9706 1.9807 0.5707 0.5414 0.5377 6.0956 1.1715 6.0920 6.0847 6.0850 6.0672 6.0558 6.0607 6.0887 6.0885 6.0684 6.0779 5.1489 5.0552 5.1501 5.1623 4.9518 4.9551 4.9571 4.9251 4.8151 4.9580 4.9868 4.9858 4.9624 4.9706 4.9604 4.8207 4.8817 4.9233 4.9158 4.9358 4.9340 4.9356 4.9785 4.8507 4.8754 4.9321 4.9578 4.9377 4.7575 4.6742 4.7517 4.7619 4.6981 4.6708 4.6673 4.6680 4.7562 4.7547 4.6763 0.1335 0.1345 0.1652 3.3109 10.5555 3.3077 3.3080 3.6562 3.6340 3.6193 3.6027 3.2805 3.3061 3.6423 3.6364 0.0374 0.0379 0.0375 0.0373 0.0284 0.0260 0.0280 0.0267 0.0304 0.0282 0.0302 0.0302 0.0279 0.0286 0.0288 0.0316 0.0285 0.0309 0.0282 0.0302 0.0305 0.0293 0.0326 0.0314 0.0301 0.0298 0.0301 0.0307 0.0367 0.0346 0.0369 0.0366 0.0333 0.0349 0.0348 0.0347 0.0365 0.0369 0.0347 0.0000 0.0000 0.0000 14.0292 0.0000 14.0291 14.0293 0.0000 0.0000 0.0000 0.0000 14.0292 14.0293 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 W As W W Mo Mo Mo Mo W W 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 H H H 2.513327 2.315845 2.517460 2.513183 3.148665 3.177875 3.181544 3.182060 2.533287 2.517077 3.170998 3.174213 -1.168657 -1.076722 -1.165751 -1.143955 -1.066308 -1.179582 -1.064262 -1.166230 -0.723324 -1.036597 -0.941305 -0.948389 -1.056097 -1.037585 -1.059802 -0.904157 -1.119019 -1.038857 -1.145977 -1.036026 -1.049279 -1.031360 -0.925917 -0.582704 -0.663240 -1.041677 -1.032331 -1.010260 -0.792122 -0.959757 -0.786498 -0.796890 -0.980851 -0.953938 -0.952434 -0.951073 -0.790576 -0.789562 -0.959118 0.069824 0.065982 0.046853 1.951874 1.686469 1.959197 1.955808 2.343207 2.379528 2.367632 2.347072 1.959792 1.949487 2.378079 2.350900 -0.862402 -0.782923 -0.859100 -0.818220 -0.804836 -0.912916 -0.808048 -0.914340 -0.798113 -0.810794 -0.699315 -0.713171 -0.810208 -0.800660 -0.809999 -0.727357 -0.910980 -0.837948 -0.913080 -0.840173 -0.845549 -0.818412 -0.752372 -0.739866 -0.823885 -0.843440 -0.838787 -0.832370 -0.672302 -0.705338 -0.665437 -0.678462 -0.740494 -0.711336 -0.718900 -0.701814 -0.664903 -0.674139 -0.715137 0.352649 0.312464 0.283366 2.046764 1.668430 2.052893 2.051385 2.410070 2.459695 2.447593 2.492367 2.081212 2.048471 2.456804 2.451896 -0.869680 -0.860020 -0.871665 -0.850442 -0.885944 -0.996132 -0.888182 -0.988053 -0.861537 -0.891631 -0.785121 -0.786223 -0.894141 -0.921053 -0.884138 -0.806996 -0.933908 -0.890134 -0.959613 -0.874240 -0.879514 -0.869799 -0.791242 -0.798940 -0.916823 -0.873191 -0.895856 -0.872057 -0.633701 -0.682756 -0.628668 -0.643556 -0.705506 -0.671401 -0.683423 -0.692523 -0.660157 -0.637929 -0.680232 0.486482 0.407999 0.354066 1.05745871 -2.30636238 -2.62541059 3.65106931 -7.02856392 1.30752119 -2.58798577 10.06511453 15.04634286 -3.03655061 -358.1789 408.7418 -115.2419 -361.5403 -18.6962 -444.9155 Jun10-2024 17:36:39 Nodes: 1 Procs: 1 Jun10-2024 17:36:40 Nodes: 1 Procs: 1 0 Jun10-2024 17:36:42 Nodes: 1 Procs: 1 Jun10-2024 17:36:44 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 17:36:46 Nodes: 1 Procs: 1 Jun10-2024 17:36:48 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 17:36:50 Nodes: 1 Procs: 1 Jun10-2024 17:36:51 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 17:36:53 Nodes: 1 Procs: 1 Jun10-2024 17:36:55 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 17:37:00 Nodes: 1 Procs: 5 *** (NO TITLE) *** -4 -15.78624502 -16.17927072 -15.82721183 -16.15243687 -16.29027535 -16.31694385 -16.33411381 -16.33559614 -16.33742198 -16.33834476 -16.33915036 -16.34279104 -16.33427424 -16.34355933 -16.34663460 -16.34691781 -16.34710259 -16.34883956 -16.34919308 -16.34934067 -16.34946558 -16.34962018 -16.34973912 -16.34986057 -16.34996677 -16.35002431 -16.35008749 -16.35014326 -16.35017915 -16.35021664 -16.35023461 -16.35025155 -16.35027434 -16.35028688 -16.35030416 -16.35032423 -16.35034282 GEOMETRY CONVERGED