ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:14:14 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.76 0.04 2.01 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 18:14:14 Nodes: 1 Procs: 1 Jun10-2024 18:14:16 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:14:18 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.49 0.07 1.90 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 18:14:14 Nodes: 1 Procs: 1 Jun10-2024 18:14:16 Nodes: 1 Procs: 1 0 Jun10-2024 18:14:18 Nodes: 1 Procs: 1 Jun10-2024 18:14:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:14:23 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.60 0.06 2.45 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 18:14:14 Nodes: 1 Procs: 1 Jun10-2024 18:14:16 Nodes: 1 Procs: 1 0 Jun10-2024 18:14:18 Nodes: 1 Procs: 1 Jun10-2024 18:14:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 18:14:23 Nodes: 1 Procs: 1 Jun10-2024 18:14:25 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:14:27 Hydrogen (TZP) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.05 1.70 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 18:14:14 Nodes: 1 Procs: 1 Jun10-2024 18:14:16 Nodes: 1 Procs: 1 0 Jun10-2024 18:14:18 Nodes: 1 Procs: 1 Jun10-2024 18:14:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 18:14:23 Nodes: 1 Procs: 1 Jun10-2024 18:14:25 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 18:14:27 Nodes: 1 Procs: 1 Jun10-2024 18:14:29 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:14:31 Hydrogen (TZP) c2-42 c2-42 c2-42 c2-42 c2-42 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.68 0.08 3.05 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 18:14:14 Nodes: 1 Procs: 1 Jun10-2024 18:14:16 Nodes: 1 Procs: 1 0 Jun10-2024 18:14:18 Nodes: 1 Procs: 1 Jun10-2024 18:14:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 18:14:23 Nodes: 1 Procs: 1 Jun10-2024 18:14:25 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 18:14:27 Nodes: 1 Procs: 1 Jun10-2024 18:14:29 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 18:14:31 Nodes: 1 Procs: 1 Jun10-2024 18:14:33 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:14:38 Hydrogen (TZP) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP TZP 2193.7381999999993 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0.3190195E+03 3,-3 14 3 -3 -1.086926 -0.995019 -1.006658 Rho 0.3190628E+03 3,-3 15 3 -3 0.969795 0.923795 -0.996076 Rho 0.3190241E+03 3,-3 16 3 -3 -0.974183 0.962714 0.980813 Rho 0.3190100E+03 3,-3 17 3 -3 -3.018069 -1.139769 1.211137 Rho 0.3189365E+03 3,-3 18 3 -3 3.067781 -1.107440 -1.113835 Rho 0.3188579E+03 3,-3 19 3 -3 -3.010502 1.106343 -1.120307 Rho 0.3188721E+03 3,-3 20 3 -3 3.000743 1.194116 1.215901 Rho 0.3190406E+03 3,-3 21 3 -3 1.363203 -1.248826 -3.085263 Rho 0.3187327E+03 3,-3 22 3 -3 1.140428 1.202022 2.988951 Rho 0.3190459E+03 3,-3 23 3 -3 -1.148325 1.070816 -3.029193 Rho 0.3189435E+03 3,-3 24 3 -3 -1.148167 -1.141782 3.059558 Rho 0.3190392E+03 3,-3 25 3 -3 -1.181501 2.945370 -1.173536 Rho 0.3189632E+03 3,-3 26 3 -3 -1.201285 -2.985953 1.186342 Rho 0.3189934E+03 3,-3 27 3 -3 1.123924 3.055087 1.097742 Rho 0.3190180E+03 3,-3 28 3 -3 1.217466 -3.083233 -1.144532 Rho 0.3191717E+03 3,-3 29 3 -3 3.409357 -1.476869 1.575854 Rho 0.3191350E+03 3,-3 30 3 -3 -3.525515 -1.505819 -1.486575 Rho 0.3189845E+03 3,-3 31 3 -3 3.430532 1.529389 -1.485962 Rho 0.3190486E+03 3,-3 32 3 -3 -3.443419 1.497960 1.548007 Rho 0.3190382E+03 3,-3 33 3 -3 1.451135 -1.483631 3.466193 Rho 0.3191109E+03 3,-3 34 3 -3 1.532105 1.461851 -3.431690 Rho 0.3190339E+03 3,-3 35 3 -3 -1.530612 1.572051 3.426006 Rho 0.3191037E+03 3,-3 36 3 -3 -1.895771 -1.611137 -3.562358 Rho 0.3187351E+03 3,-3 37 3 -3 -1.612775 -3.555263 -1.355166 Rho 0.3187327E+03 3,-3 38 3 -3 -1.536811 3.411971 1.475918 Rho 0.3190407E+03 3,-3 39 3 -3 1.554363 -3.404583 1.566966 Rho 0.3190573E+03 3,-3 40 3 -3 1.521735 3.388329 -1.545118 Rho 0.3191266E+03 3,-3 41 3 -3 -0.226476 -3.795308 3.719531 Rho 0.3195085E+03 3,-3 42 3 -3 3.866175 -0.096191 -3.737372 Rho 0.3193497E+03 3,-3 43 3 -3 -0.216366 3.715080 -3.731212 Rho 0.3195098E+03 3,-3 44 3 -3 0.231869 3.795999 3.704135 Rho 0.3194991E+03 3,-3 45 3 -3 3.778280 -3.724567 -0.205354 Rho 0.3193226E+03 3,-3 46 3 -3 3.761977 3.744797 0.248202 Rho 0.3195057E+03 3,-3 47 3 -3 -3.791735 3.688090 -0.189271 Rho 0.3193599E+03 3,-3 48 3 -3 -3.910327 -3.633014 0.262261 Rho 0.3193585E+03 3,-3 49 3 -3 -3.793249 0.382649 -3.712151 Rho 0.3193551E+03 3,-3 50 3 -3 -3.701663 -0.199887 3.844684 Rho 0.3195040E+03 3,-3 51 3 -3 3.708661 0.170260 3.834155 Rho 0.3195002E+03 3,-3 52 3 -3 -1.586746 -2.353134 -2.985191 Rho 0.4499985E+00 3,-3 53 3 -3 -0.632624 -3.419267 -1.241952 Rho 0.4418890E+00 3,-3 54 3 -3 1.176224 -1.983088 -2.423036 Rho 0.4293855E+00 3,-3 55 3 +1 -0.331197 -1.277449 -2.679227 Rho 0.3647491E-02 |GRAD(Rho)| 0.2021099E-10 GRAD(Rho)x 0.1958222E-10 GRAD(Rho)y 0.3340587E-12 GRAD(Rho)z -0.4990922E-11 Laplacian 0.1437413E-01 (-1/4)Del**2(Rho)) -0.3593533E-02 Diamond 0.1576000E-03 Metallicity 0.4143384E+00 Ellipticity -0.1358098E+01 Gb(Abramov) 0.2643845E-02 Vb(Abramov) -0.1694157E-02 Hb(Abramov) 0.9496880E-03 Ex_ueg -0.4146777E-03 Ec_ueg -0.8918135E-04 Delta_ex -0.5859942E-03 Delta_ec 0.2964619E-03 Delta_et -0.1528674E-02 Pxc 0.4649825E+01 Qxc -0.1976626E+01 3,+1 56 3 -1 -3.345579 -3.100028 0.089074 Rho 0.2467606E+00 |GRAD(Rho)| 0.3409541E-13 GRAD(Rho)x 0.2461811E-13 GRAD(Rho)y 0.2240233E-13 GRAD(Rho)z -0.7387916E-14 Laplacian 0.9145656E+00 (-1/4)Del**2(Rho)) -0.2286414E+00 Diamond 0.3322170E+01 Metallicity 0.7314612E+01 Ellipticity 0.8516444E-03 Gb(Abramov) 0.4311648E+00 Vb(Abramov) -0.6336881E+00 Hb(Abramov) -0.2025234E+00 Ex_ueg -0.1143105E+00 Ec_ueg -0.1490770E-01 Delta_ex -0.1111892E+00 Delta_ec 0.1983172E-01 Delta_et -0.2739972E+00 Pxc 0.7667881E+01 Qxc -0.5606636E+01 3,-1 57 3 +1 -2.919583 0.177154 0.241584 Rho 0.5629557E-02 |GRAD(Rho)| 0.7453235E-17 GRAD(Rho)x -0.1468098E-17 GRAD(Rho)y -0.6098686E-17 GRAD(Rho)z 0.4025100E-17 Laplacian 0.2350427E-01 (-1/4)Del**2(Rho)) -0.5876067E-02 Diamond 0.5758009E-03 Metallicity 0.5223041E+00 Ellipticity -0.2106216E+01 Gb(Abramov) 0.4428894E-02 Vb(Abramov) -0.2981720E-02 Hb(Abramov) 0.1447173E-02 Ex_ueg -0.7396348E-03 Ec_ueg -0.1741050E-03 Delta_ex -0.1142711E-02 Delta_ec 0.6451676E-03 Delta_et -0.3668501E-02 Pxc 0.4248211E+01 Qxc -0.1771185E+01 3,+1 58 3 +1 -2.174976 1.046714 1.426366 Rho 0.2673506E-01 |GRAD(Rho)| 0.1112349E-15 GRAD(Rho)x 0.2491974E-16 GRAD(Rho)y -0.6855493E-16 GRAD(Rho)z 0.8397881E-16 Laplacian 0.1047050E+00 (-1/4)Del**2(Rho)) -0.2617626E-01 Diamond 0.1388422E-01 Metallicity 0.1573189E+01 Ellipticity -0.2813823E+01 Gb(Abramov) 0.2431420E-01 Vb(Abramov) -0.2245215E-01 Hb(Abramov) 0.1862051E-02 Ex_ueg -0.5904185E-02 Ec_ueg -0.1176463E-02 Delta_ex -0.6517323E-02 Delta_ec 0.1575403E-02 Delta_et -0.1417203E-01 Pxc 0.5018592E+01 Qxc -0.4136924E+01 3,+1 59 3 -1 -3.114239 -1.945512 -0.848795 Rho 0.1675850E+00 |GRAD(Rho)| 0.1000767E-13 GRAD(Rho)x 0.2628499E-14 GRAD(Rho)y -0.6765313E-14 GRAD(Rho)z 0.6890213E-14 Laplacian 0.6569708E+00 (-1/4)Del**2(Rho)) -0.1642427E+00 Diamond 0.1518933E+01 Metallicity 0.5343090E+01 Ellipticity 0.7740845E-01 Gb(Abramov) 0.2557557E+00 Vb(Abramov) -0.3472688E+00 Hb(Abramov) -0.9151303E-01 Ex_ueg -0.6823891E-01 Ec_ueg -0.9578555E-02 Delta_ex -0.7249864E-01 Delta_ec 0.1617768E-01 Delta_et -0.2183817E+00 Pxc 0.7124134E+01 Qxc -0.4481399E+01 3,-1 60 3 +1 -2.282234 -1.104546 -1.351174 Rho 0.2975871E-01 |GRAD(Rho)| 0.2752679E-14 GRAD(Rho)x -0.2013529E-14 GRAD(Rho)y -0.3215239E-15 GRAD(Rho)z 0.1849207E-14 Laplacian 0.1195121E+00 (-1/4)Del**2(Rho)) -0.2987801E-01 Diamond 0.1945557E-01 Metallicity 0.1647751E+01 Ellipticity -0.3786826E+01 Gb(Abramov) 0.2812393E-01 Vb(Abramov) -0.2636984E-01 Hb(Abramov) 0.1754085E-02 Ex_ueg -0.6810889E-02 Ec_ueg -0.1331168E-02 Delta_ex -0.7753325E-02 Delta_ec 0.1964120E-02 Delta_et -0.1808722E-01 Pxc 0.5116477E+01 Qxc -0.3947481E+01 3,+1 61 3 +1 -1.704330 -0.521160 0.570569 Rho 0.9154196E-02 |GRAD(Rho)| 0.4048922E-12 GRAD(Rho)x -0.3207221E-12 GRAD(Rho)y -0.2444216E-12 GRAD(Rho)z 0.3651223E-13 Laplacian 0.3510180E-01 (-1/4)Del**2(Rho)) -0.8775450E-02 Diamond 0.1029381E-02 Metallicity 0.7864132E+00 Ellipticity -0.1501452E+01 Gb(Abramov) 0.7000488E-02 Vb(Abramov) -0.5225527E-02 Hb(Abramov) 0.1774962E-02 Ex_ueg -0.1414312E-02 Ec_ueg -0.3298441E-03 Delta_ex -0.1631916E-02 Delta_ec 0.4987661E-03 Delta_et -0.3460268E-02 Pxc 0.4287821E+01 Qxc -0.3271907E+01 3,+1 62 3 +1 -1.135013 1.334031 2.181071 Rho 0.2659366E-01 |GRAD(Rho)| 0.1323976E-15 GRAD(Rho)x -0.3844456E-16 GRAD(Rho)y -0.7691818E-16 GRAD(Rho)z -0.1006714E-15 Laplacian 0.1070733E+00 (-1/4)Del**2(Rho)) -0.2676832E-01 Diamond 0.1653811E-01 Metallicity 0.1524856E+01 Ellipticity -0.6939709E+01 Gb(Abramov) 0.2464852E-01 Vb(Abramov) -0.2252872E-01 Hb(Abramov) 0.2119802E-02 Ex_ueg -0.5862585E-02 Ec_ueg -0.1169282E-02 Delta_ex -0.6899481E-02 Delta_ec 0.2047359E-02 Delta_et -0.1830323E-01 Pxc 0.5013832E+01 Qxc -0.3369942E+01 3,+1 63 3 -1 -3.240958 3.137484 -0.025511 Rho 0.2466469E+00 |GRAD(Rho)| 0.4465451E-14 GRAD(Rho)x 0.3814874E-14 GRAD(Rho)y -0.1370432E-15 GRAD(Rho)z -0.2316940E-14 Laplacian 0.9086540E+00 (-1/4)Del**2(Rho)) -0.2271635E+00 Diamond 0.3303916E+01 Metallicity 0.7356546E+01 Ellipticity 0.2443483E-02 Gb(Abramov) 0.4299655E+00 Vb(Abramov) -0.6327675E+00 Hb(Abramov) -0.2028020E+00 Ex_ueg -0.1142403E+00 Ec_ueg -0.1489980E-01 Delta_ex -0.1104831E+00 Delta_ec 0.1975255E-01 Delta_et -0.2731145E+00 Pxc 0.7667234E+01 Qxc -0.5593357E+01 3,-1 64 3 +1 -2.186401 -2.202290 -2.060976 Rho 0.1065675E-01 |GRAD(Rho)| 0.3620492E-16 GRAD(Rho)x 0.2609346E-16 GRAD(Rho)y -0.2438871E-16 GRAD(Rho)z 0.5926115E-17 Laplacian 0.4672485E-01 (-1/4)Del**2(Rho)) -0.1168121E-01 Diamond 0.1450586E-02 Metallicity 0.7610962E+00 Ellipticity -0.1264757E+01 Gb(Abramov) 0.9269230E-02 Vb(Abramov) -0.6857247E-02 Hb(Abramov) 0.2411983E-02 Ex_ueg -0.1732013E-02 Ec_ueg -0.3979203E-03 Delta_ex -0.2178647E-02 Delta_ec 0.5214896E-03 Delta_et -0.3866961E-02 Pxc 0.4352664E+01 Qxc -0.4177739E+01 3,+1 65 3 -1 -2.841804 -1.759503 0.595889 Rho 0.1515671E+00 |GRAD(Rho)| 0.4115120E-15 GRAD(Rho)x -0.3065582E-16 GRAD(Rho)y 0.2035590E-15 GRAD(Rho)z 0.3563230E-15 Laplacian 0.6336201E+00 (-1/4)Del**2(Rho)) -0.1584050E+00 Diamond 0.1298150E+01 Metallicity 0.4685896E+01 Ellipticity 0.1641454E-01 Gb(Abramov) 0.2293149E+00 Vb(Abramov) -0.3002248E+00 Hb(Abramov) -0.7090991E-01 Ex_ueg -0.5968408E-01 Ec_ueg -0.8543909E-02 Delta_ex -0.6819926E-01 Delta_ec 0.1599962E-01 Delta_et -0.2132101E+00 Pxc 0.6985570E+01 Qxc -0.4262555E+01 3,-1 66 3 +1 -2.911877 -0.150167 -0.093639 Rho 0.5739464E-02 |GRAD(Rho)| 0.3182847E-17 GRAD(Rho)x -0.1443780E-18 GRAD(Rho)y 0.3137765E-17 GRAD(Rho)z 0.5139073E-18 Laplacian 0.2347918E-01 (-1/4)Del**2(Rho)) -0.5869794E-02 Diamond 0.6588330E-03 Metallicity 0.5399861E+00 Ellipticity -0.5448871E+01 Gb(Abramov) 0.4441464E-02 Vb(Abramov) -0.3013134E-02 Hb(Abramov) 0.1428330E-02 Ex_ueg -0.7589506E-03 Ec_ueg -0.1788725E-03 Delta_ex -0.1198943E-02 Delta_ec 0.7389265E-03 Delta_et -0.4182623E-02 Pxc 0.4242971E+01 Qxc -0.1622546E+01 3,+1 67 3 +1 -1.690962 0.540884 -0.492076 Rho 0.9927253E-02 |GRAD(Rho)| 0.1562342E-12 GRAD(Rho)x 0.1282813E-12 GRAD(Rho)y -0.6973651E-13 GRAD(Rho)z 0.5558627E-13 Laplacian 0.3857179E-01 (-1/4)Del**2(Rho)) -0.9642948E-02 Diamond 0.1233225E-02 Metallicity 0.8192036E+00 Ellipticity -0.1491753E+01 Gb(Abramov) 0.7745222E-02 Vb(Abramov) -0.5847495E-02 Hb(Abramov) 0.1897727E-02 Ex_ueg -0.1575762E-02 Ec_ueg -0.3647497E-03 Delta_ex -0.1819453E-02 Delta_ec 0.5279756E-03 Delta_et -0.3755109E-02 Pxc 0.4320118E+01 Qxc -0.3446093E+01 3,+1 68 3 -1 -2.917278 -0.081507 -0.022939 Rho 0.5742563E-02 |GRAD(Rho)| 0.3349839E-17 GRAD(Rho)x -0.8954409E-18 GRAD(Rho)y 0.2763619E-17 GRAD(Rho)z -0.1667938E-17 Laplacian 0.2320875E-01 (-1/4)Del**2(Rho)) -0.5802187E-02 Diamond 0.7152084E-03 Metallicity 0.5467697E+00 Ellipticity 0.5100470E+01 Gb(Abramov) 0.4396868E-02 Vb(Abramov) -0.2991549E-02 Hb(Abramov) 0.1405319E-02 Ex_ueg -0.7594971E-03 Ec_ueg -0.1790070E-03 Delta_ex -0.1234276E-02 Delta_ec 0.8179296E-03 Delta_et -0.4595789E-02 Pxc 0.4242835E+01 Qxc -0.1509024E+01 3,-1 69 3 -1 0.508070 -1.791875 1.681472 Rho 0.4487630E-01 |GRAD(Rho)| 0.4821716E-12 GRAD(Rho)x -0.1175726E-12 GRAD(Rho)y 0.4554325E-12 GRAD(Rho)z -0.1060536E-12 Laplacian 0.1861251E+00 (-1/4)Del**2(Rho)) -0.4653127E-01 Diamond 0.8301772E-01 Metallicity 0.2098151E+01 Ellipticity 0.2111639E-01 Gb(Abramov) 0.4729245E-01 Vb(Abramov) -0.4805363E-01 Hb(Abramov) -0.7611798E-03 Ex_ueg -0.1177808E-01 Ec_ueg -0.2133676E-02 Delta_ex -0.1498838E-01 Delta_ec 0.5689058E-02 Delta_et -0.5833384E-01 Pxc 0.5520088E+01 Qxc -0.2634598E+01 3,-1 70 3 +1 1.674693 -0.542378 -0.537702 Rho 0.8824993E-02 |GRAD(Rho)| 0.1809123E-12 GRAD(Rho)x -0.1199930E-12 GRAD(Rho)y 0.1336183E-12 GRAD(Rho)z 0.2184219E-13 Laplacian 0.3481714E-01 (-1/4)Del**2(Rho)) -0.8704284E-02 Diamond 0.9304423E-03 Metallicity 0.7458946E+00 Ellipticity -0.1403906E+01 Gb(Abramov) 0.6884936E-02 Vb(Abramov) -0.5065587E-02 Hb(Abramov) 0.1819348E-02 Ex_ueg -0.1346907E-02 Ec_ueg -0.3150581E-03 Delta_ex -0.1585924E-02 Delta_ec 0.4629679E-03 Delta_et -0.3207161E-02 Pxc 0.4275106E+01 Qxc -0.3425559E+01 3,+1 71 3 +3 -2.363151 0.022006 0.086630 Rho 0.5027077E-02 |GRAD(Rho)| 0.1208311E-13 GRAD(Rho)x 0.8973245E-14 GRAD(Rho)y 0.6232393E-14 GRAD(Rho)z 0.5161369E-14 Laplacian 0.2073363E-01 (-1/4)Del**2(Rho)) -0.5183407E-02 Diamond 0.2111795E-03 Metallicity 0.4903022E+00 Ellipticity -0.3704522E+00 Gb(Abramov) 0.3879177E-02 Vb(Abramov) -0.2574947E-02 Hb(Abramov) 0.1304230E-02 Ex_ueg -0.6360225E-03 Ec_ueg -0.1480782E-03 Delta_ex -0.7776209E-03 Delta_ec 0.1988393E-03 Delta_et -0.1265079E-02 Pxc 0.4295179E+01 Qxc -0.3910801E+01 3,+3 72 3 -1 -2.798660 1.748778 -0.519118 Rho 0.1414057E+00 |GRAD(Rho)| 0.1878078E-15 GRAD(Rho)x 0.1107513E-15 GRAD(Rho)y 0.1293318E-15 GRAD(Rho)z 0.7924163E-16 Laplacian 0.5991091E+00 (-1/4)Del**2(Rho)) -0.1497773E+00 Diamond 0.1130004E+01 Metallicity 0.4414541E+01 Ellipticity 0.1337442E-01 Gb(Abramov) 0.2100512E+00 Vb(Abramov) -0.2703250E+00 Hb(Abramov) -0.6027388E-01 Ex_ueg -0.5440945E-01 Ec_ueg -0.7895646E-02 Delta_ex -0.6340483E-01 Delta_ec 0.1540359E-01 Delta_et -0.2032744E+00 Pxc 0.6891070E+01 Qxc -0.4116237E+01 3,-1 73 3 -1 -3.029730 1.949007 0.902905 Rho 0.1590699E+00 |GRAD(Rho)| 0.4108951E-13 GRAD(Rho)x 0.1502014E-13 GRAD(Rho)y 0.2378230E-13 GRAD(Rho)z -0.2995239E-13 Laplacian 0.6208398E+00 (-1/4)Del**2(Rho)) -0.1552099E+00 Diamond 0.1356079E+01 Metallicity 0.5183385E+01 Ellipticity 0.5199040E-01 Gb(Abramov) 0.2375588E+00 Vb(Abramov) -0.3199076E+00 Hb(Abramov) -0.8234884E-01 Ex_ueg -0.6365545E-01 Ec_ueg -0.9026621E-02 Delta_ex -0.6770087E-01 Delta_ec 0.1562133E-01 Delta_et -0.2098419E+00 Pxc 0.7051969E+01 Qxc -0.4333874E+01 3,-1 74 3 +1 0.066382 -2.947167 0.084498 Rho 0.4867648E-02 |GRAD(Rho)| 0.1349205E-13 GRAD(Rho)x 0.8946094E-14 GRAD(Rho)y -0.3526159E-14 GRAD(Rho)z 0.9464097E-14 Laplacian 0.1921922E-01 (-1/4)Del**2(Rho)) -0.4804805E-02 Diamond 0.4328880E-03 Metallicity 0.5012749E+00 Ellipticity -0.3461456E+01 Gb(Abramov) 0.3604625E-02 Vb(Abramov) -0.2404444E-02 Hb(Abramov) 0.1200180E-02 Ex_ueg -0.6092711E-03 Ec_ueg -0.1412216E-03 Delta_ex -0.9511845E-03 Delta_ec 0.6061750E-03 Delta_et -0.3265220E-02 Pxc 0.4314291E+01 Qxc -0.1569158E+01 3,+1 75 3 -1 -2.088779 -3.031456 -0.758489 Rho 0.1390517E+00 |GRAD(Rho)| 0.3359057E-15 GRAD(Rho)x 0.1079323E-15 GRAD(Rho)y -0.1705992E-15 GRAD(Rho)z -0.2684756E-15 Laplacian 0.5109512E+00 (-1/4)Del**2(Rho)) -0.1277378E+00 Diamond 0.9689688E+00 Metallicity 0.5033393E+01 Ellipticity 0.1071245E+00 Gb(Abramov) 0.1923176E+00 Vb(Abramov) -0.2568974E+00 Hb(Abramov) -0.6457982E-01 Ex_ueg -0.5320511E-01 Ec_ueg -0.7746391E-02 Delta_ex -0.5412399E-01 Delta_ec 0.1367261E-01 Delta_et -0.1809724E+00 Pxc 0.6868375E+01 Qxc -0.3958571E+01 3,-1 76 3 +3 -1.128100 -1.103820 1.167827 Rho 0.5197721E-02 |GRAD(Rho)| 0.4635832E-17 GRAD(Rho)x 0.9852201E-18 GRAD(Rho)y 0.4529896E-17 GRAD(Rho)z -0.1798456E-19 Laplacian 0.2016936E-01 (-1/4)Del**2(Rho)) -0.5042340E-02 Diamond 0.1476634E-03 Metallicity 0.5328554E+00 Ellipticity -0.1154237E+00 Gb(Abramov) 0.3809366E-02 Vb(Abramov) -0.2576393E-02 Hb(Abramov) 0.1232974E-02 Ex_ueg -0.6649705E-03 Ec_ueg -0.1554315E-03 Delta_ex -0.7036197E-03 Delta_ec 0.8747140E-04 Delta_et -0.7010309E-03 Pxc 0.4278224E+01 Qxc -0.8043998E+01 3,+3 77 3 -1 -1.894632 -2.728199 0.572164 Rho 0.1101469E+00 |GRAD(Rho)| 0.4042822E-15 GRAD(Rho)x -0.2823195E-15 GRAD(Rho)y 0.1347663E-15 GRAD(Rho)z -0.2560818E-15 Laplacian 0.4584465E+00 (-1/4)Del**2(Rho)) -0.1146116E+00 Diamond 0.6458488E+00 Metallicity 0.3804331E+01 Ellipticity 0.2492276E-01 Gb(Abramov) 0.1490779E+00 Vb(Abramov) -0.1835441E+00 Hb(Abramov) -0.3446622E-01 Ex_ueg -0.3899553E-01 Ec_ueg -0.5943711E-02 Delta_ex -0.4577891E-01 Delta_ec 0.1265052E-01 Delta_et -0.1602959E+00 Pxc 0.6560804E+01 Qxc -0.3618739E+01 3,-1 78 3 -1 -1.843317 -1.693107 -0.544452 Rho 0.5242724E-01 |GRAD(Rho)| 0.1030384E-13 GRAD(Rho)x -0.5348452E-14 GRAD(Rho)y -0.8806451E-14 GRAD(Rho)z -0.9764024E-16 Laplacian 0.2104334E+00 (-1/4)Del**2(Rho)) -0.5260834E-01 Diamond 0.1127238E+00 Metallicity 0.2404881E+01 Ellipticity 0.1530206E-01 Gb(Abramov) 0.5615836E-01 Vb(Abramov) -0.5970837E-01 Hb(Abramov) -0.3550016E-02 Ex_ueg -0.1449198E-01 Ec_ueg -0.2549475E-02 Delta_ex -0.1748709E-01 Delta_ec 0.6191894E-02 Delta_et -0.6607756E-01 Pxc 0.5684298E+01 Qxc -0.2824191E+01 3,-1 79 3 +1 -1.757934 -1.729292 1.803459 Rho 0.1206449E-01 |GRAD(Rho)| 0.1343993E-13 GRAD(Rho)x -0.8417561E-14 GRAD(Rho)y 0.1021357E-13 GRAD(Rho)z 0.2336530E-14 Laplacian 0.6031734E-01 (-1/4)Del**2(Rho)) -0.1507933E-01 Diamond 0.2425186E-02 Metallicity 0.7250249E+00 Ellipticity -0.1247295E+01 Gb(Abramov) 0.1187504E-01 Vb(Abramov) -0.8670742E-02 Hb(Abramov) 0.3204296E-02 Ex_ueg -0.2043606E-02 Ec_ueg -0.4625471E-03 Delta_ex -0.2966312E-02 Delta_ec 0.7780144E-03 Delta_et -0.5845221E-02 Pxc 0.4418158E+01 Qxc -0.3812670E+01 3,+1 80 3 -1 -1.746154 1.688263 0.560680 Rho 0.5027292E-01 |GRAD(Rho)| 0.6371275E-16 GRAD(Rho)x -0.4652117E-16 GRAD(Rho)y 0.2976008E-16 GRAD(Rho)z -0.3177157E-16 Laplacian 0.2026794E+00 (-1/4)Del**2(Rho)) -0.5066985E-01 Diamond 0.1022765E+00 Metallicity 0.2328237E+01 Ellipticity 0.1451603E-01 Gb(Abramov) 0.5344180E-01 Vb(Abramov) -0.5621375E-01 Hb(Abramov) -0.2771949E-02 Ex_ueg -0.1370347E-01 Ec_ueg -0.2429966E-02 Delta_ex -0.1665328E-01 Delta_ec 0.5944801E-02 Delta_et -0.6274868E-01 Pxc 0.5639368E+01 Qxc -0.2801319E+01 3,-1 81 3 -1 -1.840444 2.715478 -0.542177 Rho 0.1205628E+00 |GRAD(Rho)| 0.2150342E-15 GRAD(Rho)x -0.2064185E-15 GRAD(Rho)y 0.1140106E-16 GRAD(Rho)z -0.5917033E-16 Laplacian 0.5054824E+00 (-1/4)Del**2(Rho)) -0.1263706E+00 Diamond 0.7922203E+00 Metallicity 0.4011094E+01 Ellipticity 0.1216322E-01 Gb(Abramov) 0.1687278E+00 Vb(Abramov) -0.2110850E+00 Hb(Abramov) -0.4235720E-01 Ex_ueg -0.4398822E-01 Ec_ueg -0.6586702E-02 Delta_ex -0.5154425E-01 Delta_ec 0.1362224E-01 Delta_et -0.1754030E+00 Pxc 0.6678336E+01 Qxc -0.3783831E+01 3,-1 82 3 +1 -0.218251 2.912115 0.161562 Rho 0.5477480E-02 |GRAD(Rho)| 0.1544886E-16 GRAD(Rho)x -0.1143082E-16 GRAD(Rho)y 0.5230404E-18 GRAD(Rho)z -0.1037931E-16 Laplacian 0.2282146E-01 (-1/4)Del**2(Rho)) -0.5705364E-02 Diamond 0.5525042E-03 Metallicity 0.5139306E+00 Ellipticity -0.2202698E+01 Gb(Abramov) 0.4292270E-02 Vb(Abramov) -0.2879175E-02 Hb(Abramov) 0.1413095E-02 Ex_ueg -0.7131149E-03 Ec_ueg -0.1675182E-03 Delta_ex -0.1114541E-02 Delta_ec 0.6464964E-03 Delta_et -0.3637263E-02 Pxc 0.4256938E+01 Qxc -0.1723971E+01 3,+1 83 3 -1 -2.017359 2.964197 0.862499 Rho 0.1522522E+00 |GRAD(Rho)| 0.3146951E-13 GRAD(Rho)x -0.1979234E-13 GRAD(Rho)y -0.1244659E-13 GRAD(Rho)z -0.2106361E-13 Laplacian 0.5984169E+00 (-1/4)Del**2(Rho)) -0.1496042E+00 Diamond 0.1239089E+01 Metallicity 0.4998988E+01 Ellipticity 0.4687496E-01 Gb(Abramov) 0.2243811E+00 Vb(Abramov) -0.2991580E+00 Hb(Abramov) -0.7477689E-01 Ex_ueg -0.6004405E-01 Ec_ueg -0.8587846E-02 Delta_ex -0.6454432E-01 Delta_ec 0.1520535E-01 Delta_et -0.2030141E+00 Pxc 0.6991748E+01 Qxc -0.4244844E+01 3,-1 84 3 +1 -0.549363 0.519377 -1.673841 Rho 0.9226219E-02 |GRAD(Rho)| 0.1111508E-13 GRAD(Rho)x 0.3416384E-14 GRAD(Rho)y -0.6865335E-14 GRAD(Rho)z 0.8046141E-14 Laplacian 0.3581278E-01 (-1/4)Del**2(Rho)) -0.8953194E-02 Diamond 0.1082344E-02 Metallicity 0.7809348E+00 Ellipticity -0.1514449E+01 Gb(Abramov) 0.7134106E-02 Vb(Abramov) -0.5315018E-02 Hb(Abramov) 0.1819088E-02 Ex_ueg -0.1429168E-02 Ec_ueg -0.3330852E-03 Delta_ex -0.1676835E-02 Delta_ec 0.5241239E-03 Delta_et -0.3631517E-02 Pxc 0.4290699E+01 Qxc -0.3199311E+01 3,+1 85 3 -1 -0.511790 1.732293 1.723112 Rho 0.4308321E-01 |GRAD(Rho)| 0.6293995E-16 GRAD(Rho)x 0.3761567E-17 GRAD(Rho)y 0.6097600E-16 GRAD(Rho)z 0.1513987E-16 Laplacian 0.1787042E+00 (-1/4)Del**2(Rho)) -0.4467605E-01 Diamond 0.7565766E-01 Metallicity 0.2041700E+01 Ellipticity 0.1540246E-01 Gb(Abramov) 0.4498655E-01 Vb(Abramov) -0.4529704E-01 Hb(Abramov) -0.3104950E-03 Ex_ueg -0.1115482E-01 Ec_ueg -0.2036267E-02 Delta_ex -0.1425890E-01 Delta_ec 0.5486929E-02 Delta_et -0.5565390E-01 Pxc 0.5478074E+01 Qxc -0.2598703E+01 3,-1 86 3 -1 -1.801945 0.537744 -2.806912 Rho 0.1664188E+00 |GRAD(Rho)| 0.1185065E-11 GRAD(Rho)x -0.8036224E-12 GRAD(Rho)y -0.7896393E-12 GRAD(Rho)z 0.3674772E-12 Laplacian 0.6883532E+00 (-1/4)Del**2(Rho)) -0.1720883E+00 Diamond 0.1570606E+01 Metallicity 0.5040487E+01 Ellipticity 0.2023109E-01 Gb(Abramov) 0.2592937E+00 Vb(Abramov) -0.3464991E+00 Hb(Abramov) -0.8720538E-01 Ex_ueg -0.6760647E-01 Ec_ueg -0.9502709E-02 Delta_ex -0.7576376E-01 Delta_ec 0.1686335E-01 Delta_et -0.2271328E+00 Pxc 0.7114442E+01 Qxc -0.4492807E+01 3,-1 87 3 +3 -1.121626 1.101829 -1.140372 Rho 0.5508848E-02 |GRAD(Rho)| 0.2077035E-15 GRAD(Rho)x -0.1055897E-15 GRAD(Rho)y 0.1204171E-15 GRAD(Rho)z -0.1322546E-15 Laplacian 0.2148382E-01 (-1/4)Del**2(Rho)) -0.5370956E-02 Diamond 0.1670824E-03 Metallicity 0.5511498E+00 Ellipticity -0.1526373E+00 Gb(Abramov) 0.4074004E-02 Vb(Abramov) -0.2777052E-02 Hb(Abramov) 0.1296952E-02 Ex_ueg -0.7185652E-03 Ec_ueg -0.1688759E-03 Delta_ex -0.7590759E-03 Delta_ec 0.8841632E-04 Delta_et -0.7292789E-03 Pxc 0.4254989E+01 Qxc -0.8585246E+01 3,+3 88 3 -1 -1.707277 0.522022 1.779307 Rho 0.4248782E-01 |GRAD(Rho)| 0.1301159E-15 GRAD(Rho)x -0.2990323E-16 GRAD(Rho)y -0.2263791E-16 GRAD(Rho)z 0.1245933E-15 Laplacian 0.1754186E+00 (-1/4)Del**2(Rho)) -0.4385465E-01 Diamond 0.7257854E-01 Metallicity 0.2032255E+01 Ellipticity 0.1135804E-01 Gb(Abramov) 0.4409041E-01 Vb(Abramov) -0.4432617E-01 Hb(Abramov) -0.2357588E-03 Ex_ueg -0.1094975E-01 Ec_ueg -0.2004042E-02 Delta_ex -0.1393274E-01 Delta_ec 0.5358173E-02 Delta_et -0.5414046E-01 Pxc 0.5463833E+01 Qxc -0.2600279E+01 3,-1 89 3 +3 0.052013 -0.044838 2.318508 Rho 0.4360291E-02 |GRAD(Rho)| 0.7494669E-17 GRAD(Rho)x 0.6326619E-17 GRAD(Rho)y 0.3980268E-17 GRAD(Rho)z -0.5490244E-18 Laplacian 0.1769547E-01 (-1/4)Del**2(Rho)) -0.4423867E-02 Diamond 0.1440833E-03 Metallicity 0.4531864E+00 Ellipticity -0.3800812E+00 Gb(Abramov) 0.3283384E-02 Vb(Abramov) -0.2142901E-02 Hb(Abramov) 0.1140483E-02 Ex_ueg -0.5261049E-03 Ec_ueg -0.1194882E-03 Delta_ex -0.6350498E-03 Delta_ec 0.1607573E-03 Delta_et -0.1000172E-02 Pxc 0.4402985E+01 Qxc -0.3950365E+01 3,+3 90 3 -1 -1.976362 0.878805 3.038782 Rho 0.1409390E+00 |GRAD(Rho)| 0.2639403E-15 GRAD(Rho)x 0.3272935E-16 GRAD(Rho)y -0.2617942E-15 GRAD(Rho)z 0.7555534E-17 Laplacian 0.5498486E+00 (-1/4)Del**2(Rho)) -0.1374621E+00 Diamond 0.1026696E+01 Metallicity 0.4783603E+01 Ellipticity 0.5924035E-01 Gb(Abramov) 0.2012355E+00 Vb(Abramov) -0.2650088E+00 Hb(Abramov) -0.6377334E-01 Ex_ueg -0.5417012E-01 Ec_ueg -0.7866023E-02 Delta_ex -0.5807657E-01 Delta_ec 0.1402703E-01 Delta_et -0.1847614E+00 Pxc 0.6886595E+01 Qxc -0.4140331E+01 3,-1 91 3 +1 -1.747798 1.685017 -1.763723 Rho 0.1200498E-01 |GRAD(Rho)| 0.5131331E-17 GRAD(Rho)x -0.5059471E-17 GRAD(Rho)y 0.5093132E-18 GRAD(Rho)z 0.6876872E-18 Laplacian 0.5956701E-01 (-1/4)Del**2(Rho)) -0.1489175E-01 Diamond 0.2375219E-02 Metallicity 0.7281314E+00 Ellipticity -0.1260802E+01 Gb(Abramov) 0.1173503E-01 Vb(Abramov) -0.8578302E-02 Hb(Abramov) 0.3156726E-02 Ex_ueg -0.2030176E-02 Ec_ueg -0.4597989E-03 Delta_ex -0.2924547E-02 Delta_ec 0.7664761E-03 Delta_et -0.5753027E-02 Pxc 0.4415356E+01 Qxc -0.3815575E+01 3,+1 92 3 -1 -1.633045 -2.745036 -2.382545 Rho 0.2215648E-01 |GRAD(Rho)| 0.7093835E-16 GRAD(Rho)x -0.1616417E-17 GRAD(Rho)y -0.4258819E-16 GRAD(Rho)z 0.5670875E-16 Laplacian 0.7141789E-01 (-1/4)Del**2(Rho)) -0.1785447E-01 Diamond 0.1754202E-01 Metallicity 0.1686453E+01 Ellipticity 0.4291569E-01 Gb(Abramov) 0.1692144E-01 Vb(Abramov) -0.1598840E-01 Hb(Abramov) 0.9330365E-03 Ex_ueg -0.4596065E-02 Ec_ueg -0.9466416E-03 Delta_ex -0.5530100E-02 Delta_ec 0.3405647E-02 Delta_et -0.2849550E-01 Pxc 0.4855127E+01 Qxc -0.1623803E+01 3,-1 93 3 +3 -1.887526 -2.004283 -1.931985 Rho 0.1008755E-01 |GRAD(Rho)| 0.8456102E-15 GRAD(Rho)x -0.4936239E-15 GRAD(Rho)y 0.4578143E-15 GRAD(Rho)z 0.5116621E-15 Laplacian 0.4510685E-01 (-1/4)Del**2(Rho)) -0.1127671E-01 Diamond 0.8655869E-03 Metallicity 0.7194711E+00 Ellipticity -0.6607515E+00 Gb(Abramov) 0.8870021E-02 Vb(Abramov) -0.6463328E-02 Hb(Abramov) 0.2406693E-02 Ex_ueg -0.1609778E-02 Ec_ueg -0.3720194E-03 Delta_ex -0.1914879E-02 Delta_ec 0.2217122E-03 Delta_et -0.1895737E-02 Pxc 0.4327134E+01 Qxc -0.8636781E+01 3,+3 94 3 +3 -0.099513 -2.383740 -0.127703 Rho 0.4138782E-02 |GRAD(Rho)| 0.6035337E-15 GRAD(Rho)x -0.3412494E-15 GRAD(Rho)y -0.3534672E-15 GRAD(Rho)z -0.3505178E-15 Laplacian 0.1664675E-01 (-1/4)Del**2(Rho)) -0.4161686E-02 Diamond 0.1230895E-03 Metallicity 0.4416431E+00 Ellipticity -0.3491279E+00 Gb(Abramov) 0.3080788E-02 Vb(Abramov) -0.1999889E-02 Hb(Abramov) 0.1080899E-02 Ex_ueg -0.4907743E-03 Ec_ueg -0.1100415E-03 Delta_ex -0.5857184E-03 Delta_ec 0.1444006E-03 Delta_et -0.8969379E-03 Pxc 0.4459904E+01 Qxc -0.4056206E+01 3,+3 95 3 +1 -1.555177 -2.043736 -1.960209 Rho 0.1043646E-01 |GRAD(Rho)| 0.9921534E-14 GRAD(Rho)x -0.3886505E-14 GRAD(Rho)y -0.8464348E-14 GRAD(Rho)z 0.3418585E-14 Laplacian 0.4586732E-01 (-1/4)Del**2(Rho)) -0.1146683E-01 Diamond 0.1374770E-02 Metallicity 0.7487983E+00 Ellipticity -0.1242455E+01 Gb(Abramov) 0.9075610E-02 Vb(Abramov) -0.6684391E-02 Hb(Abramov) 0.2391220E-02 Ex_ueg -0.1684441E-02 Ec_ueg -0.3878801E-03 Delta_ex -0.2123659E-02 Delta_ec 0.5063494E-03 Delta_et -0.3741605E-02 Pxc 0.4342684E+01 Qxc -0.4194058E+01 3,+1 96 3 +1 -0.534746 -0.567078 1.679126 Rho 0.8235904E-02 |GRAD(Rho)| 0.3407449E-12 GRAD(Rho)x 0.2310024E-12 GRAD(Rho)y 0.2186318E-12 GRAD(Rho)z 0.1222503E-12 Laplacian 0.3189054E-01 (-1/4)Del**2(Rho)) -0.7972635E-02 Diamond 0.8095194E-03 Metallicity 0.7257774E+00 Ellipticity -0.1441926E+01 Gb(Abramov) 0.6279483E-02 Vb(Abramov) -0.4586331E-02 Hb(Abramov) 0.1693152E-02 Ex_ueg -0.1228382E-02 Ec_ueg -0.2887190E-03 Delta_ex -0.1443403E-02 Delta_ec 0.4529566E-03 Delta_et -0.3058185E-02 Pxc 0.4254593E+01 Qxc -0.3186626E+01 3,+1 97 3 +1 1.435133 2.127747 -1.031968 Rho 0.2542677E-01 |GRAD(Rho)| 0.1410446E-16 GRAD(Rho)x 0.2617090E-17 GRAD(Rho)y -0.1186890E-16 GRAD(Rho)z -0.7156529E-17 Laplacian 0.9919246E-01 (-1/4)Del**2(Rho)) -0.2479811E-01 Diamond 0.1214456E-01 Metallicity 0.1527401E+01 Ellipticity -0.2617281E+01 Gb(Abramov) 0.2284486E-01 Vb(Abramov) -0.2089160E-01 Hb(Abramov) 0.1953259E-02 Ex_ueg -0.5522130E-02 Ec_ueg -0.1110225E-02 Delta_ex -0.6076731E-02 Delta_ec 0.1468127E-02 Delta_et -0.1306042E-01 Pxc 0.4973882E+01 Qxc -0.4139103E+01 3,+1 98 3 +1 -0.617890 -1.666813 0.516942 Rho 0.8982439E-02 |GRAD(Rho)| 0.8855917E-17 GRAD(Rho)x 0.7470533E-17 GRAD(Rho)y -0.2751348E-17 GRAD(Rho)z -0.3879239E-17 Laplacian 0.3447950E-01 (-1/4)Del**2(Rho)) -0.8619874E-02 Diamond 0.1001987E-02 Metallicity 0.7757279E+00 Ellipticity -0.1512818E+01 Gb(Abramov) 0.6861029E-02 Vb(Abramov) -0.5102183E-02 Hb(Abramov) 0.1758845E-02 Ex_ueg -0.1379042E-02 Ec_ueg -0.3221238E-03 Delta_ex -0.1602367E-02 Delta_ec 0.5025540E-03 Delta_et -0.3459603E-02 Pxc 0.4281093E+01 Qxc -0.3188448E+01 3,+1 99 3 -1 -0.260482 -1.407923 -3.260257 Rho 0.4353077E-02 |GRAD(Rho)| 0.4450003E-13 GRAD(Rho)x 0.4197200E-13 GRAD(Rho)y -0.1437808E-13 GRAD(Rho)z 0.3445983E-14 Laplacian 0.1657853E-01 (-1/4)Del**2(Rho)) -0.4144634E-02 Diamond 0.4754596E-03 Metallicity 0.4823856E+00 Ellipticity 0.6146100E-01 Gb(Abramov) 0.3096308E-02 Vb(Abramov) -0.2047982E-02 Hb(Abramov) 0.1048326E-02 Ex_ueg -0.5249447E-03 Ec_ueg -0.1191802E-03 Delta_ex -0.9753498E-03 Delta_ec 0.8302009E-03 Delta_et -0.4198477E-02 Pxc 0.4404631E+01 Qxc -0.1174836E+01 3,-1 100 3 +1 -0.553179 1.614908 -0.560813 Rho 0.8971818E-02 |GRAD(Rho)| 0.1033864E-16 GRAD(Rho)x 0.5992857E-17 GRAD(Rho)y -0.5111394E-17 GRAD(Rho)z 0.6696781E-17 Laplacian 0.3456667E-01 (-1/4)Del**2(Rho)) -0.8641667E-02 Diamond 0.9799506E-03 Metallicity 0.7722473E+00 Ellipticity -0.1476995E+01 Gb(Abramov) 0.6873362E-02 Vb(Abramov) -0.5105057E-02 Hb(Abramov) 0.1768305E-02 Ex_ueg -0.1376868E-02 Ec_ueg -0.3216468E-03 Delta_ex -0.1596165E-02 Delta_ec 0.4863746E-03 Delta_et -0.3360702E-02 Pxc 0.4280683E+01 Qxc -0.3281760E+01 3,+1 101 3 +1 -1.062622 2.163082 1.382441 Rho 0.2759587E-01 |GRAD(Rho)| 0.9586620E-15 GRAD(Rho)x 0.4836884E-15 GRAD(Rho)y 0.4400022E-15 GRAD(Rho)z 0.7010539E-15 Laplacian 0.1098677E+00 (-1/4)Del**2(Rho)) -0.2746692E-01 Diamond 0.1556896E-01 Metallicity 0.1580581E+01 Ellipticity -0.3012216E+01 Gb(Abramov) 0.2554689E-01 Vb(Abramov) -0.2362687E-01 Hb(Abramov) 0.1920026E-02 Ex_ueg -0.6159004E-02 Ec_ueg -0.1220280E-02 Delta_ex -0.6931284E-02 Delta_ec 0.1712289E-02 Delta_et -0.1550538E-01 Pxc 0.5047207E+01 Qxc -0.4047964E+01 3,+1 102 3 +3 0.004977 2.280591 -0.026743 Rho 0.4632733E-02 |GRAD(Rho)| 0.5916052E-17 GRAD(Rho)x 0.2738681E-17 GRAD(Rho)y 0.4931270E-17 GRAD(Rho)z 0.1783783E-17 Laplacian 0.1891518E-01 (-1/4)Del**2(Rho)) -0.4728794E-02 Diamond 0.1632978E-03 Metallicity 0.4690274E+00 Ellipticity -0.3298222E+00 Gb(Abramov) 0.3522185E-02 Vb(Abramov) -0.2315576E-02 Hb(Abramov) 0.1206609E-02 Ex_ueg -0.5703849E-03 Ec_ueg -0.1311422E-03 Delta_ex -0.6853902E-03 Delta_ec 0.1646398E-03 Delta_et -0.1049451E-02 Pxc 0.4349363E+01 Qxc -0.4162967E+01 3,+3 103 3 +1 0.515849 1.679266 0.484273 Rho 0.7981606E-02 |GRAD(Rho)| 0.9776295E-17 GRAD(Rho)x -0.5102314E-17 GRAD(Rho)y 0.5197444E-17 GRAD(Rho)z 0.6521420E-17 Laplacian 0.3113650E-01 (-1/4)Del**2(Rho)) -0.7784124E-02 Diamond 0.7564581E-03 Metallicity 0.7054950E+00 Ellipticity -0.1421728E+01 Gb(Abramov) 0.6104693E-02 Vb(Abramov) -0.4425262E-02 Hb(Abramov) 0.1679431E-02 Ex_ueg -0.1178073E-02 Ec_ueg -0.2773970E-03 Delta_ex -0.1397770E-02 Delta_ec 0.4414653E-03 Delta_et -0.2957153E-02 Pxc 0.4246884E+01 Qxc -0.3166206E+01 3,+1 104 3 +1 2.163265 -1.310295 1.156953 Rho 0.2635914E-01 |GRAD(Rho)| 0.5960586E-16 GRAD(Rho)x 0.5824818E-16 GRAD(Rho)y -0.1263186E-16 GRAD(Rho)z -0.6664831E-18 Laplacian 0.1063480E+00 (-1/4)Del**2(Rho)) -0.2658701E-01 Diamond 0.1646539E-01 Metallicity 0.1512757E+01 Ellipticity -0.7731433E+01 Gb(Abramov) 0.2442795E-01 Vb(Abramov) -0.2226890E-01 Hb(Abramov) 0.2159058E-02 Ex_ueg -0.5793754E-02 Ec_ueg -0.1157385E-02 Delta_ex -0.6860884E-02 Delta_ec 0.2076493E-02 Delta_et -0.1851486E-01 Pxc 0.5005899E+01 Qxc -0.3304073E+01 3,+1 105 3 +3 0.960339 -1.170578 -1.243241 Rho 0.4569217E-02 |GRAD(Rho)| 0.6199466E-12 GRAD(Rho)x -0.7092676E-13 GRAD(Rho)y 0.6149459E-12 GRAD(Rho)z -0.3383300E-13 Laplacian 0.1773607E-01 (-1/4)Del**2(Rho)) -0.4434017E-02 Diamond 0.1473858E-03 Metallicity 0.4888310E+00 Ellipticity -0.5762443E+00 Gb(Abramov) 0.3317259E-02 Vb(Abramov) -0.2200501E-02 Hb(Abramov) 0.1116758E-02 Ex_ueg -0.5599820E-03 Ec_ueg -0.1284218E-03 Delta_ex -0.6373590E-03 Delta_ec 0.1489774E-03 Delta_et -0.9545010E-03 Pxc 0.4360490E+01 Qxc -0.4278226E+01 3,+3 106 3 -1 -0.557346 -1.839156 2.776857 Rho 0.1103269E+00 |GRAD(Rho)| 0.4102072E-15 GRAD(Rho)x 0.1466993E-15 GRAD(Rho)y -0.3770652E-15 GRAD(Rho)z -0.6761017E-16 Laplacian 0.4540767E+00 (-1/4)Del**2(Rho)) -0.1135192E+00 Diamond 0.6325357E+00 Metallicity 0.3851407E+01 Ellipticity 0.1026143E-01 Gb(Abramov) 0.1485476E+00 Vb(Abramov) -0.1835759E+00 Hb(Abramov) -0.3502837E-01 Ex_ueg -0.3908050E-01 Ec_ueg -0.5954755E-02 Delta_ex -0.4523371E-01 Delta_ec 0.1229986E-01 Delta_et -0.1555797E+00 Pxc 0.6562907E+01 Qxc -0.3677578E+01 3,-1 107 3 +1 0.373707 -1.773329 -0.723815 Rho 0.7241346E-02 |GRAD(Rho)| 0.2048598E-15 GRAD(Rho)x -0.6412297E-17 GRAD(Rho)y 0.1212818E-15 GRAD(Rho)z 0.1649761E-15 Laplacian 0.2771935E-01 (-1/4)Del**2(Rho)) -0.6929838E-02 Diamond 0.7823091E-03 Metallicity 0.6737968E+00 Ellipticity -0.1908440E+01 Gb(Abramov) 0.5398109E-02 Vb(Abramov) -0.3866380E-02 Hb(Abramov) 0.1531729E-02 Ex_ueg -0.1034691E-02 Ec_ueg -0.2446066E-03 Delta_ex -0.1323488E-02 Delta_ec 0.5876696E-03 Delta_et -0.3673914E-02 Pxc 0.4230022E+01 Qxc -0.2252095E+01 3,+1 108 3 -1 0.112564 -1.998899 -1.033886 Rho 0.7725364E-02 |GRAD(Rho)| 0.7496407E-17 GRAD(Rho)x -0.2108038E-17 GRAD(Rho)y 0.7191755E-17 GRAD(Rho)z -0.1759697E-18 Laplacian 0.2970535E-01 (-1/4)Del**2(Rho)) -0.7426336E-02 Diamond 0.1406863E-02 Metallicity 0.7003419E+00 Ellipticity 0.7316465E+00 Gb(Abramov) 0.5817720E-02 Vb(Abramov) -0.4209104E-02 Hb(Abramov) 0.1608616E-02 Ex_ueg -0.1127917E-02 Ec_ueg -0.2660180E-03 Delta_ex -0.1695145E-02 Delta_ec 0.1086215E-02 Delta_et -0.6662040E-02 Pxc 0.4240000E+01 Qxc -0.1560598E+01 3,-1 109 3 +3 1.102245 1.077760 1.082325 Rho 0.4571082E-02 |GRAD(Rho)| 0.8367968E-15 GRAD(Rho)x 0.4929864E-15 GRAD(Rho)y -0.4384378E-15 GRAD(Rho)z 0.5147480E-15 Laplacian 0.1779084E-01 (-1/4)Del**2(Rho)) -0.4447710E-02 Diamond 0.1180394E-03 Metallicity 0.4876576E+00 Ellipticity -0.2484707E+00 Gb(Abramov) 0.3326633E-02 Vb(Abramov) -0.2205557E-02 Hb(Abramov) 0.1121077E-02 Ex_ueg -0.5602868E-03 Ec_ueg -0.1285017E-03 Delta_ex -0.6081212E-03 Delta_ec 0.9360117E-04 Delta_et -0.6851431E-03 Pxc 0.4360152E+01 Qxc -0.6496940E+01 3,+3 110 3 -1 -0.500012 0.435961 0.446207 Rho 0.1805328E+00 |GRAD(Rho)| 0.1921397E-15 GRAD(Rho)x 0.5204170E-16 GRAD(Rho)y -0.1700029E-15 GRAD(Rho)z -0.7285839E-16 Laplacian 0.4825409E+00 (-1/4)Del**2(Rho)) -0.1206352E+00 Diamond 0.1244948E+01 Metallicity 0.8235171E+01 Ellipticity 0.4254156E-02 Gb(Abramov) 0.2459988E+00 Vb(Abramov) -0.3713623E+00 Hb(Abramov) -0.1253635E+00 Ex_ueg -0.7535752E-01 Ec_ueg -0.1042593E-01 Delta_ex -0.5444702E-01 Delta_ec 0.1200150E-01 Delta_et -0.1643981E+00 Pxc 0.7227891E+01 Qxc -0.4536684E+01 3,-1 111 3 +1 0.455537 -0.801684 -1.765991 Rho 0.5906228E-02 |GRAD(Rho)| 0.1221680E-16 GRAD(Rho)x 0.6076408E-17 GRAD(Rho)y -0.2859169E-17 GRAD(Rho)z -0.1020552E-16 Laplacian 0.2309407E-01 (-1/4)Del**2(Rho)) -0.5773518E-02 Diamond 0.5282046E-03 Metallicity 0.5758328E+00 Ellipticity -0.1839225E+01 Gb(Abramov) 0.4403109E-02 Vb(Abramov) -0.3032700E-02 Hb(Abramov) 0.1370409E-02 Ex_ueg -0.7884946E-03 Ec_ueg -0.1861176E-03 Delta_ex -0.1077925E-02 Delta_ec 0.5339120E-03 Delta_et -0.3124495E-02 Pxc 0.4236540E+01 Qxc -0.2018919E+01 3,+1 112 3 +1 0.552867 0.472547 1.664251 Rho 0.7846434E-02 |GRAD(Rho)| 0.2555485E-13 GRAD(Rho)x 0.2205463E-13 GRAD(Rho)y -0.7517343E-14 GRAD(Rho)z 0.1049444E-13 Laplacian 0.3067102E-01 (-1/4)Del**2(Rho)) -0.7667754E-02 Diamond 0.7487844E-03 Metallicity 0.6961009E+00 Ellipticity -0.1443145E+01 Gb(Abramov) 0.6001425E-02 Vb(Abramov) -0.4335095E-02 Hb(Abramov) 0.1666330E-02 Ex_ueg -0.1151547E-02 Ec_ueg -0.2713907E-03 Delta_ex -0.1381557E-02 Delta_ec 0.4537378E-03 Delta_et -0.3010323E-02 Pxc 0.4243133E+01 Qxc -0.3044835E+01 3,+1 113 3 -1 0.005430 -3.291909 -1.208826 Rho 0.2762982E-01 |GRAD(Rho)| 0.2356944E-16 GRAD(Rho)x 0.5194214E-17 GRAD(Rho)y -0.2255339E-16 GRAD(Rho)z 0.4459040E-17 Laplacian 0.8959002E-01 (-1/4)Del**2(Rho)) -0.2239751E-01 Diamond 0.3171526E-01 Metallicity 0.1942303E+01 Ellipticity 0.5205115E-02 Gb(Abramov) 0.2218213E-01 Vb(Abramov) -0.2196675E-01 Hb(Abramov) 0.2153778E-03 Ex_ueg -0.6169110E-02 Ec_ueg -0.1222012E-02 Delta_ex -0.7459612E-02 Delta_ec 0.4620187E-02 Delta_et -0.4129717E-01 Pxc 0.5048323E+01 Qxc -0.1614569E+01 3,-1 114 3 -1 -0.597622 -2.795667 1.801272 Rho 0.1547894E+00 |GRAD(Rho)| 0.2746862E-15 GRAD(Rho)x 0.2045889E-15 GRAD(Rho)y -0.1563115E-15 GRAD(Rho)z 0.9572150E-16 Laplacian 0.6496092E+00 (-1/4)Del**2(Rho)) -0.1624023E+00 Diamond 0.1338586E+01 Metallicity 0.4733654E+01 Ellipticity 0.3565279E-01 Gb(Abramov) 0.2363942E+00 Vb(Abramov) -0.3103862E+00 Hb(Abramov) -0.7399195E-01 Ex_ueg -0.6138187E-01 Ec_ueg -0.8750808E-02 Delta_ex -0.7003194E-01 Delta_ec 0.1586738E-01 Delta_et -0.2109606E+00 Pxc 0.7014423E+01 Qxc -0.4413579E+01 3,-1 115 3 -1 -0.077968 -3.250743 3.150893 Rho 0.2368024E+00 |GRAD(Rho)| 0.7877289E-15 GRAD(Rho)x 0.1553120E-15 GRAD(Rho)y -0.2494749E-15 GRAD(Rho)z -0.7308607E-15 Laplacian 0.8558646E+00 (-1/4)Del**2(Rho)) -0.2139661E+00 Diamond 0.2985350E+01 Metallicity 0.7297682E+01 Ellipticity 0.2948874E-02 Gb(Abramov) 0.4028869E+00 Vb(Abramov) -0.5918077E+00 Hb(Abramov) -0.1889208E+00 Ex_ueg -0.1082015E+00 Ec_ueg -0.1421835E-01 Delta_ex -0.1030817E+00 Delta_ec 0.1904838E-01 Delta_et -0.2640152E+00 Pxc 0.7609987E+01 Qxc -0.5411576E+01 3,-1 116 3 +1 -0.184278 -2.297460 -1.096844 Rho 0.7273753E-02 |GRAD(Rho)| 0.8560742E-17 GRAD(Rho)x -0.7735954E-17 GRAD(Rho)y 0.1749474E-17 GRAD(Rho)z 0.3221904E-17 Laplacian 0.2875659E-01 (-1/4)Del**2(Rho)) -0.7189149E-02 Diamond 0.8389406E-03 Metallicity 0.6543447E+00 Ellipticity -0.1860018E+01 Gb(Abramov) 0.5576796E-02 Vb(Abramov) -0.3964443E-02 Hb(Abramov) 0.1612353E-02 Ex_ueg -0.1040870E-02 Ec_ueg -0.2460368E-03 Delta_ex -0.1387053E-02 Delta_ec 0.6322290E-03 Delta_et -0.3944741E-02 Pxc 0.4230546E+01 Qxc -0.2193910E+01 3,+1 117 3 +1 1.178120 -1.262548 2.170941 Rho 0.2504973E-01 |GRAD(Rho)| 0.1665701E-15 GRAD(Rho)x 0.1704725E-17 GRAD(Rho)y -0.6343895E-16 GRAD(Rho)z 0.1540071E-15 Laplacian 0.9990462E-01 (-1/4)Del**2(Rho)) -0.2497616E-01 Diamond 0.1465682E-01 Metallicity 0.1479219E+01 Ellipticity -0.9663262E+01 Gb(Abramov) 0.2280831E-01 Vb(Abramov) -0.2064046E-01 Hb(Abramov) 0.2167850E-02 Ex_ueg -0.5413220E-02 Ec_ueg -0.1091218E-02 Delta_ex -0.6385218E-02 Delta_ec 0.1995956E-02 Delta_et -0.1755794E-01 Pxc 0.4960713E+01 Qxc -0.3199077E+01 3,+1 118 3 -1 -0.545913 1.773921 -2.760866 Rho 0.1060843E+00 |GRAD(Rho)| 0.2243033E-15 GRAD(Rho)x 0.1520187E-15 GRAD(Rho)y 0.1293182E-15 GRAD(Rho)z 0.1023673E-15 Laplacian 0.4431323E+00 (-1/4)Del**2(Rho)) -0.1107831E+00 Diamond 0.5866078E+00 Metallicity 0.3696846E+01 Ellipticity 0.5347664E-02 Gb(Abramov) 0.1421134E+00 Vb(Abramov) -0.1734437E+00 Hb(Abramov) -0.3133031E-01 Ex_ueg -0.3708967E-01 Ec_ueg -0.5695066E-02 Delta_ex -0.4370255E-01 Delta_ec 0.1204845E-01 Delta_et -0.1512002E+00 Pxc 0.6512597E+01 Qxc -0.3627234E+01 3,-1 119 3 -1 -0.838359 2.031613 2.983141 Rho 0.1222661E+00 |GRAD(Rho)| 0.1446547E-12 GRAD(Rho)x 0.1077260E-12 GRAD(Rho)y 0.8675547E-13 GRAD(Rho)z -0.4235088E-13 Laplacian 0.4766061E+00 (-1/4)Del**2(Rho)) -0.1191515E+00 Diamond 0.7524275E+00 Metallicity 0.4354756E+01 Ellipticity 0.3943509E-01 Gb(Abramov) 0.1659137E+00 Vb(Abramov) -0.2126758E+00 Hb(Abramov) -0.4676213E-01 Ex_ueg -0.4481877E-01 Ec_ueg -0.6692578E-02 Delta_ex -0.4866782E-01 Delta_ec 0.1263289E-01 Delta_et -0.1627769E+00 Pxc 0.6696787E+01 Qxc -0.3852470E+01 3,-1 120 3 -1 -0.570860 2.745051 -1.794054 Rho 0.1471538E+00 |GRAD(Rho)| 0.4240428E-15 GRAD(Rho)x -0.1679294E-15 GRAD(Rho)y -0.8684459E-16 GRAD(Rho)z 0.3795656E-15 Laplacian 0.6195012E+00 (-1/4)Del**2(Rho)) -0.1548753E+00 Diamond 0.1201889E+01 Metallicity 0.4562368E+01 Ellipticity 0.2683709E-01 Gb(Abramov) 0.2210166E+00 Vb(Abramov) -0.2871578E+00 Hb(Abramov) -0.6614125E-01 Ex_ueg -0.5737823E-01 Ec_ueg -0.8261568E-02 Delta_ex -0.6596123E-01 Delta_ec 0.1533729E-01 Delta_et -0.2025978E+00 Pxc 0.6945199E+01 Qxc -0.4300709E+01 3,-1 121 3 +1 0.174614 2.907441 -0.226521 Rho 0.5496451E-02 |GRAD(Rho)| 0.1448676E-16 GRAD(Rho)x 0.6199032E-17 GRAD(Rho)y 0.4310909E-18 GRAD(Rho)z 0.1308634E-16 Laplacian 0.2288423E-01 (-1/4)Del**2(Rho)) -0.5721058E-02 Diamond 0.5718839E-03 Metallicity 0.5154826E+00 Ellipticity -0.2412610E+01 Gb(Abramov) 0.4305556E-02 Vb(Abramov) -0.2890055E-02 Hb(Abramov) 0.1415502E-02 Ex_ueg -0.7164098E-03 Ec_ueg -0.1683393E-03 Delta_ex -0.1130893E-02 Delta_ec 0.6705965E-03 Delta_et -0.3766803E-02 Pxc 0.4255750E+01 Qxc -0.1686398E+01 3,+1 122 3 -1 -0.013658 2.912499 -0.043684 Rho 0.5556955E-02 |GRAD(Rho)| 0.1308536E-16 GRAD(Rho)x 0.1080050E-16 GRAD(Rho)y 0.3372040E-18 GRAD(Rho)z 0.7379841E-17 Laplacian 0.2230392E-01 (-1/4)Del**2(Rho)) -0.5575981E-02 Diamond 0.7089278E-03 Metallicity 0.5386334E+00 Ellipticity 0.2034862E+01 Gb(Abramov) 0.4217889E-02 Vb(Abramov) -0.2859797E-02 Hb(Abramov) 0.1358092E-02 Ex_ueg -0.7269438E-03 Ec_ueg -0.1709590E-03 Delta_ex -0.1220202E-02 Delta_ec 0.8599186E-03 Delta_et -0.4757528E-02 Pxc 0.4252153E+01 Qxc -0.1418974E+01 3,-1 123 3 -1 -0.840224 2.990298 1.963887 Rho 0.1177415E+00 |GRAD(Rho)| 0.4689005E-12 GRAD(Rho)x -0.3459114E-12 GRAD(Rho)y 0.1882279E-12 GRAD(Rho)z -0.2545256E-12 Laplacian 0.4598572E+00 (-1/4)Del**2(Rho)) -0.1149643E+00 Diamond 0.6917890E+00 Metallicity 0.4238438E+01 Ellipticity 0.3277409E-01 Gb(Abramov) 0.1578544E+00 Vb(Abramov) -0.2007445E+00 Hb(Abramov) -0.4289008E-01 Ex_ueg -0.4262106E-01 Ec_ueg -0.6411771E-02 Delta_ex -0.4650892E-01 Delta_ec 0.1224756E-01 Delta_et -0.1567055E+00 Pxc 0.6647315E+01 Qxc -0.3797403E+01 3,-1 124 3 -1 -0.059628 3.177751 -3.157815 Rho 0.2367204E+00 |GRAD(Rho)| 0.2311898E-10 GRAD(Rho)x -0.4466818E-11 GRAD(Rho)y 0.1548669E-10 GRAD(Rho)z -0.1657399E-10 Laplacian 0.8588385E+00 (-1/4)Del**2(Rho)) -0.2147096E+00 Diamond 0.2992344E+01 Metallicity 0.7268217E+01 Ellipticity 0.1331572E-02 Gb(Abramov) 0.4032324E+00 Vb(Abramov) -0.5917552E+00 Hb(Abramov) -0.1885228E+00 Ex_ueg -0.1081515E+00 Ec_ueg -0.1421270E-01 Delta_ex -0.1034190E+00 Delta_ec 0.1909588E-01 Delta_et -0.2645808E+00 Pxc 0.7609500E+01 Qxc -0.5415776E+01 3,-1 125 3 -1 0.092182 3.224569 3.159413 Rho 0.2360987E+00 |GRAD(Rho)| 0.5796869E-14 GRAD(Rho)x 0.1914579E-14 GRAD(Rho)y -0.5323758E-14 GRAD(Rho)z -0.1263204E-14 Laplacian 0.8492228E+00 (-1/4)Del**2(Rho)) -0.2123057E+00 Diamond 0.2954930E+01 Metallicity 0.7318368E+01 Ellipticity 0.3137754E-02 Gb(Abramov) 0.4004923E+00 Vb(Abramov) -0.5886790E+00 Hb(Abramov) -0.1881866E+00 Ex_ueg -0.1077730E+00 Ec_ueg -0.1416985E-01 Delta_ex -0.1022207E+00 Delta_ec 0.1894950E-01 Delta_et -0.2627535E+00 Pxc 0.7605798E+01 Qxc -0.5394371E+01 3,-1 126 3 -1 0.239963 -1.151530 -1.917668 Rho 0.6254209E-02 |GRAD(Rho)| 0.5765082E-17 GRAD(Rho)x -0.4941265E-17 GRAD(Rho)y 0.3227550E-18 GRAD(Rho)z 0.2952270E-17 Laplacian 0.2475838E-01 (-1/4)Del**2(Rho)) -0.6189596E-02 Diamond 0.9223676E-03 Metallicity 0.5908967E+00 Ellipticity 0.2972834E+00 Gb(Abramov) 0.4735966E-02 Vb(Abramov) -0.3282336E-02 Hb(Abramov) 0.1453630E-02 Ex_ueg -0.8510367E-03 Ec_ueg -0.2012795E-03 Delta_ex -0.1384157E-02 Delta_ec 0.9544795E-03 Delta_et -0.5474678E-02 Pxc 0.4228134E+01 Qxc -0.1450169E+01 3,-1 127 3 +1 1.675249 0.497638 0.552711 Rho 0.7477929E-02 |GRAD(Rho)| 0.2711358E-14 GRAD(Rho)x -0.1308761E-14 GRAD(Rho)y 0.3852093E-15 GRAD(Rho)z -0.2343122E-14 Laplacian 0.2906705E-01 (-1/4)Del**2(Rho)) -0.7266762E-02 Diamond 0.6682895E-03 Metallicity 0.6779242E+00 Ellipticity -0.1435266E+01 Gb(Abramov) 0.5665560E-02 Vb(Abramov) -0.4064359E-02 Hb(Abramov) 0.1601202E-02 Ex_ueg -0.1080008E-02 Ec_ueg -0.2550588E-03 Delta_ex -0.1295720E-02 Delta_ec 0.4334929E-03 Delta_et -0.2837159E-02 Pxc 0.4234349E+01 Qxc -0.2989023E+01 3,+1 128 3 +1 0.159307 -0.134905 2.955486 Rho 0.5126943E-02 |GRAD(Rho)| 0.7730533E-17 GRAD(Rho)x 0.5634604E-17 GRAD(Rho)y 0.5233981E-17 GRAD(Rho)z -0.7860135E-18 Laplacian 0.2094268E-01 (-1/4)Del**2(Rho)) -0.5235670E-02 Diamond 0.4817447E-03 Metallicity 0.5015856E+00 Ellipticity -0.2426811E+01 Gb(Abramov) 0.3928136E-02 Vb(Abramov) -0.2620602E-02 Hb(Abramov) 0.1307534E-02 Ex_ueg -0.6529247E-03 Ec_ueg -0.1523798E-03 Delta_ex -0.1025309E-02 Delta_ec 0.6219788E-03 Delta_et -0.3418504E-02 Pxc 0.4284851E+01 Qxc -0.1648463E+01 3,+1 129 3 -1 0.804882 -2.011740 2.985760 Rho 0.1106055E+00 |GRAD(Rho)| 0.4420701E-14 GRAD(Rho)x -0.2535244E-14 GRAD(Rho)y -0.2826352E-14 GRAD(Rho)z 0.2264258E-14 Laplacian 0.4281519E+00 (-1/4)Del**2(Rho)) -0.1070380E+00 Diamond 0.5988579E+00 Metallicity 0.4101816E+01 Ellipticity 0.2542287E-01 Gb(Abramov) 0.1445337E+00 Vb(Abramov) -0.1820294E+00 Hb(Abramov) -0.3749569E-01 Ex_ueg -0.3921213E-01 Ec_ueg -0.5971854E-02 Delta_ex -0.4268589E-01 Delta_ec 0.1160756E-01 Delta_et -0.1469152E+00 Pxc 0.6566158E+01 Qxc -0.3677423E+01 3,-1 130 3 -1 0.424101 -0.523276 0.422535 Rho 0.1815289E+00 |GRAD(Rho)| 0.1690170E-12 GRAD(Rho)x -0.1028864E-12 GRAD(Rho)y 0.9396650E-13 GRAD(Rho)z -0.9566306E-13 Laplacian 0.4839293E+00 (-1/4)Del**2(Rho)) -0.1209823E+00 Diamond 0.1258858E+01 Metallicity 0.8287193E+01 Ellipticity 0.4234595E-02 Gb(Abramov) 0.2477555E+00 Vb(Abramov) -0.3745287E+00 Hb(Abramov) -0.1267732E+00 Ex_ueg -0.7591239E-01 Ec_ueg -0.1049152E-01 Delta_ex -0.5469484E-01 Delta_ec 0.1204709E-01 Delta_et -0.1652075E+00 Pxc 0.7235593E+01 Qxc -0.4540089E+01 3,-1 131 3 -1 0.531742 1.706371 -1.715299 Rho 0.4673338E-01 |GRAD(Rho)| 0.5092706E-16 GRAD(Rho)x -0.2709807E-16 GRAD(Rho)y 0.3344213E-16 GRAD(Rho)z 0.2721919E-16 Laplacian 0.1933927E+00 (-1/4)Del**2(Rho)) -0.4834817E-01 Diamond 0.9129438E-01 Metallicity 0.2160487E+01 Ellipticity 0.7122835E-02 Gb(Abramov) 0.4964138E-01 Vb(Abramov) -0.5093459E-01 Hb(Abramov) -0.1293211E-02 Ex_ueg -0.1243239E-01 Ec_ueg -0.2235119E-02 Delta_ex -0.1573858E-01 Delta_ec 0.5921998E-02 Delta_et -0.6138446E-01 Pxc 0.5562295E+01 Qxc -0.2657648E+01 3,-1 132 3 -1 0.572942 1.839179 2.756795 Rho 0.1541040E+00 |GRAD(Rho)| 0.1113446E-14 GRAD(Rho)x -0.7760448E-15 GRAD(Rho)y 0.7778337E-15 GRAD(Rho)z -0.1802554E-15 Laplacian 0.6449379E+00 (-1/4)Del**2(Rho)) -0.1612345E+00 Diamond 0.1324288E+01 Metallicity 0.4732805E+01 Ellipticity 0.2737679E-01 Gb(Abramov) 0.2346715E+00 Vb(Abramov) -0.3081086E+00 Hb(Abramov) -0.7343705E-01 Ex_ueg -0.6101974E-01 Ec_ueg -0.8706746E-02 Delta_ex -0.6947478E-01 Delta_ec 0.1581210E-01 Delta_et -0.2102094E+00 Pxc 0.7008329E+01 Qxc -0.4393774E+01 3,-1 133 3 +1 0.332750 -1.587114 -1.643705 Rho 0.5732405E-02 |GRAD(Rho)| 0.5453410E-16 GRAD(Rho)x 0.4207666E-16 GRAD(Rho)y -0.3206929E-16 GRAD(Rho)z -0.1323192E-16 Laplacian 0.2264592E-01 (-1/4)Del**2(Rho)) -0.5661480E-02 Diamond 0.5014916E-03 Metallicity 0.5587077E+00 Ellipticity -0.1795887E+01 Gb(Abramov) 0.4301506E-02 Vb(Abramov) -0.2941531E-02 Hb(Abramov) 0.1359975E-02 Ex_ueg -0.7577063E-03 Ec_ueg -0.1785661E-03 Delta_ex -0.1053262E-02 Delta_ec 0.5290711E-03 Delta_et -0.3066637E-02 Pxc 0.4243282E+01 Qxc -0.1990775E+01 3,+1 134 3 -1 1.718211 -0.606740 1.738812 Rho 0.3777228E-01 |GRAD(Rho)| 0.3004884E-16 GRAD(Rho)x 0.1037488E-16 GRAD(Rho)y 0.2224462E-16 GRAD(Rho)z 0.1733411E-16 Laplacian 0.1569758E+00 (-1/4)Del**2(Rho)) -0.3924395E-01 Diamond 0.5513621E-01 Metallicity 0.1866677E+01 Ellipticity 0.3158428E-01 Gb(Abramov) 0.3837193E-01 Vb(Abramov) -0.3749991E-01 Hb(Abramov) 0.8720208E-03 Ex_ueg -0.9360147E-02 Ec_ueg -0.1751054E-02 Delta_ex -0.1209820E-01 Delta_ec 0.4774430E-02 Delta_et -0.4672641E-01 Pxc 0.5345437E+01 Qxc -0.2533958E+01 3,-1 135 3 -1 0.435235 0.416483 -0.506236 Rho 0.1826494E+00 |GRAD(Rho)| 0.2359479E-15 GRAD(Rho)x -0.1942890E-15 GRAD(Rho)y -0.6938894E-16 GRAD(Rho)z 0.1144917E-15 Laplacian 0.4901481E+00 (-1/4)Del**2(Rho)) -0.1225370E+00 Diamond 0.1282517E+01 Metallicity 0.8266400E+01 Ellipticity 0.1618556E-02 Gb(Abramov) 0.2505147E+00 Vb(Abramov) -0.3784923E+00 Hb(Abramov) -0.1279777E+00 Ex_ueg -0.7653783E-01 Ec_ueg -0.1056538E-01 Delta_ex -0.5546808E-01 Delta_ec 0.1215531E-01 Delta_et -0.1667266E+00 Pxc 0.7244212E+01 Qxc -0.4563278E+01 3,-1 136 3 +1 1.095768 1.327883 -2.187675 Rho 0.2787697E-01 |GRAD(Rho)| 0.3090112E-14 GRAD(Rho)x -0.1468971E-14 GRAD(Rho)y 0.2399865E-14 GRAD(Rho)z -0.1277327E-14 Laplacian 0.1121491E+00 (-1/4)Del**2(Rho)) -0.2803727E-01 Diamond 0.1695660E-01 Metallicity 0.1574805E+01 Ellipticity -0.3678118E+01 Gb(Abramov) 0.2605039E-01 Vb(Abramov) -0.2406350E-01 Hb(Abramov) 0.1986886E-02 Ex_ueg -0.6242797E-02 Ec_ueg -0.1234628E-02 Delta_ex -0.7173697E-02 Delta_ec 0.1888787E-02 Delta_et -0.1712086E-01 Pxc 0.5056418E+01 Qxc -0.3798045E+01 3,+1 137 3 -1 0.866181 -3.017165 1.992929 Rho 0.1496878E+00 |GRAD(Rho)| 0.1256968E-12 GRAD(Rho)x -0.9901201E-13 GRAD(Rho)y 0.3425113E-13 GRAD(Rho)z 0.6944911E-13 Laplacian 0.5825664E+00 (-1/4)Del**2(Rho)) -0.1456416E+00 Diamond 0.1165956E+01 Metallicity 0.4991658E+01 Ellipticity 0.7322224E-01 Gb(Abramov) 0.2182599E+00 Vb(Abramov) -0.2908782E+00 Hb(Abramov) -0.7261831E-01 Ex_ueg -0.5869937E-01 Ec_ueg -0.8423529E-02 Delta_ex -0.6241359E-01 Delta_ec 0.1458068E-01 Delta_et -0.1935629E+00 Pxc 0.6968501E+01 Qxc -0.4280568E+01 3,-1 138 3 +1 1.901391 -1.787238 -1.724912 Rho 0.1456587E-01 |GRAD(Rho)| 0.1022487E-16 GRAD(Rho)x 0.4002610E-17 GRAD(Rho)y 0.4026237E-17 GRAD(Rho)z 0.8503914E-17 Laplacian 0.6808452E-01 (-1/4)Del**2(Rho)) -0.1702113E-01 Diamond 0.3591458E-02 Metallicity 0.8792761E+00 Ellipticity -0.1414673E+01 Gb(Abramov) 0.1384180E-01 Vb(Abramov) -0.1066247E-01 Hb(Abramov) 0.3179331E-02 Ex_ueg -0.2627242E-02 Ec_ueg -0.5792771E-03 Delta_ex -0.3530520E-02 Delta_ec 0.8962725E-03 Delta_et -0.7034906E-02 Pxc 0.4535381E+01 Qxc -0.3939114E+01 3,+1 139 3 -1 1.210629 -2.332325 -1.987283 Rho 0.4654832E-01 |GRAD(Rho)| 0.7073028E-16 GRAD(Rho)x 0.7034063E-17 GRAD(Rho)y 0.4191798E-16 GRAD(Rho)z -0.5653474E-16 Laplacian 0.1256200E+00 (-1/4)Del**2(Rho)) -0.3140500E-01 Diamond 0.8966193E-01 Metallicity 0.3304160E+01 Ellipticity 0.1750579E-01 Gb(Abramov) 0.3823119E-01 Vb(Abramov) -0.4505738E-01 Hb(Abramov) -0.6826189E-02 Ex_ueg -0.1236679E-01 Ec_ueg -0.2224985E-02 Delta_ex -0.1166767E-01 Delta_ec 0.6443899E-02 Delta_et -0.6729418E-01 Pxc 0.5558146E+01 Qxc -0.1810653E+01 3,-1 140 3 +1 1.251725 -2.203912 1.185154 Rho 0.2911105E-01 |GRAD(Rho)| 0.8156361E-16 GRAD(Rho)x 0.3622756E-16 GRAD(Rho)y -0.7249852E-16 GRAD(Rho)z -0.9173417E-17 Laplacian 0.1206842E+00 (-1/4)Del**2(Rho)) -0.3017104E-01 Diamond 0.2191333E-01 Metallicity 0.1572990E+01 Ellipticity -0.1980712E+02 Gb(Abramov) 0.2802382E-01 Vb(Abramov) -0.2587659E-01 Hb(Abramov) 0.2147224E-02 Ex_ueg -0.6613969E-02 Ec_ueg -0.1297846E-02 Delta_ex -0.8035840E-02 Delta_ec 0.2435159E-02 Delta_et -0.2225590E-01 Pxc 0.5096114E+01 Qxc -0.3299924E+01 3,+1 141 3 +1 1.730039 1.802143 1.740521 Rho 0.1208748E-01 |GRAD(Rho)| 0.2009862E-13 GRAD(Rho)x -0.1627682E-13 GRAD(Rho)y 0.1036254E-13 GRAD(Rho)z 0.5624698E-14 Laplacian 0.6024704E-01 (-1/4)Del**2(Rho)) -0.1506176E-01 Diamond 0.2441963E-02 Metallicity 0.7281775E+00 Ellipticity -0.1267002E+01 Gb(Abramov) 0.1186911E-01 Vb(Abramov) -0.8676465E-02 Hb(Abramov) 0.3192648E-02 Ex_ueg -0.2048800E-02 Ec_ueg -0.4636090E-03 Delta_ex -0.2968143E-02 Delta_ec 0.7838882E-03 Delta_et -0.5886862E-02 Pxc 0.4419241E+01 Qxc -0.3786437E+01 3,+1 142 3 -1 1.742927 0.514437 -1.755268 Rho 0.4574841E-01 |GRAD(Rho)| 0.1394620E-15 GRAD(Rho)x -0.8567315E-16 GRAD(Rho)y 0.5320659E-16 GRAD(Rho)z 0.9632670E-16 Laplacian 0.1830754E+00 (-1/4)Del**2(Rho)) -0.4576885E-01 Diamond 0.8113880E-01 Metallicity 0.2202638E+01 Ellipticity 0.2318773E-01 Gb(Abramov) 0.4731460E-01 Vb(Abramov) -0.4886036E-01 Hb(Abramov) -0.1545754E-02 Ex_ueg -0.1208425E-01 Ec_ueg -0.2181245E-02 Delta_ex -0.1468336E-01 Delta_ec 0.5362677E-02 Delta_et -0.5522220E-01 Pxc 0.5540069E+01 Qxc -0.2738065E+01 3,-1 143 3 -1 0.863522 2.979545 -1.982612 Rho 0.1550321E+00 |GRAD(Rho)| 0.2571985E-15 GRAD(Rho)x 0.2468999E-15 GRAD(Rho)y 0.6957867E-16 GRAD(Rho)z 0.1871604E-16 Laplacian 0.6040713E+00 (-1/4)Del**2(Rho)) -0.1510178E+00 Diamond 0.1261612E+01 Metallicity 0.5103811E+01 Ellipticity 0.7395884E-01 Gb(Abramov) 0.2291396E+00 Vb(Abramov) -0.3072614E+00 Hb(Abramov) -0.7812178E-01 Ex_ueg -0.6151023E-01 Ec_ueg -0.8766418E-02 Delta_ex -0.6528639E-01 Delta_ec 0.1499625E-01 Delta_et -0.2000340E+00 Pxc 0.7016576E+01 Qxc -0.4353514E+01 3,-1 144 3 +3 2.321254 0.013490 0.065324 Rho 0.4378611E-02 |GRAD(Rho)| 0.5362777E-14 GRAD(Rho)x -0.3875743E-14 GRAD(Rho)y 0.2314208E-14 GRAD(Rho)z -0.2895244E-14 Laplacian 0.1790609E-01 (-1/4)Del**2(Rho)) -0.4476522E-02 Diamond 0.1475336E-03 Metallicity 0.4509965E+00 Ellipticity -0.3171844E+00 Gb(Abramov) 0.3320830E-02 Vb(Abramov) -0.2165139E-02 Hb(Abramov) 0.1155691E-02 Ex_ueg -0.5290543E-03 Ec_ueg -0.1202707E-03 Delta_ex -0.6442973E-03 Delta_ec 0.1644586E-03 Delta_et -0.1021693E-02 Pxc 0.4398863E+01 Qxc -0.3917686E+01 3,+3 145 3 +1 2.166154 1.344006 -1.072522 Rho 0.2646791E-01 |GRAD(Rho)| 0.4561148E-16 GRAD(Rho)x 0.4533631E-16 GRAD(Rho)y -0.1070394E-17 GRAD(Rho)z -0.4886835E-17 Laplacian 0.1059502E+00 (-1/4)Del**2(Rho)) -0.2648754E-01 Diamond 0.1539012E-01 Metallicity 0.1528894E+01 Ellipticity -0.4218161E+01 Gb(Abramov) 0.2440780E-01 Vb(Abramov) -0.2232807E-01 Hb(Abramov) 0.2079739E-02 Ex_ueg -0.5825652E-02 Ec_ueg -0.1162901E-02 Delta_ex -0.6731208E-02 Delta_ec 0.1869851E-02 Delta_et -0.1672270E-01 Pxc 0.5009584E+01 Qxc -0.3599864E+01 3,+1 146 3 -1 1.750661 1.686814 -0.515420 Rho 0.3822397E-01 |GRAD(Rho)| 0.1303528E-14 GRAD(Rho)x 0.1025205E-14 GRAD(Rho)y -0.2568786E-15 GRAD(Rho)z -0.7629904E-15 Laplacian 0.1564217E+00 (-1/4)Del**2(Rho)) -0.3910543E-01 Diamond 0.5593759E-01 Metallicity 0.1910773E+01 Ellipticity 0.2238841E-01 Gb(Abramov) 0.3852389E-01 Vb(Abramov) -0.3794235E-01 Hb(Abramov) 0.5815404E-03 Ex_ueg -0.9509686E-02 Ec_ueg -0.1775110E-02 Delta_ex -0.1209699E-01 Delta_ec 0.4768351E-02 Delta_et -0.4681926E-01 Pxc 0.5357239E+01 Qxc -0.2536934E+01 3,-1 147 3 -1 3.171306 -0.005554 3.266222 Rho 0.2364268E+00 |GRAD(Rho)| 0.9806897E-15 GRAD(Rho)x -0.2188462E-15 GRAD(Rho)y -0.2399068E-15 GRAD(Rho)z -0.9253666E-15 Laplacian 0.8447808E+00 (-1/4)Del**2(Rho)) -0.2111952E+00 Diamond 0.2948550E+01 Metallicity 0.7373894E+01 Ellipticity 0.2921193E-02 Gb(Abramov) 0.4003520E+00 Vb(Abramov) -0.5895088E+00 Hb(Abramov) -0.1891568E+00 Ex_ueg -0.1079727E+00 Ec_ueg -0.1419246E-01 Delta_ex -0.1017454E+00 Delta_ec 0.1888304E-01 Delta_et -0.2620205E+00 Pxc 0.7607752E+01 Qxc -0.5388187E+01 3,-1 148 3 -1 1.806373 -2.836140 -0.615265 Rho 0.2093570E+00 |GRAD(Rho)| 0.7602220E-15 GRAD(Rho)x 0.6939436E-15 GRAD(Rho)y 0.2172470E-15 GRAD(Rho)z 0.2217736E-15 Laplacian 0.8097145E+00 (-1/4)Del**2(Rho)) -0.2024286E+00 Diamond 0.2416661E+01 Metallicity 0.6281940E+01 Ellipticity 0.2828784E-02 Gb(Abramov) 0.3468932E+00 Vb(Abramov) -0.4913577E+00 Hb(Abramov) -0.1444645E+00 Ex_ueg -0.9181249E-01 Ec_ueg -0.1234663E-01 Delta_ex -0.9434401E-01 Delta_ec 0.1845419E-01 Delta_et -0.2532724E+00 Pxc 0.7436239E+01 Qxc -0.5112335E+01 3,-1 149 3 -1 1.992492 -2.986156 0.828435 Rho 0.1178791E+00 |GRAD(Rho)| 0.1752924E-15 GRAD(Rho)x -0.8392402E-16 GRAD(Rho)y -0.1313037E-15 GRAD(Rho)z -0.8027162E-16 Laplacian 0.4575554E+00 (-1/4)Del**2(Rho)) -0.1143888E+00 Diamond 0.7035763E+00 Metallicity 0.4268061E+01 Ellipticity 0.1887373E-01 Gb(Abramov) 0.1576290E+00 Vb(Abramov) -0.2008691E+00 Hb(Abramov) -0.4324014E-01 Ex_ueg -0.4268749E-01 Ec_ueg -0.6420289E-02 Delta_ex -0.4648518E-01 Delta_ec 0.1253320E-01 Delta_et -0.1609589E+00 Pxc 0.6648842E+01 Qxc -0.3708964E+01 3,-1 150 3 +1 1.973207 -1.980850 2.020638 Rho 0.1192570E-01 |GRAD(Rho)| 0.1488828E-13 GRAD(Rho)x -0.8699246E-14 GRAD(Rho)y 0.8089829E-14 GRAD(Rho)z -0.8974330E-14 Laplacian 0.5511739E-01 (-1/4)Del**2(Rho)) -0.1377935E-01 Diamond 0.1642768E-02 Metallicity 0.7782717E+00 Ellipticity -0.1059711E+01 Gb(Abramov) 0.1097358E-01 Vb(Abramov) -0.8167808E-02 Hb(Abramov) 0.2805770E-02 Ex_ueg -0.2012320E-02 Ec_ueg -0.4561403E-03 Delta_ex -0.2545426E-02 Delta_ec 0.4308222E-03 Delta_et -0.3444973E-02 Pxc 0.4411625E+01 Qxc -0.5908297E+01 3,+1 151 3 -1 1.815477 2.780107 0.556303 Rho 0.1302341E+00 |GRAD(Rho)| 0.1588351E-15 GRAD(Rho)x -0.1264451E-16 GRAD(Rho)y 0.1152066E-15 GRAD(Rho)z 0.1086100E-15 Laplacian 0.5389167E+00 (-1/4)Del**2(Rho)) -0.1347292E+00 Diamond 0.9121377E+00 Metallicity 0.4278577E+01 Ellipticity 0.6416119E-02 Gb(Abramov) 0.1858943E+00 Vb(Abramov) -0.2370594E+00 Hb(Abramov) -0.5116513E-01 Ex_ueg -0.4875487E-01 Ec_ueg -0.7190490E-02 Delta_ex -0.5580329E-01 Delta_ec 0.1394888E-01 Delta_et -0.1813920E+00 Pxc 0.6780465E+01 Qxc -0.4000557E+01 3,-1 152 3 -1 2.018821 2.952365 -0.832207 Rho 0.1062845E+00 |GRAD(Rho)| 0.2015141E-15 GRAD(Rho)x -0.1577684E-15 GRAD(Rho)y 0.1675770E-16 GRAD(Rho)z -0.1242428E-15 Laplacian 0.4128469E+00 (-1/4)Del**2(Rho)) -0.1032117E+00 Diamond 0.5505455E+00 Metallicity 0.3980530E+01 Ellipticity 0.2166716E-01 Gb(Abramov) 0.1372807E+00 Vb(Abramov) -0.1713497E+00 Hb(Abramov) -0.3406899E-01 Ex_ueg -0.3718306E-01 Ec_ueg -0.5707294E-02 Delta_ex -0.4077775E-01 Delta_ec 0.1129865E-01 Delta_et -0.1419486E+00 Pxc 0.6515007E+01 Qxc -0.3609082E+01 3,-1 153 3 -1 1.806327 0.531547 2.793086 Rho 0.1052157E+00 |GRAD(Rho)| 0.4011376E-13 GRAD(Rho)x 0.2938645E-13 GRAD(Rho)y -0.2727012E-13 GRAD(Rho)z -0.1374978E-14 Laplacian 0.4380553E+00 (-1/4)Del**2(Rho)) -0.1095138E+00 Diamond 0.5763303E+00 Metallicity 0.3688798E+01 Ellipticity 0.1422441E-01 Gb(Abramov) 0.1403383E+00 Vb(Abramov) -0.1711627E+00 Hb(Abramov) -0.3082445E-01 Ex_ueg -0.3668531E-01 Ec_ueg -0.5642067E-02 Delta_ex -0.4315290E-01 Delta_ec 0.1199416E-01 Delta_et -0.1503676E+00 Pxc 0.6502105E+01 Qxc -0.3597825E+01 3,-1 154 3 -1 2.014965 0.839669 -3.019433 Rho 0.1589074E+00 |GRAD(Rho)| 0.2873150E-15 GRAD(Rho)x 0.8567908E-16 GRAD(Rho)y 0.2526462E-15 GRAD(Rho)z -0.1066719E-15 Laplacian 0.6238277E+00 (-1/4)Del**2(Rho)) -0.1559569E+00 Diamond 0.1360912E+01 Metallicity 0.5149782E+01 Ellipticity 0.5467659E-01 Gb(Abramov) 0.2378286E+00 Vb(Abramov) -0.3197003E+00 Hb(Abramov) -0.8187171E-01 Ex_ueg -0.6356879E-01 Ec_ueg -0.9016134E-02 Delta_ex -0.6800929E-01 Delta_ec 0.1570018E-01 Delta_et -0.2108720E+00 Pxc 0.7050560E+01 Qxc -0.4331753E+01 3,-1 155 3 +1 2.945870 0.173913 -0.085426 Rho 0.5216354E-02 |GRAD(Rho)| 0.1826697E-14 GRAD(Rho)x 0.8595314E-16 GRAD(Rho)y 0.1401191E-14 GRAD(Rho)z -0.1168803E-14 Laplacian 0.2145896E-01 (-1/4)Del**2(Rho)) -0.5364739E-02 Diamond 0.5511531E-03 Metallicity 0.5038287E+00 Ellipticity -0.4369334E+01 Gb(Abramov) 0.4026978E-02 Vb(Abramov) -0.2689216E-02 Hb(Abramov) 0.1337761E-02 Ex_ueg -0.6681507E-03 Ec_ueg -0.1562352E-03 Delta_ex -0.1094482E-02 Delta_ec 0.7092579E-03 Delta_et -0.3887668E-02 Pxc 0.4276569E+01 Qxc -0.1543137E+01 3,+1 156 3 -1 2.948901 0.081381 0.010094 Rho 0.5223384E-02 |GRAD(Rho)| 0.1705600E-16 GRAD(Rho)x -0.7186132E-18 GRAD(Rho)y 0.1058387E-16 GRAD(Rho)z 0.1335562E-16 Laplacian 0.2102762E-01 (-1/4)Del**2(Rho)) -0.5256905E-02 Diamond 0.6032465E-03 Metallicity 0.5153191E+00 Ellipticity 0.4092556E+01 Gb(Abramov) 0.3956101E-02 Vb(Abramov) -0.2655296E-02 Hb(Abramov) 0.1300804E-02 Ex_ueg -0.6693516E-03 Ec_ueg -0.1565385E-03 Delta_ex -0.1127239E-02 Delta_ec 0.7922726E-03 Delta_et -0.4307184E-02 Pxc 0.4275954E+01 Qxc -0.1422792E+01 3,-1 157 3 +3 1.934533 -1.943712 1.979021 Rho 0.1192163E-01 |GRAD(Rho)| 0.1462740E-16 GRAD(Rho)x 0.1368706E-16 GRAD(Rho)y -0.4737024E-17 GRAD(Rho)z -0.2045912E-17 Laplacian 0.5485962E-01 (-1/4)Del**2(Rho)) -0.1371491E-01 Diamond 0.1461854E-02 Metallicity 0.7814833E+00 Ellipticity -0.9295836E+00 Gb(Abramov) 0.1092960E-01 Vb(Abramov) -0.8144292E-02 Hb(Abramov) 0.2785307E-02 Ex_ueg -0.2011404E-02 Ec_ueg -0.4559523E-03 Delta_ex -0.2483005E-02 Delta_ec 0.3390476E-03 Delta_et -0.2825880E-02 Pxc 0.4411434E+01 Qxc -0.7323469E+01 3,+3 158 3 +1 2.952282 -0.142378 0.236722 Rho 0.5149943E-02 |GRAD(Rho)| 0.8927597E-17 GRAD(Rho)x -0.9233929E-18 GRAD(Rho)y 0.8222661E-17 GRAD(Rho)z 0.3352190E-17 Laplacian 0.2114484E-01 (-1/4)Del**2(Rho)) -0.5286209E-02 Diamond 0.4831272E-03 Metallicity 0.5005102E+00 Ellipticity -0.2323767E+01 Gb(Abramov) 0.3965106E-02 Vb(Abramov) -0.2644004E-02 Hb(Abramov) 0.1321103E-02 Ex_ueg -0.6568331E-03 Ec_ueg -0.1533712E-03 Delta_ex -0.1030584E-02 Delta_ec 0.6180932E-03 Delta_et -0.3405912E-02 Pxc 0.4282637E+01 Qxc -0.1667360E+01 3,+1 159 3 -1 2.991930 -0.879989 2.049879 Rho 0.1704754E+00 |GRAD(Rho)| 0.2556268E-15 GRAD(Rho)x 0.2101861E-15 GRAD(Rho)y -0.5551115E-16 GRAD(Rho)z -0.1344817E-15 Laplacian 0.6596862E+00 (-1/4)Del**2(Rho)) -0.1649216E+00 Diamond 0.1545098E+01 Metallicity 0.5474930E+01 Ellipticity 0.6397213E-01 Gb(Abramov) 0.2604367E+00 Vb(Abramov) -0.3559518E+00 Hb(Abramov) -0.9551513E-01 Ex_ueg -0.6981262E-01 Ec_ueg -0.9766872E-02 Delta_ex -0.7301111E-01 Delta_ec 0.1599670E-01 Delta_et -0.2158818E+00 Pxc 0.7147900E+01 Qxc -0.4564135E+01 3,-1 160 3 -1 2.825670 -0.529978 -1.802390 Rho 0.1270165E+00 |GRAD(Rho)| 0.2838035E-15 GRAD(Rho)x -0.1079865E-15 GRAD(Rho)y 0.1906434E-15 GRAD(Rho)z -0.1803841E-15 Laplacian 0.5219545E+00 (-1/4)Del**2(Rho)) -0.1304886E+00 Diamond 0.8695165E+00 Metallicity 0.4237218E+01 Ellipticity 0.2082015E-01 Gb(Abramov) 0.1791439E+00 Vb(Abramov) -0.2277991E+00 Hb(Abramov) -0.4865525E-01 Ex_ueg -0.4715546E-01 Ec_ueg -0.6988911E-02 Delta_ex -0.5387368E-01 Delta_ec 0.1386306E-01 Delta_et -0.1800479E+00 Pxc 0.6747183E+01 Qxc -0.3886133E+01 3,-1 161 3 -1 2.770656 0.528386 1.875282 Rho 0.1054939E+00 |GRAD(Rho)| 0.5164338E-15 GRAD(Rho)x -0.9320920E-16 GRAD(Rho)y -0.4758428E-15 GRAD(Rho)z 0.1777346E-15 Laplacian 0.4384069E+00 (-1/4)Del**2(Rho)) -0.1096017E+00 Diamond 0.5807286E+00 Metallicity 0.3702102E+01 Ellipticity 0.1446526E-01 Gb(Abramov) 0.1406939E+00 Vb(Abramov) -0.1717862E+00 Hb(Abramov) -0.3109222E-01 Ex_ueg -0.3681474E-01 Ec_ueg -0.5659041E-02 Delta_ex -0.4324773E-01 Delta_ec 0.1205628E-01 Delta_et -0.1513029E+00 Pxc 0.6505474E+01 Qxc -0.3587152E+01 3,-1 162 3 -1 1.689291 -1.755397 0.455577 Rho 0.4964561E-01 |GRAD(Rho)| 0.4520486E-15 GRAD(Rho)x 0.2009958E-15 GRAD(Rho)y -0.3873232E-15 GRAD(Rho)z -0.1180226E-15 Laplacian 0.1968728E+00 (-1/4)Del**2(Rho)) -0.4921820E-01 Diamond 0.9839188E-01 Metallicity 0.2347265E+01 Ellipticity 0.1111437E-01 Gb(Abramov) 0.5206683E-01 Vb(Abramov) -0.5491546E-01 Hb(Abramov) -0.2848627E-02 Ex_ueg -0.1347595E-01 Ec_ueg -0.2395294E-02 Delta_ex -0.1615661E-01 Delta_ec 0.5831545E-02 Delta_et -0.6136862E-01 Pxc 0.5626013E+01 Qxc -0.2770554E+01 3,-1 163 3 -1 3.191814 -3.189761 -0.112500 Rho 0.2420760E+00 |GRAD(Rho)| 0.3635620E-10 GRAD(Rho)x 0.2668734E-10 GRAD(Rho)y -0.2434558E-10 GRAD(Rho)z -0.4105061E-11 Laplacian 0.8919595E+00 (-1/4)Del**2(Rho)) -0.2229899E+00 Diamond 0.3172857E+01 Metallicity 0.7264195E+01 Ellipticity 0.1038591E-01 Gb(Abramov) 0.4186336E+00 Vb(Abramov) -0.6142773E+00 Hb(Abramov) -0.1956437E+00 Ex_ueg -0.1114262E+00 Ec_ueg -0.1458274E-01 Delta_ex -0.1079327E+00 Delta_ec 0.1951640E-01 Delta_et -0.2697994E+00 Pxc 0.7640966E+01 Qxc -0.5530358E+01 3,-1 164 3 -1 3.019980 0.868114 -1.989134 Rho 0.1329391E+00 |GRAD(Rho)| 0.4082055E-15 GRAD(Rho)x 0.1059469E-15 GRAD(Rho)y -0.3072358E-15 GRAD(Rho)z -0.2470084E-15 Laplacian 0.5334193E+00 (-1/4)Del**2(Rho)) -0.1333548E+00 Diamond 0.9415153E+00 Metallicity 0.4473345E+01 Ellipticity 0.2376068E-01 Gb(Abramov) 0.1883269E+00 Vb(Abramov) -0.2432990E+00 Hb(Abramov) -0.5497209E-01 Ex_ueg -0.5010974E-01 Ec_ueg -0.7360489E-02 Delta_ex -0.5569823E-01 Delta_ec 0.1407474E-01 Delta_et -0.1842798E+00 Pxc 0.6807936E+01 Qxc -0.3957319E+01 3,-1 165 3 -1 2.793532 1.809311 0.621050 Rho 0.1564903E+00 |GRAD(Rho)| 0.9214582E-13 GRAD(Rho)x -0.4451139E-13 GRAD(Rho)y 0.7532202E-13 GRAD(Rho)z -0.2891681E-13 Laplacian 0.6573857E+00 (-1/4)Del**2(Rho)) -0.1643464E+00 Diamond 0.1373637E+01 Metallicity 0.4763635E+01 Ellipticity 0.3182469E-01 Gb(Abramov) 0.2400454E+00 Vb(Abramov) -0.3157443E+00 Hb(Abramov) -0.7569893E-01 Ex_ueg -0.6228281E-01 Ec_ueg -0.8860271E-02 Delta_ex -0.7107365E-01 Delta_ec 0.1603168E-01 Delta_et -0.2134835E+00 Pxc 0.7029447E+01 Qxc -0.4433326E+01 3,-1 166 3 -1 3.016870 1.981251 -0.811078 Rho 0.1395262E+00 |GRAD(Rho)| 0.4721924E-12 GRAD(Rho)x -0.1240361E-12 GRAD(Rho)y 0.2812145E-12 GRAD(Rho)z 0.3584677E-12 Laplacian 0.5479844E+00 (-1/4)Del**2(Rho)) -0.1369961E+00 Diamond 0.1011606E+01 Metallicity 0.4719958E+01 Ellipticity 0.4864253E-01 Gb(Abramov) 0.1991000E+00 Vb(Abramov) -0.2612040E+00 Hb(Abramov) -0.6210394E-01 Ex_ueg -0.5344736E-01 Ec_ueg -0.7776451E-02 Delta_ex -0.5774517E-01 Delta_ec 0.1402768E-01 Delta_et -0.1845232E+00 Pxc 0.6872975E+01 Qxc -0.4116515E+01 3,-1 167 3 -1 3.280562 0.006773 -3.209028 Rho 0.2466981E+00 |GRAD(Rho)| 0.4557879E-12 GRAD(Rho)x -0.3419741E-12 GRAD(Rho)y 0.7266747E-13 GRAD(Rho)z 0.2924308E-12 Laplacian 0.8996997E+00 (-1/4)Del**2(Rho)) -0.2249249E+00 Diamond 0.3278365E+01 Metallicity 0.7432332E+01 Ellipticity 0.2994685E-02 Gb(Abramov) 0.4285694E+00 Vb(Abramov) -0.6322139E+00 Hb(Abramov) -0.2036445E+00 Ex_ueg -0.1142719E+00 Ec_ueg -0.1490336E-01 Delta_ex -0.1094320E+00 Delta_ec 0.1961339E-01 Delta_et -0.2714529E+00 Pxc 0.7667525E+01 Qxc -0.5579457E+01 3,-1 168 3 -1 -3.050855 -0.831286 -1.993413 Rho 0.1116368E+00 |GRAD(Rho)| 0.2649855E-14 GRAD(Rho)x 0.1162820E-14 GRAD(Rho)y 0.1898160E-14 GRAD(Rho)z -0.1437557E-14 Laplacian 0.4269474E+00 (-1/4)Del**2(Rho)) -0.1067368E+00 Diamond 0.6118423E+00 Metallicity 0.4177514E+01 Ellipticity 0.2172674E-02 Gb(Abramov) 0.1454737E+00 Vb(Abramov) -0.1842105E+00 Hb(Abramov) -0.3873683E-01 Ex_ueg -0.3970041E-01 Ec_ueg -0.6035207E-02 Delta_ex -0.4277685E-01 Delta_ec 0.1176023E-01 Delta_et -0.1494116E+00 Pxc 0.6578137E+01 Qxc -0.3637415E+01 3,-1 169 3 -1 -3.142693 -0.059025 3.288182 Rho 0.2366831E+00 |GRAD(Rho)| 0.4034411E-14 GRAD(Rho)x -0.3044494E-14 GRAD(Rho)y -0.2645413E-14 GRAD(Rho)z -0.9654820E-16 Laplacian 0.8506537E+00 (-1/4)Del**2(Rho)) -0.2126634E+00 Diamond 0.2969757E+01 Metallicity 0.7336221E+01 Ellipticity 0.1624297E-02 Gb(Abramov) 0.4018000E+00 Vb(Abramov) -0.5909365E+00 Hb(Abramov) -0.1891365E+00 Ex_ueg -0.1081288E+00 Ec_ueg -0.1421013E-01 Delta_ex -0.1024644E+00 Delta_ec 0.1897763E-01 Delta_et -0.2632129E+00 Pxc 0.7609278E+01 Qxc -0.5399221E+01 3,-1 170 3 -1 -2.975579 0.834216 2.055492 Rho 0.1132989E+00 |GRAD(Rho)| 0.1129460E-15 GRAD(Rho)x 0.5476237E-16 GRAD(Rho)y 0.9078160E-16 GRAD(Rho)z 0.3894319E-16 Laplacian 0.4421013E+00 (-1/4)Del**2(Rho)) -0.1105253E+00 Diamond 0.6343128E+00 Metallicity 0.4134921E+01 Ellipticity 0.3109258E-01 Gb(Abramov) 0.1498525E+00 Vb(Abramov) -0.1891796E+00 Hb(Abramov) -0.3932715E-01 Ex_ueg -0.4049043E-01 Ec_ueg -0.6137463E-02 Delta_ex -0.4429603E-01 Delta_ec 0.1186225E-01 Delta_et -0.1507138E+00 Pxc 0.6597259E+01 Qxc -0.3734201E+01 3,-1 171 3 -1 -2.786216 0.548565 -1.802493 Rho 0.1396638E+00 |GRAD(Rho)| 0.5317623E-15 GRAD(Rho)x 0.2961498E-15 GRAD(Rho)y -0.2214618E-15 GRAD(Rho)z 0.3821271E-15 Laplacian 0.5917443E+00 (-1/4)Del**2(Rho)) -0.1479361E+00 Diamond 0.1106517E+01 Metallicity 0.4378097E+01 Ellipticity 0.4423418E-02 Gb(Abramov) 0.2065705E+00 Vb(Abramov) -0.2652049E+00 Hb(Abramov) -0.5863440E-01 Ex_ueg -0.5351762E-01 Ec_ueg -0.7785167E-02 Delta_ex -0.6251208E-01 Delta_ec 0.1539529E-01 Delta_et -0.2030687E+00 Pxc 0.6874306E+01 Qxc -0.4060469E+01 3,-1 172 3 -1 -3.226749 0.169317 -3.195835 Rho 0.2467934E+00 |GRAD(Rho)| 0.8783869E-11 GRAD(Rho)x -0.6252202E-11 GRAD(Rho)y 0.2388363E-11 GRAD(Rho)z -0.5688765E-11 Laplacian 0.9143531E+00 (-1/4)Del**2(Rho)) -0.2285883E+00 Diamond 0.3320594E+01 Metallicity 0.7317932E+01 Ellipticity 0.4623722E-02 Gb(Abramov) 0.4311911E+00 Vb(Abramov) -0.6337940E+00 Hb(Abramov) -0.2026028E+00 Ex_ueg -0.1143308E+00 Ec_ueg -0.1490998E-01 Delta_ex -0.1111604E+00 Delta_ec 0.1981407E-01 Delta_et -0.2736976E+00 Pxc 0.7668067E+01 Qxc -0.5610175E+01 3,-1 173 3 -1 -2.756268 -0.550732 1.885796 Rho 0.1227761E+00 |GRAD(Rho)| 0.1219286E-15 GRAD(Rho)x -0.6188423E-16 GRAD(Rho)y -0.8598401E-16 GRAD(Rho)z -0.6036296E-16 Laplacian 0.5143582E+00 (-1/4)Del**2(Rho)) -0.1285895E+00 Diamond 0.8141673E+00 Metallicity 0.4063221E+01 Ellipticity 0.4549991E-02 Gb(Abramov) 0.1728077E+00 Vb(Abramov) -0.2170258E+00 Hb(Abramov) -0.4421811E-01 Ex_ueg -0.4506819E-01 Ec_ueg -0.6724316E-02 Delta_ex -0.5255003E-01 Delta_ec 0.1357527E-01 Delta_et -0.1749665E+00 Pxc 0.6702271E+01 Qxc -0.3871011E+01 3,-1 174 3 -1 -2.200251 -0.907560 -3.075498 Rho 0.1492080E+00 |GRAD(Rho)| 0.1381739E-12 GRAD(Rho)x 0.7924600E-13 GRAD(Rho)y -0.1065836E-12 GRAD(Rho)z 0.3810559E-13 Laplacian 0.5664568E+00 (-1/4)Del**2(Rho)) -0.1416142E+00 Diamond 0.1166592E+01 Metallicity 0.5106224E+01 Ellipticity 0.1261427E+00 Gb(Abramov) 0.2149284E+00 Vb(Abramov) -0.2882426E+00 Hb(Abramov) -0.7331422E-01 Ex_ueg -0.5844865E-01 Ec_ueg -0.8392833E-02 Delta_ex -0.6101329E-01 Delta_ec 0.1485589E-01 Delta_et -0.1986787E+00 Pxc 0.6964114E+01 Qxc -0.4107011E+01 3,-1 175 3 -1 -0.559503 -0.505313 -0.509847 Rho 0.1888406E+00 |GRAD(Rho)| 0.2468920E-15 GRAD(Rho)x -0.1942890E-15 GRAD(Rho)y -0.1318390E-15 GRAD(Rho)z -0.7632783E-16 Laplacian 0.5141663E+00 (-1/4)Del**2(Rho)) -0.1285416E+00 Diamond 0.1382900E+01 Metallicity 0.8330453E+01 Ellipticity 0.2132926E-01 Gb(Abramov) 0.2641627E+00 Vb(Abramov) -0.3997837E+00 Hb(Abramov) -0.1356211E+00 Ex_ueg -0.8001640E-01 Ec_ueg -0.1097472E-01 Delta_ex -0.5854812E-01 Delta_ec 0.1241192E-01 Delta_et -0.1701503E+00 Pxc 0.7290973E+01 Qxc -0.4717088E+01 3,-1 176 3 -1 -0.851812 -3.447529 -1.265394 Rho 0.3203923E+00 |GRAD(Rho)| 0.4936558E-15 GRAD(Rho)x -0.1511005E-15 GRAD(Rho)y 0.4083189E-15 GRAD(Rho)z 0.2326807E-15 Laplacian -0.1667944E+01 (-1/4)Del**2(Rho)) 0.4169861E+00 Diamond 0.5743696E+01 Metallicity -0.6197764E+01 Ellipticity 0.4180170E-02 Gb(Abramov) 0.1527395E+00 Vb(Abramov) -0.7224651E+00 Hb(Abramov) -0.5697256E+00 Ex_ueg -0.1619178E+00 Ec_ueg -0.2017385E-01 Delta_ex 0.1665193E+00 Delta_ec 0.5758474E-01 Delta_et -0.1369838E+01 Pxc 0.8026120E+01 Qxc 0.2891726E+01 3,-1 177 3 -1 0.857601 1.967544 -2.969311 Rho 0.1116493E+00 |GRAD(Rho)| 0.8723809E-13 GRAD(Rho)x -0.5907773E-13 GRAD(Rho)y 0.5788256E-13 GRAD(Rho)z 0.2774736E-13 Laplacian 0.4328575E+00 (-1/4)Del**2(Rho)) -0.1082144E+00 Diamond 0.6108033E+00 Metallicity 0.4121245E+01 Ellipticity 0.3018623E-01 Gb(Abramov) 0.1464726E+00 Vb(Abramov) -0.1847308E+00 Hb(Abramov) -0.3825819E-01 Ex_ueg -0.3970634E-01 Ec_ueg -0.6035975E-02 Delta_ex -0.4322849E-01 Delta_ec 0.1166982E-01 Delta_et -0.1478994E+00 Pxc 0.6578281E+01 Qxc -0.3704297E+01 3,-1 178 3 -1 1.218764 -1.817669 -2.569683 Rho 0.3074858E+00 |GRAD(Rho)| 0.4206832E-15 GRAD(Rho)x 0.3404229E-15 GRAD(Rho)y -0.1926017E-15 GRAD(Rho)z 0.1548910E-15 Laplacian -0.1540990E+01 (-1/4)Del**2(Rho)) 0.3852474E+00 Diamond 0.5231183E+01 Metallicity -0.6264049E+01 Ellipticity 0.3526099E-02 Gb(Abramov) 0.1453698E+00 Vb(Abramov) -0.6759871E+00 Hb(Abramov) -0.5306173E+00 Ex_ueg -0.1532799E+00 Ec_ueg -0.1922910E-01 Delta_ex 0.1506943E+00 Delta_ec 0.5443545E-01 Delta_et -0.1268772E+01 Pxc 0.7971243E+01 Qxc 0.2768311E+01 3,-1 179 3 -1 1.957746 -0.882533 3.046274 Rho 0.1537389E+00 |GRAD(Rho)| 0.8818216E-16 GRAD(Rho)x -0.4790818E-16 GRAD(Rho)y 0.2786400E-16 GRAD(Rho)z 0.6858934E-16 Laplacian 0.5961685E+00 (-1/4)Del**2(Rho)) -0.1490421E+00 Diamond 0.1236277E+01 Metallicity 0.5099770E+01 Ellipticity 0.6250988E-01 Gb(Abramov) 0.2260415E+00 Vb(Abramov) -0.3030409E+00 Hb(Abramov) -0.7699939E-01 Ex_ueg -0.6082707E-01 Ec_ueg -0.8683288E-02 Delta_ex -0.6433392E-01 Delta_ec 0.1489390E-01 Delta_et -0.1986030E+00 Pxc 0.7005073E+01 Qxc -0.4319481E+01 3,-1 180 3 -1 1.939161 -0.616146 -2.822221 Rho 0.1569362E+00 |GRAD(Rho)| 0.5893213E-12 GRAD(Rho)x 0.3689336E-12 GRAD(Rho)y 0.4344911E-12 GRAD(Rho)z 0.1496835E-12 Laplacian 0.6023680E+00 (-1/4)Del**2(Rho)) -0.1505920E+00 Diamond 0.1312811E+01 Metallicity 0.5223437E+01 Ellipticity 0.1138377E+00 Gb(Abramov) 0.2314959E+00 Vb(Abramov) -0.3123999E+00 Hb(Abramov) -0.8090396E-01 Ex_ueg -0.6251954E-01 Ec_ueg -0.8888996E-02 Delta_ex -0.6563879E-01 Delta_ec 0.1551366E-01 Delta_et -0.2087730E+00 Pxc 0.7033363E+01 Qxc -0.4231032E+01 3,-1 181 3 -1 2.961870 -1.979160 0.827506 Rho 0.9194849E-01 |GRAD(Rho)| 0.4979866E-15 GRAD(Rho)x 0.1517053E-15 GRAD(Rho)y 0.2026577E-15 GRAD(Rho)z 0.4288426E-15 Laplacian 0.3656909E+00 (-1/4)Del**2(Rho)) -0.9142272E-01 Diamond 0.4107717E+00 Metallicity 0.3529718E+01 Ellipticity 0.6247062E-02 Gb(Abramov) 0.1147312E+00 Vb(Abramov) -0.1380397E+00 Hb(Abramov) -0.2330850E-01 Ex_ueg -0.3065099E-01 Ec_ueg -0.4839958E-02 Delta_ex -0.3494754E-01 Delta_ec 0.1037814E-01 Delta_et -0.1267252E+00 Pxc 0.6332904E+01 Qxc -0.3367420E+01 3,-1 182 3 -1 2.788446 -1.781804 -0.597269 Rho 0.1505388E+00 |GRAD(Rho)| 0.6923703E-15 GRAD(Rho)x -0.1531300E-15 GRAD(Rho)y -0.5674172E-15 GRAD(Rho)z 0.3660131E-15 Laplacian 0.6222302E+00 (-1/4)Del**2(Rho)) -0.1555576E+00 Diamond 0.1266176E+01 Metallicity 0.4717834E+01 Ellipticity 0.1182080E-01 Gb(Abramov) 0.2260208E+00 Vb(Abramov) -0.2964841E+00 Hb(Abramov) -0.7046328E-01 Ex_ueg -0.5914476E-01 Ec_ueg -0.8478013E-02 Delta_ex -0.6687846E-01 Delta_ec 0.1576954E-01 Delta_et -0.2100193E+00 Pxc 0.6976252E+01 Qxc -0.4240991E+01 3,-1 183 3 -1 3.220769 3.171580 0.108544 Rho 0.2371842E+00 |GRAD(Rho)| 0.2268815E-15 GRAD(Rho)x 0.6136584E-16 GRAD(Rho)y -0.2182499E-15 GRAD(Rho)z -0.8741380E-17 Laplacian 0.8454692E+00 (-1/4)Del**2(Rho)) -0.2113673E+00 Diamond 0.2965135E+01 Metallicity 0.7407270E+01 Ellipticity 0.1541366E-02 Gb(Abramov) 0.4018540E+00 Vb(Abramov) -0.5923407E+00 Hb(Abramov) -0.1904867E+00 Ex_ueg -0.1084341E+00 Ec_ueg -0.1424468E-01 Delta_ex -0.1019283E+00 Delta_ec 0.1890775E-01 Delta_et -0.2625145E+00 Pxc 0.7612254E+01 Qxc -0.5390820E+01 3,-1 184 3 -1 -1.781731 -0.561267 2.845158 Rho 0.1529077E+00 |GRAD(Rho)| 0.5195094E-15 GRAD(Rho)x 0.3544799E-15 GRAD(Rho)y -0.3788067E-15 GRAD(Rho)z -0.2719315E-16 Laplacian 0.6358384E+00 (-1/4)Del**2(Rho)) -0.1589596E+00 Diamond 0.1294418E+01 Metallicity 0.4738584E+01 Ellipticity 0.3261156E-01 Gb(Abramov) 0.2315136E+00 Vb(Abramov) -0.3040677E+00 Hb(Abramov) -0.7255404E-01 Ex_ueg -0.6038895E-01 Ec_ueg -0.8629907E-02 Delta_ex -0.6837184E-01 Delta_ec 0.1563678E-01 Delta_et -0.2077128E+00 Pxc 0.6997636E+01 Qxc -0.4372502E+01 3,-1 185 3 -1 -1.786689 -0.525801 -1.754168 Rho 0.5277585E-01 |GRAD(Rho)| 0.2032846E-15 GRAD(Rho)x -0.1435103E-15 GRAD(Rho)y 0.8622711E-16 GRAD(Rho)z -0.1153011E-15 Laplacian 0.2112365E+00 (-1/4)Del**2(Rho)) -0.5280913E-01 Diamond 0.1156308E+00 Metallicity 0.2422346E+01 Ellipticity 0.1898703E-01 Gb(Abramov) 0.5652642E-01 Vb(Abramov) -0.6024371E-01 Hb(Abramov) -0.3717286E-02 Ex_ueg -0.1462060E-01 Ec_ueg -0.2568877E-02 Delta_ex -0.1764159E-01 Delta_ec 0.6319212E-02 Delta_et -0.6758664E-01 Pxc 0.5691437E+01 Qxc -0.2791738E+01 3,-1 186 3 -1 -1.655598 -2.184605 -3.113272 Rho 0.3252187E+00 |GRAD(Rho)| 0.1027444E-13 GRAD(Rho)x -0.9560413E-14 GRAD(Rho)y 0.3660341E-14 GRAD(Rho)z 0.8743485E-15 Laplacian -0.1674133E+01 (-1/4)Del**2(Rho)) 0.4185333E+00 Diamond 0.5915111E+01 Metallicity -0.6330660E+01 Ellipticity 0.1948921E-02 Gb(Abramov) 0.1625765E+00 Vb(Abramov) -0.7436863E+00 Hb(Abramov) -0.5811098E+00 Ex_ueg -0.1651781E+00 Ec_ueg -0.2052954E-01 Delta_ex 0.1679558E+00 Delta_ec 0.5808965E-01 Delta_et -0.1389289E+01 Pxc 0.8045875E+01 Qxc 0.2891321E+01 3,-1 187 3 -1 0.563435 2.806698 1.770578 Rho 0.1363488E+00 |GRAD(Rho)| 0.6695465E-12 GRAD(Rho)x 0.4142486E-12 GRAD(Rho)y 0.1571562E-12 GRAD(Rho)z -0.5019886E-12 Laplacian 0.5650944E+00 (-1/4)Del**2(Rho)) -0.1412736E+00 Diamond 0.1010393E+01 Metallicity 0.4404644E+01 Ellipticity 0.1259909E-01 Gb(Abramov) 0.1978924E+00 Vb(Abramov) -0.2545112E+00 Hb(Abramov) -0.5661879E-01 Ex_ueg -0.5183065E-01 Ec_ueg -0.7575451E-02 Delta_ex -0.5916614E-01 Delta_ec 0.1445975E-01 Delta_et -0.1893695E+00 Pxc 0.6841923E+01 Qxc -0.4091782E+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 69 106 114 129 137 115 130 175 135 110 131 118 120 177 143 124 85 132 187 119 123 125 162 182 148 181 149 163 146 165 151 166 152 183 80 72 81 73 83 63 78 65 77 59 75 56 185 171 86 168 174 172 88 173 184 170 90 169 134 161 153 159 179 147 142 160 180 164 154 167 126 108 68 156 99 178 122 113 139 186 92 176 1 1 1 1 1 1 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 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 2.395857 2.013317 1.875008 2.023690 1.900913 1.721664 1.709350 1.691187 1.706415 1.711371 2.379464 2.027105 1.894682 2.020106 1.886921 1.721761 2.410488 1.878189 1.927165 1.983298 1.998626 1.723017 2.374729 1.912260 1.795115 2.119863 2.020759 1.740427 2.463540 1.870834 1.946161 1.928369 2.040491 1.721403 2.368613 1.933939 1.998322 1.901499 1.918978 1.733147 2.349086 1.907743 2.034899 1.879751 1.964395 1.732774 2.345923 1.940162 1.872957 2.044684 1.932480 1.732751 2.419140 1.968511 1.881135 2.013743 1.925446 1.722024 2.465968 2.029043 2.030929 1.849393 1.889876 1.722507 2.405688 1.979965 1.909913 1.970456 1.901375 1.733278 3.223065 3.112855 3.237392 3.275564 3.313578 1.006303 3.238167 1.882881 1.687185 0.989534 2.025531 0.995996 2.397618 2.013948 1.875630 2.024471 1.901664 1.721681 1.709363 1.691231 1.706431 1.711376 2.381174 2.027595 1.895229 2.020907 1.887593 1.721780 2.412148 1.878710 1.927696 1.984080 1.999586 1.723030 2.376307 1.912649 1.795205 2.120490 2.021327 1.740446 2.465181 1.871337 1.946735 1.929191 2.041253 1.721414 2.370346 1.934388 1.998726 1.902040 1.919577 1.733152 2.351240 1.908303 2.035230 1.880305 1.965803 1.732780 2.347762 1.940519 1.873368 2.045276 1.934011 1.732757 2.420672 1.969065 1.881785 2.014644 1.926193 1.722039 2.467679 2.029611 2.031572 1.849970 1.890534 1.722525 2.407554 1.980423 1.911316 1.971079 1.901971 1.733282 3.253668 3.118546 3.251613 3.283778 3.318087 1.006398 3.244514 1.883684 1.691512 0.989658 2.040599 0.996141 30 27 26 27 26 23 22 21 26 23 30 26 27 25 29 24 30 29 26 27 29 24 30 25 27 27 26 24 31 28 26 28 28 24 30 28 28 28 28 22 30 27 26 27 27 22 27 25 29 27 24 21 31 25 26 27 28 24 31 28 29 24 24 22 30 28 25 28 26 22 35 35 35 35 35 18 35 26 25 21 28 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 Mo As Mo Mo W Mo W W W Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 2.3572 2.4635 2.3720 2.3686 2.4149 2.3685 2.4705 2.4825 2.5193 2.3645 2.3400 2.4599 -1.1235 -1.0398 -1.1239 -1.1289 -0.9254 -0.9697 -0.9535 -0.8941 -0.7567 -0.8939 -0.9290 -0.8931 -0.9156 -0.9135 -0.9035 -0.8873 -0.8873 -0.9560 -0.9180 -0.9189 -0.8898 -0.9225 -0.8964 -0.7669 -0.8126 -0.9202 -0.9173 -0.8851 -0.6833 -0.7661 -0.6814 -0.6901 -0.7868 -0.6871 -0.7641 -0.7632 -0.7637 -0.6863 -0.6887 0.2967 0.3313 0.2940 1.9334 0.8238 1.9354 1.9266 2.1176 1.9223 2.0911 2.1022 2.0947 1.9292 1.9402 2.0969 1.9370 1.9438 1.9372 1.9348 1.9373 1.9331 1.9332 1.9454 1.8786 1.9451 1.9387 1.9441 1.9400 1.9426 1.9424 1.9625 1.9567 1.9454 1.9498 1.9490 1.9511 1.9489 1.9502 1.8811 1.8827 1.9490 1.9514 1.9523 1.9816 1.9683 1.9818 1.9807 1.9669 1.9818 1.9697 1.9695 1.9692 1.9814 1.9809 0.5730 0.5318 0.5416 6.0702 1.1582 6.0655 6.0645 6.1079 6.0687 6.0952 6.0939 6.0831 6.0683 6.0689 6.1089 5.1493 5.0582 5.1494 5.1568 4.9594 5.0064 4.9902 4.9220 4.8460 4.9228 4.9617 4.9222 4.9477 4.9426 4.9343 4.8910 4.9010 4.9773 4.9379 4.9393 4.9099 4.9437 4.9178 4.8543 4.8985 4.9411 4.9359 4.9043 4.6667 4.7613 4.6647 4.6748 4.7844 4.6703 4.7577 4.7571 4.7581 4.6701 4.6730 0.1302 0.1369 0.1644 3.6392 10.5545 3.6271 3.6403 3.3310 3.6406 3.3141 3.2925 3.2738 3.6381 3.6509 3.3054 0.0372 0.0379 0.0372 0.0373 0.0287 0.0302 0.0302 0.0267 0.0321 0.0260 0.0286 0.0268 0.0278 0.0283 0.0268 0.0338 0.0297 0.0333 0.0302 0.0307 0.0288 0.0298 0.0284 0.0316 0.0314 0.0300 0.0301 0.0285 0.0349 0.0366 0.0348 0.0346 0.0355 0.0350 0.0367 0.0366 0.0365 0.0348 0.0348 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 14.0285 0.0000 14.0292 14.0288 14.0291 0.0000 0.0000 14.0288 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 Mo As Mo Mo W Mo W W W Mo Mo W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O H H H 3.174128 2.316333 3.175245 3.179822 2.484480 3.176303 2.515930 2.523119 2.532452 3.178838 3.171433 2.516920 -1.171368 -1.038158 -1.173240 -1.179592 -1.056145 -0.956399 -0.954061 -1.162109 -0.609618 -1.164031 -1.036491 -1.166786 -1.072161 -1.068157 -1.178740 -0.758145 -1.050093 -0.919209 -1.041520 -1.017706 -1.140459 -1.012491 -1.144316 -0.583744 -0.568389 -1.023705 -1.046309 -1.131786 -0.949174 -0.799719 -0.948722 -0.956176 -0.821973 -0.951727 -0.792398 -0.791576 -0.792342 -0.952897 -0.954861 0.072034 0.068872 0.050584 2.377826 1.682693 2.374220 2.383246 1.923518 2.384046 1.954477 1.957055 1.955215 2.376918 2.386316 1.954577 -0.863760 -0.726760 -0.864834 -0.874688 -0.805022 -0.723516 -0.702946 -0.911981 -0.721240 -0.914644 -0.797687 -0.912435 -0.819281 -0.817710 -0.905079 -0.624385 -0.844562 -0.758046 -0.831860 -0.838572 -0.914199 -0.821349 -0.918100 -0.744123 -0.748251 -0.833326 -0.843735 -0.916434 -0.704506 -0.671051 -0.707545 -0.713439 -0.703525 -0.706079 -0.672037 -0.665339 -0.671490 -0.711237 -0.706373 0.352895 0.292734 0.275412 2.456256 1.668115 2.451952 2.464062 2.004095 2.464001 2.047327 2.075395 2.079608 2.458745 2.464215 2.051534 -0.874594 -0.802895 -0.876096 -0.889211 -0.887372 -0.806716 -0.787005 -0.989681 -0.771547 -0.992090 -0.873978 -0.974935 -0.900339 -0.920918 -0.978771 -0.706949 -0.874756 -0.803605 -0.884471 -0.876770 -0.941171 -0.867658 -0.956547 -0.788750 -0.795394 -0.870370 -0.896953 -0.950067 -0.664410 -0.646954 -0.670507 -0.672715 -0.667622 -0.664911 -0.636092 -0.651556 -0.671643 -0.671123 -0.670632 0.458459 0.347300 0.336708 0.94328674 -0.68895472 0.78366480 1.40661971 -19.93235372 6.68740722 -0.41112394 11.21332605 10.17590477 8.71902767 -358.1024 409.5565 -116.0781 -361.5448 -18.7105 -444.8793 Jun10-2024 18:14:14 Nodes: 1 Procs: 1 Jun10-2024 18:14:16 Nodes: 1 Procs: 1 0 Jun10-2024 18:14:18 Nodes: 1 Procs: 1 Jun10-2024 18:14:20 Nodes: 1 Procs: 1 Arsenic (TZP, 3p frozen) 0 Jun10-2024 18:14:23 Nodes: 1 Procs: 1 Jun10-2024 18:14:25 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 18:14:27 Nodes: 1 Procs: 1 Jun10-2024 18:14:29 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 18:14:31 Nodes: 1 Procs: 1 Jun10-2024 18:14:33 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 18:14:38 Nodes: 1 Procs: 5 *** (NO TITLE) *** -4 -15.78628296 -16.17110454 -15.76863490 -16.16846402 -16.29787202 -16.32153118 -16.33231385 -16.33341238 -16.33554918 -16.33648076 -16.33654555 -16.33982159 -16.34147000 -16.34109279 -16.34409951 -16.34452979 -16.34607792 -16.34693471 -16.34767337 -16.34786952 -16.34804937 -16.34813276 -16.34828744 -16.34836554 -16.34849812 -16.34857775 -16.34868508 -16.34873898 -16.34880138 -16.34885796 -16.34888311 -16.34892894 -16.34895660 -16.34898196 -16.34899993 -16.34900770 -16.34901393 GEOMETRY CONVERGED