ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:50:41 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.46 0.09 3.63 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 18:50:41 Nodes: 1 Procs: 1 Jun10-2024 18:50:45 Nodes: 1 Procs: 1 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:50:49 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 1.61 0.05 2.51 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 18:50:41 Nodes: 1 Procs: 1 Jun10-2024 18:50:45 Nodes: 1 Procs: 1 0 Jun10-2024 18:50:49 Nodes: 1 Procs: 1 Jun10-2024 18:50:52 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:50:55 Arsenic (TZP, 3p frozen) DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 0.99 0.06 1.68 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 18:50:41 Nodes: 1 Procs: 1 Jun10-2024 18:50:45 Nodes: 1 Procs: 1 0 Jun10-2024 18:50:49 Nodes: 1 Procs: 1 Jun10-2024 18:50:52 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 18:50:55 Nodes: 1 Procs: 1 Jun10-2024 18:50:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:50:59 Arsenic (TZP, 3p frozen) c2-43 c2-43 c2-43 c2-43 c2-43 DFT PBEc PBEx PW92 == Not Default == Restricted Point Charge Nuclei Frozen Orbital(s) 2.57 0.21 3.55 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 18:50:41 Nodes: 1 Procs: 1 Jun10-2024 18:50:45 Nodes: 1 Procs: 1 0 Jun10-2024 18:50:49 Nodes: 1 Procs: 1 Jun10-2024 18:50:52 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 18:50:55 Nodes: 1 Procs: 1 Jun10-2024 18:50:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 18:50:59 Nodes: 1 Procs: 1 Jun10-2024 18:51:02 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 ADF 2019 304 2020-05-08 x86_64_linux_intel / intelmpi Jun10-2024 18:51:08 Arsenic (TZP, 3p frozen) GEOMETRY OPTIMIZATION DFT PBEc PBEx TZP TZP TZP TZP 2393.577600000001 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PW92 == Not Default == Restricted Restricted Point Charge Nuclei Frozen Orbital(s) 3 1 1.93000 78.39000 conjugate-gradient 1000 1.0E-08 0.00000 t21.W ADF 2019.304 Jun10-2024 18:51:02 1 1 Tungsten TZP 4d t21.Mo ADF 2019.304 Jun10-2024 18:50:52 1 1 Molybdenum TZP 3d t21.O ADF 2019.304 Jun10-2024 18:50:57 1 1 Oxygen TZP 1s t21.As ADF 2019.304 Jun10-2024 18:50:45 1 1 Arsenic TZP 3p 1 1 -16.47184994 0.17496002 0.00100000 F 0.04745708 0.00066667 F 0.17496002 0.04745708 0.06186817 0.01000000 F 0.02107091 0.00666667 F Cartesian 2393.577600000001 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-0.977599 -0.975121 Rho 0.3190165E+03 3,-3 15 3 -3 0.991747 0.976099 -0.968935 Rho 0.3190294E+03 3,-3 16 3 -3 -0.975241 0.988538 0.973242 Rho 0.3190163E+03 3,-3 17 3 -3 -2.998532 -1.172964 1.140255 Rho 0.3189443E+03 3,-3 18 3 -3 3.024925 -1.170283 -1.140731 Rho 0.3190343E+03 3,-3 19 3 -3 -3.013116 1.165885 -1.137461 Rho 0.3189594E+03 3,-3 20 3 -3 2.996330 1.170796 1.133845 Rho 0.3189562E+03 3,-3 21 3 -3 1.159659 -1.131566 -2.998903 Rho 0.3189440E+03 3,-3 22 3 -3 1.154374 1.134581 3.005707 Rho 0.3189425E+03 3,-3 23 3 -3 -1.179698 1.150885 -3.014556 Rho 0.3190192E+03 3,-3 24 3 -3 -1.169178 -1.146602 3.012820 Rho 0.3189427E+03 3,-3 25 3 -3 -1.147039 3.000589 -1.162426 Rho 0.3189488E+03 3,-3 26 3 -3 -1.124343 -3.001848 1.159422 Rho 0.3188793E+03 3,-3 27 3 -3 1.133259 3.003170 1.170848 Rho 0.3188761E+03 3,-3 28 3 -3 1.152799 -2.998107 -1.177346 Rho 0.3189607E+03 3,-3 29 3 -3 3.423857 -1.534131 1.497710 Rho 0.3191234E+03 3,-3 30 3 -3 -3.414018 -1.538741 -1.502148 Rho 0.3190576E+03 3,-3 31 3 -3 3.416190 1.547362 -1.504651 Rho 0.3190596E+03 3,-3 32 3 -3 -3.421702 1.524818 1.496260 Rho 0.3190670E+03 3,-3 33 3 -3 1.539209 -1.511645 3.415282 Rho 0.3190514E+03 3,-3 34 3 -3 1.535003 1.510708 -3.418377 Rho 0.3191314E+03 3,-3 35 3 -3 -1.537843 1.497088 3.423328 Rho 0.3190457E+03 3,-3 36 3 -3 -1.532924 -1.494524 -3.421691 Rho 0.3190463E+03 3,-3 37 3 -3 -1.490167 -3.405881 -1.531079 Rho 0.3189873E+03 3,-3 38 3 -3 -1.510841 3.406303 1.545497 Rho 0.3189872E+03 3,-3 39 3 -3 1.509291 -3.425394 1.541927 Rho 0.3190744E+03 3,-3 40 3 -3 1.493862 3.424374 -1.525933 Rho 0.3190496E+03 3,-3 41 3 -3 -0.210956 -3.695353 3.798549 Rho 0.3193999E+03 3,-3 42 3 -3 0.202878 -3.688759 -3.803743 Rho 0.3194015E+03 3,-3 43 3 -3 -0.207029 3.700555 -3.816175 Rho 0.3195469E+03 3,-3 44 3 -3 0.210080 3.691831 3.802897 Rho 0.3193999E+03 3,-3 45 3 -3 3.703206 -3.819810 -0.202891 Rho 0.3195524E+03 3,-3 46 3 -3 3.690420 3.802539 0.202800 Rho 0.3194015E+03 3,-3 47 3 -3 -3.696473 3.798639 -0.208871 Rho 0.3193984E+03 3,-3 48 3 -3 -3.693896 -3.791495 0.212482 Rho 0.3194022E+03 3,-3 49 3 -3 -3.815000 0.215174 -3.704023 Rho 0.3195516E+03 3,-3 50 3 -3 -3.813695 -0.207046 3.707486 Rho 0.3195513E+03 3,-3 51 3 -3 3.806396 0.216023 3.693767 Rho 0.3195488E+03 3,-3 52 3 -3 3.805886 -0.221522 -3.696718 Rho 0.3195477E+03 3,-3 53 3 -3 0.008364 0.000260 0.004569 Rho 0.4276078E+05 3,-3 54 3 +1 0.535071 1.664822 0.534760 Rho 0.9080001E-02 |GRAD(Rho)| 0.7713062E-17 GRAD(Rho)x -0.6525026E-17 GRAD(Rho)y 0.3955439E-17 GRAD(Rho)z 0.1126885E-17 Laplacian 0.3535670E-01 (-1/4)Del**2(Rho)) -0.8839174E-02 Diamond 0.1003968E-02 Metallicity 0.7702256E+00 Ellipticity -0.1453464E+01 Gb(Abramov) 0.7027476E-02 Vb(Abramov) -0.5215777E-02 Hb(Abramov) 0.1811698E-02 Ex_ueg -0.1399049E-02 Ec_ueg -0.3265075E-03 Delta_ex -0.1631384E-02 Delta_ec 0.4863420E-03 Delta_et -0.3379717E-02 Pxc 0.4284891E+01 Qxc -0.3354397E+01 3,+1 55 3 -1 -1.761695 -0.531469 -1.714304 Rho 0.4201532E-01 |GRAD(Rho)| 0.3021781E-16 GRAD(Rho)x -0.6323524E-17 GRAD(Rho)y 0.2082928E-16 GRAD(Rho)z -0.2095877E-16 Laplacian 0.1773402E+00 (-1/4)Del**2(Rho)) -0.4433505E-01 Diamond 0.7246027E-01 Metallicity 0.1973113E+01 Ellipticity 0.1034768E-01 Gb(Abramov) 0.4413638E-01 Vb(Abramov) -0.4393771E-01 Hb(Abramov) 0.1986696E-03 Ex_ueg -0.1078769E-01 Ec_ueg -0.1978513E-02 Delta_ex -0.1405696E-01 Delta_ec 0.5436048E-02 Delta_et -0.5476493E-01 Pxc 0.5452425E+01 Qxc -0.2585879E+01 3,-1 56 3 +1 -2.169929 -1.108107 -1.343343 Rho 0.2788534E-01 |GRAD(Rho)| 0.1065815E-15 GRAD(Rho)x -0.4140877E-16 GRAD(Rho)y 0.4721387E-16 GRAD(Rho)z -0.8611498E-16 Laplacian 0.1130487E+00 (-1/4)Del**2(Rho)) -0.2826216E-01 Diamond 0.1775728E-01 Metallicity 0.1563055E+01 Ellipticity -0.4607751E+01 Gb(Abramov) 0.2620400E-01 Vb(Abramov) -0.2414583E-01 Hb(Abramov) 0.2058166E-02 Ex_ueg -0.6245296E-02 Ec_ueg -0.1235056E-02 Delta_ex -0.7293561E-02 Delta_ec 0.2014166E-02 Delta_et -0.1824201E-01 Pxc 0.5056692E+01 Qxc -0.3621132E+01 3,+1 57 3 -1 1.706413 1.748784 -0.533854 Rho 0.4959346E-01 |GRAD(Rho)| 0.7429206E-16 GRAD(Rho)x 0.5929612E-16 GRAD(Rho)y 0.4462762E-16 GRAD(Rho)z -0.3413966E-17 Laplacian 0.2028107E+00 (-1/4)Del**2(Rho)) -0.5070269E-01 Diamond 0.1008902E+00 Metallicity 0.2274554E+01 Ellipticity 0.1316092E-01 Gb(Abramov) 0.5302279E-01 Vb(Abramov) -0.5534290E-01 Hb(Abramov) -0.2320106E-02 Ex_ueg -0.1345708E-01 Ec_ueg -0.2392414E-02 Delta_ex -0.1662536E-01 Delta_ec 0.5982228E-02 Delta_et -0.6293003E-01 Pxc 0.5624897E+01 Qxc -0.2779126E+01 3,-1 58 3 -1 -1.702393 -1.741433 -0.528320 Rho 0.4820355E-01 |GRAD(Rho)| 0.2842064E-14 GRAD(Rho)x 0.1539508E-14 GRAD(Rho)y 0.1741496E-14 GRAD(Rho)z -0.1635369E-14 Laplacian 0.1961353E+00 (-1/4)Del**2(Rho)) -0.4903384E-01 Diamond 0.9360132E-01 Metallicity 0.2243136E+01 Ellipticity 0.1379156E-01 Gb(Abramov) 0.5102082E-01 Vb(Abramov) -0.5300780E-01 Hb(Abramov) -0.1986983E-02 Ex_ueg -0.1295658E-01 Ec_ueg -0.2315816E-02 Delta_ex -0.1595126E-01 Delta_ec 0.5764827E-02 Delta_et -0.6018878E-01 Pxc 0.5594823E+01 Qxc -0.2766997E+01 3,-1 59 3 +1 -2.900377 0.169063 0.173689 Rho 0.5284489E-02 |GRAD(Rho)| 0.3268664E-17 GRAD(Rho)x -0.4491998E-18 GRAD(Rho)y 0.2817623E-17 GRAD(Rho)z -0.1594799E-17 Laplacian 0.2189421E-01 (-1/4)Del**2(Rho)) -0.5473552E-02 Diamond 0.5264704E-03 Metallicity 0.5046096E+00 Ellipticity -0.2532397E+01 Gb(Abramov) 0.4109369E-02 Vb(Abramov) -0.2745186E-02 Hb(Abramov) 0.1364183E-02 Ex_ueg -0.6798123E-03 Ec_ueg -0.1591760E-03 Delta_ex -0.1079986E-02 Delta_ec 0.6531796E-03 Delta_et -0.3621285E-02 Pxc 0.4270822E+01 Qxc -0.1653430E+01 3,+1 60 3 +3 -1.105287 1.097550 -1.129277 Rho 0.5083534E-02 |GRAD(Rho)| 0.3738274E-17 GRAD(Rho)x -0.2473897E-17 GRAD(Rho)y 0.2661063E-17 GRAD(Rho)z -0.8793575E-18 Laplacian 0.1972186E-01 (-1/4)Del**2(Rho)) -0.4930466E-02 Diamond 0.1416617E-03 Metallicity 0.5251395E+00 Ellipticity -0.8118624E-01 Gb(Abramov) 0.3718508E-02 Vb(Abramov) -0.2506549E-02 Hb(Abramov) 0.1211958E-02 Ex_ueg -0.6455640E-03 Ec_ueg -0.1505094E-03 Delta_ex -0.6852240E-03 Delta_ec 0.8813367E-04 Delta_et -0.6960752E-03 Pxc 0.4289195E+01 Qxc -0.7774826E+01 3,+3 61 3 +1 -1.667591 0.527929 -0.536995 Rho 0.8646736E-02 |GRAD(Rho)| 0.1003958E-11 GRAD(Rho)x 0.7320385E-13 GRAD(Rho)y 0.5480676E-12 GRAD(Rho)z 0.8379707E-12 Laplacian 0.3376731E-01 (-1/4)Del**2(Rho)) -0.8441828E-02 Diamond 0.9172163E-03 Metallicity 0.7433676E+00 Ellipticity -0.1455193E+01 Gb(Abramov) 0.6673783E-02 Vb(Abramov) -0.4905737E-02 Hb(Abramov) 0.1768046E-02 Ex_ueg -0.1310754E-02 Ec_ueg -0.3070717E-03 Delta_ex -0.1547810E-02 Delta_ec 0.4806399E-03 Delta_et -0.3285290E-02 Pxc 0.4268561E+01 Qxc -0.3220310E+01 3,+1 62 3 +1 -0.557588 -0.511167 1.672934 Rho 0.8729425E-02 |GRAD(Rho)| 0.3061164E-17 GRAD(Rho)x -0.1143633E-17 GRAD(Rho)y -0.2837744E-17 GRAD(Rho)z -0.1001815E-18 Laplacian 0.3390245E-01 (-1/4)Del**2(Rho)) -0.8475613E-02 Diamond 0.9327164E-03 Metallicity 0.7522430E+00 Ellipticity -0.1465336E+01 Gb(Abramov) 0.6713028E-02 Vb(Abramov) -0.4950444E-02 Hb(Abramov) 0.1762584E-02 Ex_ueg -0.1327494E-02 Ec_ueg -0.3107747E-03 Delta_ex -0.1557663E-02 Delta_ec 0.4824110E-03 Delta_et -0.3305615E-02 Pxc 0.4271565E+01 Qxc -0.3228913E+01 3,+1 63 3 -1 -1.953507 -3.001020 -0.861921 Rho 0.1447450E+00 |GRAD(Rho)| 0.1239679E-15 GRAD(Rho)x -0.6339872E-16 GRAD(Rho)y 0.9849977E-16 GRAD(Rho)z 0.4057627E-16 Laplacian 0.5708607E+00 (-1/4)Del**2(Rho)) -0.1427152E+00 Diamond 0.1111769E+01 Metallicity 0.4816768E+01 Ellipticity 0.4032275E-01 Gb(Abramov) 0.2097144E+00 Vb(Abramov) -0.2767137E+00 Hb(Abramov) -0.6699925E-01 Ex_ueg -0.5612933E-01 Ec_ueg -0.8107972E-02 Delta_ex -0.6080705E-01 Delta_ec 0.1467617E-01 Delta_et -0.1945208E+00 Pxc 0.6922734E+01 Qxc -0.4143251E+01 3,-1 64 3 -1 -3.017105 -0.861577 -1.969626 Rho 0.1385143E+00 |GRAD(Rho)| 0.1634525E-13 GRAD(Rho)x 0.5955401E-14 GRAD(Rho)y -0.7955035E-14 GRAD(Rho)z 0.1297759E-13 Laplacian 0.5428604E+00 (-1/4)Del**2(Rho)) -0.1357151E+00 Diamond 0.9909550E+00 Metallicity 0.4707055E+01 Ellipticity 0.5587491E-01 Gb(Abramov) 0.1969465E+00 Vb(Abramov) -0.2581778E+00 Hb(Abramov) -0.6123137E-01 Ex_ueg -0.5293112E-01 Ec_ueg -0.7712367E-02 Delta_ex -0.5707647E-01 Delta_ec 0.1387245E-01 Delta_et -0.1821815E+00 Pxc 0.6863149E+01 Qxc -0.4114376E+01 3,-1 65 3 +1 -1.409844 -1.051373 -2.163338 Rho 0.2744965E-01 |GRAD(Rho)| 0.6860442E-15 GRAD(Rho)x -0.5120786E-15 GRAD(Rho)y 0.3426914E-15 GRAD(Rho)z -0.3016533E-15 Laplacian 0.1097707E+00 (-1/4)Del**2(Rho)) -0.2744268E-01 Diamond 0.1570574E-01 Metallicity 0.1568031E+01 Ellipticity -0.3160427E+01 Gb(Abramov) 0.2546695E-01 Vb(Abramov) -0.2349122E-01 Hb(Abramov) 0.1975729E-02 Ex_ueg -0.6115532E-02 Ec_ueg -0.1212824E-02 Delta_ex -0.6940494E-02 Delta_ec 0.1755997E-02 Delta_et -0.1587354E-01 Pxc 0.5042390E+01 Qxc -0.3952451E+01 3,+1 66 3 +3 -1.117599 -1.088147 1.124235 Rho 0.5235567E-02 |GRAD(Rho)| 0.4772616E-14 GRAD(Rho)x 0.6056155E-15 GRAD(Rho)y 0.3262327E-14 GRAD(Rho)z -0.3430498E-14 Laplacian 0.2037264E-01 (-1/4)Del**2(Rho)) -0.5093160E-02 Diamond 0.1504565E-03 Metallicity 0.5339559E+00 Ellipticity -0.1042676E+00 Gb(Abramov) 0.3848694E-02 Vb(Abramov) -0.2604227E-02 Hb(Abramov) 0.1244466E-02 Ex_ueg -0.6714340E-03 Ec_ueg -0.1570642E-03 Delta_ex -0.7119870E-03 Delta_ec 0.8806235E-04 Delta_et -0.7074742E-03 Pxc 0.4274900E+01 Qxc -0.8085033E+01 3,+3 67 3 +1 -2.895094 -0.166351 -0.164552 Rho 0.5303437E-02 |GRAD(Rho)| 0.3368569E-17 GRAD(Rho)x 0.3190669E-18 GRAD(Rho)y 0.1959491E-17 GRAD(Rho)z -0.2721368E-17 Laplacian 0.2193440E-01 (-1/4)Del**2(Rho)) -0.5483600E-02 Diamond 0.5421782E-03 Metallicity 0.5066988E+00 Ellipticity -0.2889804E+01 Gb(Abramov) 0.4118822E-02 Vb(Abramov) -0.2754044E-02 Hb(Abramov) 0.1364778E-02 Ex_ueg -0.6830644E-03 Ec_ueg -0.1599942E-03 Delta_ex -0.1093206E-02 Delta_ec 0.6730696E-03 Delta_et -0.3727622E-02 Pxc 0.4269306E+01 Qxc -0.1624209E+01 3,+1 68 3 -1 -3.145594 3.248584 -0.066256 Rho 0.2517227E+00 |GRAD(Rho)| 0.1242968E-11 GRAD(Rho)x 0.8668953E-12 GRAD(Rho)y -0.8629040E-12 GRAD(Rho)z 0.2210424E-12 Laplacian 0.9181449E+00 (-1/4)Del**2(Rho)) -0.2295362E+00 Diamond 0.3424415E+01 Metallicity 0.7531922E+01 Ellipticity 0.2519631E-02 Gb(Abramov) 0.4411656E+00 Vb(Abramov) -0.6527950E+00 Hb(Abramov) -0.2116294E+00 Ex_ueg -0.1173856E+00 Ec_ueg -0.1525323E-01 Delta_ex -0.1122513E+00 Delta_ec 0.1986352E-01 Delta_et -0.2748910E+00 Pxc 0.7695787E+01 Qxc -0.5651129E+01 3,-1 69 3 -1 -2.901615 -0.014613 -0.011327 Rho 0.5331897E-02 |GRAD(Rho)| 0.5180071E-17 GRAD(Rho)x -0.4050418E-18 GRAD(Rho)y -0.2799810E-17 GRAD(Rho)z -0.4339370E-17 Laplacian 0.2144608E-01 (-1/4)Del**2(Rho)) -0.5361520E-02 Diamond 0.6339035E-03 Metallicity 0.5228795E+00 Ellipticity 0.2878801E+01 Gb(Abramov) 0.4041584E-02 Vb(Abramov) -0.2721649E-02 Hb(Abramov) 0.1319935E-02 Ex_ueg -0.6879562E-03 Ec_ueg -0.1612235E-03 Delta_ex -0.1155194E-02 Delta_ec 0.8102049E-03 Delta_et -0.4431667E-02 Pxc 0.4267095E+01 Qxc -0.1425805E+01 3,-1 70 3 -1 -3.021128 0.865714 1.969663 Rho 0.1441253E+00 |GRAD(Rho)| 0.5295809E-15 GRAD(Rho)x -0.3255385E-15 GRAD(Rho)y 0.3933079E-15 GRAD(Rho)z -0.1406752E-15 Laplacian 0.5649319E+00 (-1/4)Del**2(Rho)) -0.1412330E+00 Diamond 0.1080803E+01 Metallicity 0.4832637E+01 Ellipticity 0.6214348E-01 Gb(Abramov) 0.2079100E+00 Vb(Abramov) -0.2745869E+00 Hb(Abramov) -0.6667697E-01 Ex_ueg -0.5580916E-01 Ec_ueg -0.8068517E-02 Delta_ex -0.5996787E-01 Delta_ec 0.1428086E-01 Delta_et -0.1886030E+00 Pxc 0.6916904E+01 Qxc -0.4199179E+01 3,-1 71 3 -1 -2.799133 -0.560783 1.791920 Rho 0.1322444E+00 |GRAD(Rho)| 0.3527492E-13 GRAD(Rho)x 0.2393264E-13 GRAD(Rho)y 0.2689391E-14 GRAD(Rho)z 0.2577432E-13 Laplacian 0.5560800E+00 (-1/4)Del**2(Rho)) -0.1390200E+00 Diamond 0.9545746E+00 Metallicity 0.4253744E+01 Ellipticity 0.1458720E-01 Gb(Abramov) 0.1912392E+00 Vb(Abramov) -0.2434585E+00 Hb(Abramov) -0.5221925E-01 Ex_ueg -0.4976089E-01 Ec_ueg -0.7316783E-02 Delta_ex -0.5774622E-01 Delta_ec 0.1425391E-01 Delta_et -0.1856398E+00 Pxc 0.6800924E+01 Qxc -0.4051255E+01 3,-1 72 3 -1 -3.257404 -0.051962 3.158783 Rho 0.2421565E+00 |GRAD(Rho)| 0.1109204E-14 GRAD(Rho)x 0.6786563E-15 GRAD(Rho)y 0.4212396E-15 GRAD(Rho)z -0.7696209E-15 Laplacian 0.8623013E+00 (-1/4)Del**2(Rho)) -0.2155753E+00 Diamond 0.3099031E+01 Metallicity 0.7518209E+01 Ellipticity 0.2826108E-03 Gb(Abramov) 0.4138403E+00 Vb(Abramov) -0.6121052E+00 Hb(Abramov) -0.1982649E+00 Ex_ueg -0.1114756E+00 Ec_ueg -0.1458831E-01 Delta_ex -0.1045131E+00 Delta_ec 0.1915150E-01 Delta_et -0.2660434E+00 Pxc 0.7641433E+01 Qxc -0.5457175E+01 3,-1 73 3 -1 -3.258773 0.066877 -3.153350 Rho 0.2420896E+00 |GRAD(Rho)| 0.1066251E-14 GRAD(Rho)x 0.7944491E-15 GRAD(Rho)y -0.1436703E-15 GRAD(Rho)z 0.6964915E-15 Laplacian 0.8619365E+00 (-1/4)Del**2(Rho)) -0.2154841E+00 Diamond 0.3097074E+01 Metallicity 0.7517927E+01 Ellipticity 0.6423182E-03 Gb(Abramov) 0.4136551E+00 Vb(Abramov) -0.6118260E+00 Hb(Abramov) -0.1981709E+00 Ex_ueg -0.1114346E+00 Ec_ueg -0.1458368E-01 Delta_ex -0.1044634E+00 Delta_ec 0.1914858E-01 Delta_et -0.2660163E+00 Pxc 0.7641045E+01 Qxc -0.5455409E+01 3,-1 74 3 -1 -2.807446 0.569550 -1.786019 Rho 0.1393524E+00 |GRAD(Rho)| 0.2313383E-15 GRAD(Rho)x 0.5323433E-16 GRAD(Rho)y 0.7821163E-16 GRAD(Rho)z -0.2111077E-15 Laplacian 0.5868487E+00 (-1/4)Del**2(Rho)) -0.1467122E+00 Diamond 0.1070338E+01 Metallicity 0.4398226E+01 Ellipticity 0.2008942E-01 Gb(Abramov) 0.2053537E+00 Vb(Abramov) -0.2639952E+00 Hb(Abramov) -0.5864150E-01 Ex_ueg -0.5335857E-01 Ec_ueg -0.7765436E-02 Delta_ex -0.6169661E-01 Delta_ec 0.1480363E-01 Delta_et -0.1942273E+00 Pxc 0.6871291E+01 Qxc -0.4167666E+01 3,-1 75 3 +1 0.542007 -1.669120 -0.529032 Rho 0.8790252E-02 |GRAD(Rho)| 0.1795911E-12 GRAD(Rho)x -0.7030671E-13 GRAD(Rho)y -0.1070945E-12 GRAD(Rho)z 0.1258599E-12 Laplacian 0.3413256E-01 (-1/4)Del**2(Rho)) -0.8533141E-02 Diamond 0.9486594E-03 Metallicity 0.7558689E+00 Ellipticity -0.1469352E+01 Gb(Abramov) 0.6763750E-02 Vb(Abramov) -0.4994359E-02 Hb(Abramov) 0.1769391E-02 Ex_ueg -0.1339842E-02 Ec_ueg -0.3135005E-03 Delta_ex -0.1571293E-02 Delta_ec 0.4862185E-03 Delta_et -0.3337244E-02 Pxc 0.4273810E+01 Qxc -0.3231660E+01 3,+1 76 3 +1 -2.172802 1.133051 1.320801 Rho 0.2797203E-01 |GRAD(Rho)| 0.6980839E-16 GRAD(Rho)x -0.6924283E-16 GRAD(Rho)y -0.3880028E-17 GRAD(Rho)z 0.7974207E-17 Laplacian 0.1140715E+00 (-1/4)Del**2(Rho)) -0.2851788E-01 Diamond 0.1854226E-01 Metallicity 0.1557073E+01 Ellipticity -0.5888456E+01 Gb(Abramov) 0.2641266E-01 Vb(Abramov) -0.2430744E-01 Hb(Abramov) 0.2105222E-02 Ex_ueg -0.6271195E-02 Ec_ueg -0.1239484E-02 Delta_ex -0.7416857E-02 Delta_ec 0.2123805E-02 Delta_et -0.1923674E-01 Pxc 0.5059519E+01 Qxc -0.3492249E+01 3,+1 77 3 +1 -0.529831 -1.663901 0.526261 Rho 0.9163925E-02 |GRAD(Rho)| 0.8334083E-12 GRAD(Rho)x 0.5429142E-12 GRAD(Rho)y -0.4456177E-13 GRAD(Rho)z 0.6307359E-12 Laplacian 0.3582221E-01 (-1/4)Del**2(Rho)) -0.8955552E-02 Diamond 0.1026783E-02 Metallicity 0.7719634E+00 Ellipticity -0.1449504E+01 Gb(Abramov) 0.7122594E-02 Vb(Abramov) -0.5289637E-02 Hb(Abramov) 0.1832958E-02 Ex_ueg -0.1416317E-02 Ec_ueg -0.3302817E-03 Delta_ex -0.1655406E-02 Delta_ec 0.4903403E-03 Delta_et -0.3417449E-02 Pxc 0.4288208E+01 Qxc -0.3376034E+01 3,+1 78 3 -1 -3.148949 -3.236708 0.068012 Rho 0.2523088E+00 |GRAD(Rho)| 0.1330549E-13 GRAD(Rho)x -0.9713476E-14 GRAD(Rho)y 0.4619785E-15 GRAD(Rho)z 0.9081359E-14 Laplacian 0.9193833E+00 (-1/4)Del**2(Rho)) -0.2298458E+00 Diamond 0.3438610E+01 Metallicity 0.7550989E+01 Ellipticity 0.1300948E-02 Gb(Abramov) 0.4424911E+00 Vb(Abramov) -0.6551364E+00 Hb(Abramov) -0.2126453E+00 Ex_ueg -0.1177502E+00 Ec_ueg -0.1529413E-01 Delta_ex -0.1124713E+00 Delta_ec 0.1987586E-01 Delta_et -0.2750710E+00 Pxc 0.7699043E+01 Qxc -0.5658690E+01 3,-1 79 3 +1 -0.532562 0.540965 -1.672113 Rho 0.8379821E-02 |GRAD(Rho)| 0.1788619E-15 GRAD(Rho)x -0.1122314E-15 GRAD(Rho)y -0.1351016E-15 GRAD(Rho)z 0.3381229E-16 Laplacian 0.3236419E-01 (-1/4)Del**2(Rho)) -0.8091048E-02 Diamond 0.8567510E-03 Metallicity 0.7361047E+00 Ellipticity -0.1474557E+01 Gb(Abramov) 0.6386675E-02 Vb(Abramov) -0.4682302E-02 Hb(Abramov) 0.1704373E-02 Ex_ueg -0.1257085E-02 Ec_ueg -0.2951395E-03 Delta_ex -0.1478522E-02 Delta_ec 0.4726702E-03 Delta_et -0.3195062E-02 Pxc 0.4259292E+01 Qxc -0.3128020E+01 3,+1 80 3 +3 -2.320659 0.005820 0.005345 Rho 0.4621481E-02 |GRAD(Rho)| 0.4677260E-16 GRAD(Rho)x 0.3367971E-16 GRAD(Rho)y -0.1922756E-16 GRAD(Rho)z -0.2614677E-16 Laplacian 0.1892580E-01 (-1/4)Del**2(Rho)) -0.4731451E-02 Diamond 0.1713828E-03 Metallicity 0.4668681E+00 Ellipticity -0.3092083E+00 Gb(Abramov) 0.3522461E-02 Vb(Abramov) -0.2313471E-02 Hb(Abramov) 0.1208990E-02 Ex_ueg -0.5685386E-03 Ec_ueg -0.1306601E-03 Delta_ex -0.6941448E-03 Delta_ec 0.1804427E-03 Delta_et -0.1126363E-02 Pxc 0.4351279E+01 Qxc -0.3846899E+01 3,+3 81 3 -1 -2.969475 -2.015390 -0.843712 Rho 0.1341001E+00 |GRAD(Rho)| 0.2798436E-15 GRAD(Rho)x -0.2010179E-15 GRAD(Rho)y 0.1566130E-15 GRAD(Rho)z 0.1156573E-15 Laplacian 0.5266940E+00 (-1/4)Del**2(Rho)) -0.1316735E+00 Diamond 0.9386694E+00 Metallicity 0.4596597E+01 Ellipticity 0.2856423E-01 Gb(Abramov) 0.1886573E+00 Vb(Abramov) -0.2456412E+00 Hb(Abramov) -0.5698383E-01 Ex_ueg -0.5069405E-01 Ec_ueg -0.7433595E-02 Delta_ex -0.5510304E-01 Delta_ec 0.1385314E-01 Delta_et -0.1816019E+00 Pxc 0.6819587E+01 Qxc -0.3977657E+01 3,-1 82 3 -1 -2.751667 -1.827621 0.558718 Rho 0.1394521E+00 |GRAD(Rho)| 0.1636145E-12 GRAD(Rho)x 0.2373077E-13 GRAD(Rho)y -0.1278005E-12 GRAD(Rho)z -0.9936586E-13 Laplacian 0.5847756E+00 (-1/4)Del**2(Rho)) -0.1461939E+00 Diamond 0.1087074E+01 Metallicity 0.4419088E+01 Ellipticity 0.9756105E-02 Gb(Abramov) 0.2051365E+00 Vb(Abramov) -0.2640792E+00 Hb(Abramov) -0.5894264E-01 Ex_ueg -0.5340952E-01 Ec_ueg -0.7771757E-02 Delta_ex -0.6170459E-01 Delta_ec 0.1513291E-01 Delta_et -0.1993834E+00 Pxc 0.6872258E+01 Qxc -0.4077510E+01 3,-1 83 3 +1 -1.659979 -0.522407 0.545623 Rho 0.8737551E-02 |GRAD(Rho)| 0.5296349E-14 GRAD(Rho)x 0.1074386E-14 GRAD(Rho)y -0.3182053E-14 GRAD(Rho)z -0.4095308E-14 Laplacian 0.3394634E-01 (-1/4)Del**2(Rho)) -0.8486585E-02 Diamond 0.9361532E-03 Metallicity 0.7524362E+00 Ellipticity -0.1466584E+01 Gb(Abramov) 0.6721993E-02 Vb(Abramov) -0.4957400E-02 Hb(Abramov) 0.1764593E-02 Ex_ueg -0.1329142E-02 Ec_ueg -0.3111387E-03 Delta_ex -0.1560508E-02 Delta_ec 0.4838580E-03 Delta_et -0.3315668E-02 Pxc 0.4271863E+01 Qxc -0.3225135E+01 3,+1 84 3 +1 -1.740554 -1.739545 1.748229 Rho 0.1217440E-01 |GRAD(Rho)| 0.8327003E-17 GRAD(Rho)x 0.6184109E-17 GRAD(Rho)y -0.1257203E-17 GRAD(Rho)z 0.5432791E-17 Laplacian 0.6132853E-01 (-1/4)Del**2(Rho)) -0.1533213E-01 Diamond 0.2503103E-02 Metallicity 0.7239299E+00 Ellipticity -0.1251894E+01 Gb(Abramov) 0.1207132E-01 Vb(Abramov) -0.8810508E-02 Hb(Abramov) 0.3260813E-02 Ex_ueg -0.2068466E-02 Ec_ueg -0.4676259E-03 Delta_ex -0.3025089E-02 Delta_ec 0.7942933E-03 Delta_et -0.5978252E-02 Pxc 0.4423336E+01 Qxc -0.3808529E+01 3,+1 85 3 +1 -1.158718 2.172836 1.302867 Rho 0.2955874E-01 |GRAD(Rho)| 0.8868560E-16 GRAD(Rho)x 0.1622847E-16 GRAD(Rho)y -0.8445608E-16 GRAD(Rho)z -0.2165510E-16 Laplacian 0.1210039E+00 (-1/4)Del**2(Rho)) -0.3025098E-01 Diamond 0.2123738E-01 Metallicity 0.1609250E+01 Ellipticity -0.7028379E+01 Gb(Abramov) 0.2828089E-01 Vb(Abramov) -0.2631079E-01 Hb(Abramov) 0.1970094E-02 Ex_ueg -0.6749936E-02 Ec_ueg -0.1320869E-02 Delta_ex -0.7985293E-02 Delta_ec 0.2255600E-02 Delta_et -0.2071049E-01 Pxc 0.5110223E+01 Qxc -0.3540208E+01 3,+1 86 3 +1 0.176603 -0.180894 2.896579 Rho 0.5442125E-02 |GRAD(Rho)| 0.3805532E-15 GRAD(Rho)x 0.2303126E-15 GRAD(Rho)y -0.3025278E-15 GRAD(Rho)z 0.1593072E-16 Laplacian 0.2236919E-01 (-1/4)Del**2(Rho)) -0.5592299E-02 Diamond 0.5508711E-03 Metallicity 0.5186930E+00 Ellipticity -0.2580741E+01 Gb(Abramov) 0.4211647E-02 Vb(Abramov) -0.2830995E-02 Hb(Abramov) 0.1380652E-02 Ex_ueg -0.7069843E-03 Ec_ueg -0.1659886E-03 Delta_ex -0.1102646E-02 Delta_ec 0.6544392E-03 Delta_et -0.3665660E-02 Pxc 0.4259234E+01 Qxc -0.1684872E+01 3,+1 87 3 -1 -2.032195 -0.834067 -2.973676 Rho 0.1220882E+00 |GRAD(Rho)| 0.6296017E-13 GRAD(Rho)x 0.5118871E-13 GRAD(Rho)y -0.2907631E-13 GRAD(Rho)z 0.2232189E-13 Laplacian 0.4764152E+00 (-1/4)Del**2(Rho)) -0.1191038E+00 Diamond 0.7484083E+00 Metallicity 0.4345937E+01 Ellipticity 0.3601529E-01 Gb(Abramov) 0.1656721E+00 Vb(Abramov) -0.2122405E+00 Hb(Abramov) -0.4656834E-01 Ex_ueg -0.4473181E-01 Ec_ueg -0.6681507E-02 Delta_ex -0.4859988E-01 Delta_ec 0.1257594E-01 Delta_et -0.1619074E+00 Pxc 0.6694869E+01 Qxc -0.3864512E+01 3,-1 88 3 -1 -1.850361 -0.542918 2.765383 Rho 0.1169395E+00 |GRAD(Rho)| 0.1249660E-15 GRAD(Rho)x -0.9746300E-16 GRAD(Rho)y 0.2851452E-16 GRAD(Rho)z -0.7283128E-16 Laplacian 0.4891960E+00 (-1/4)Del**2(Rho)) -0.1222990E+00 Diamond 0.7282723E+00 Metallicity 0.3939115E+01 Ellipticity 0.5127979E-02 Gb(Abramov) 0.1618243E+00 Vb(Abramov) -0.2013496E+00 Hb(Abramov) -0.3952531E-01 Ex_ueg -0.4223441E-01 Ec_ueg -0.6362147E-02 Delta_ex -0.4937307E-01 Delta_ec 0.1300937E-01 Delta_et -0.1661888E+00 Pxc 0.6638390E+01 Qxc -0.3795192E+01 3,-1 89 3 -1 -1.855183 0.556317 -2.762620 Rho 0.1219669E+00 |GRAD(Rho)| 0.2141057E-15 GRAD(Rho)x -0.7591448E-16 GRAD(Rho)y -0.1375243E-15 GRAD(Rho)z 0.1454830E-15 Laplacian 0.5074899E+00 (-1/4)Del**2(Rho)) -0.1268725E+00 Diamond 0.7943438E+00 Metallicity 0.4073073E+01 Ellipticity 0.4063880E-02 Gb(Abramov) 0.1707085E+00 Vb(Abramov) -0.2145445E+00 Hb(Abramov) -0.4383599E-01 Ex_ueg -0.4467257E-01 Ec_ueg -0.6673962E-02 Delta_ex -0.5173223E-01 Delta_ec 0.1335417E-01 Delta_et -0.1718205E+00 Pxc 0.6693560E+01 Qxc -0.3873862E+01 3,-1 90 3 +1 -1.396212 1.074224 2.163842 Rho 0.2755917E-01 |GRAD(Rho)| 0.6756319E-16 GRAD(Rho)x -0.3530757E-16 GRAD(Rho)y 0.1244207E-16 GRAD(Rho)z 0.5624372E-16 Laplacian 0.1105595E+00 (-1/4)Del**2(Rho)) -0.2763987E-01 Diamond 0.1628746E-01 Metallicity 0.1567211E+01 Ellipticity -0.3506016E+01 Gb(Abramov) 0.2564617E-01 Vb(Abramov) -0.2365246E-01 Hb(Abramov) 0.1993705E-02 Ex_ueg -0.6148087E-02 Ec_ueg -0.1218408E-02 Delta_ex -0.7034320E-02 Delta_ec 0.1833617E-02 Delta_et -0.1657973E-01 Pxc 0.5046000E+01 Qxc -0.3836309E+01 3,+1 91 3 +1 0.542976 -0.522047 -1.656948 Rho 0.8913362E-02 |GRAD(Rho)| 0.1653853E-16 GRAD(Rho)x 0.1249241E-16 GRAD(Rho)y 0.1080136E-16 GRAD(Rho)z -0.8906287E-18 Laplacian 0.3466858E-01 (-1/4)Del**2(Rho)) -0.8667145E-02 Diamond 0.9775303E-03 Metallicity 0.7616340E+00 Ellipticity -0.1468172E+01 Gb(Abramov) 0.6878295E-02 Vb(Abramov) -0.5089446E-02 Hb(Abramov) 0.1788850E-02 Ex_ueg -0.1364920E-02 Ec_ueg -0.3190225E-03 Delta_ex -0.1599680E-02 Delta_ec 0.4904259E-03 Delta_et -0.3380917E-02 Pxc 0.4278444E+01 Qxc -0.3261818E+01 3,+1 92 3 +1 -0.163153 -0.138131 -2.899170 Rho 0.5297160E-02 |GRAD(Rho)| 0.1537112E-12 GRAD(Rho)x -0.1355570E-12 GRAD(Rho)y 0.7235920E-13 GRAD(Rho)z 0.3944835E-14 Laplacian 0.2166313E-01 (-1/4)Del**2(Rho)) -0.5415782E-02 Diamond 0.5433526E-03 Metallicity 0.5120321E+00 Ellipticity -0.3412466E+01 Gb(Abramov) 0.4072697E-02 Vb(Abramov) -0.2729612E-02 Hb(Abramov) 0.1343085E-02 Ex_ueg -0.6819866E-03 Ec_ueg -0.1597231E-03 Delta_ex -0.1086942E-02 Delta_ec 0.6781496E-03 Delta_et -0.3748902E-02 Pxc 0.4269805E+01 Qxc -0.1602806E+01 3,+1 93 3 +1 -1.750492 1.741152 -1.752931 Rho 0.1201246E-01 |GRAD(Rho)| 0.6943478E-16 GRAD(Rho)x 0.3159481E-16 GRAD(Rho)y -0.2326202E-16 GRAD(Rho)z -0.5728730E-16 Laplacian 0.6042327E-01 (-1/4)Del**2(Rho)) -0.1510582E-01 Diamond 0.2429677E-02 Metallicity 0.7185587E+00 Ellipticity -0.1250127E+01 Gb(Abramov) 0.1187961E-01 Vb(Abramov) -0.8653410E-02 Hb(Abramov) 0.3226203E-02 Ex_ueg -0.2031863E-02 Ec_ueg -0.4601442E-03 Delta_ex -0.2972343E-02 Delta_ec 0.7868995E-03 Delta_et -0.5899931E-02 Pxc 0.4415708E+01 Qxc -0.3777284E+01 3,+1 94 3 -1 -2.033201 0.846636 2.979393 Rho 0.1284262E+00 |GRAD(Rho)| 0.3304722E-15 GRAD(Rho)x -0.1736485E-15 GRAD(Rho)y -0.2312468E-15 GRAD(Rho)z -0.1599469E-15 Laplacian 0.5010287E+00 (-1/4)Del**2(Rho)) -0.1252572E+00 Diamond 0.8367910E+00 Metallicity 0.4496142E+01 Ellipticity 0.4120464E-01 Gb(Abramov) 0.1773671E+00 Vb(Abramov) -0.2294771E+00 Hb(Abramov) -0.5210995E-01 Ex_ueg -0.4785456E-01 Ec_ueg -0.7077143E-02 Delta_ex -0.5174072E-01 Delta_ec 0.1307538E-01 Delta_et -0.1697709E+00 Pxc 0.6761847E+01 Qxc -0.3957110E+01 3,-1 95 3 +3 0.017110 2.329185 -0.022783 Rho 0.4765433E-02 |GRAD(Rho)| 0.1505200E-12 GRAD(Rho)x -0.1407339E-12 GRAD(Rho)y 0.3858560E-13 GRAD(Rho)z 0.3689721E-13 Laplacian 0.1944431E-01 (-1/4)Del**2(Rho)) -0.4861077E-02 Diamond 0.1829259E-03 Metallicity 0.4782532E+00 Ellipticity -0.3226482E+00 Gb(Abramov) 0.3628189E-02 Vb(Abramov) -0.2395301E-02 Hb(Abramov) 0.1232888E-02 Ex_ueg -0.5922724E-03 Ec_ueg -0.1368324E-03 Delta_ex -0.7181273E-03 Delta_ec 0.1842582E-03 Delta_et -0.1160253E-02 Pxc 0.4328451E+01 Qxc -0.3897396E+01 3,+3 96 3 -1 -1.765951 -2.788794 0.571421 Rho 0.1482177E+00 |GRAD(Rho)| 0.3284011E-09 GRAD(Rho)x -0.2368779E-09 GRAD(Rho)y 0.6940916E-10 GRAD(Rho)z -0.2166069E-09 Laplacian 0.6248864E+00 (-1/4)Del**2(Rho)) -0.1562216E+00 Diamond 0.1245108E+01 Metallicity 0.4577680E+01 Ellipticity 0.1108933E-01 Gb(Abramov) 0.2233365E+00 Vb(Abramov) -0.2904514E+00 Hb(Abramov) -0.6711490E-01 Ex_ueg -0.5793199E-01 Ec_ueg -0.8329518E-02 Delta_ex -0.6687806E-01 Delta_ec 0.1584453E-01 Delta_et -0.2104390E+00 Pxc 0.6955023E+01 Qxc -0.4220892E+01 3,-1 97 3 +1 -0.130645 -2.887938 -0.155157 Rho 0.5393252E-02 |GRAD(Rho)| 0.3906982E-17 GRAD(Rho)x -0.2945540E-17 GRAD(Rho)y -0.3722291E-18 GRAD(Rho)z 0.2539635E-17 Laplacian 0.2211899E-01 (-1/4)Del**2(Rho)) -0.5529746E-02 Diamond 0.5671535E-03 Metallicity 0.5167326E+00 Ellipticity -0.3516633E+01 Gb(Abramov) 0.4162731E-02 Vb(Abramov) -0.2795715E-02 Hb(Abramov) 0.1367015E-02 Ex_ueg -0.6985316E-03 Ec_ueg -0.1638751E-03 Delta_ex -0.1112702E-02 Delta_ec 0.6906059E-03 Delta_et -0.3839120E-02 Pxc 0.4262585E+01 Qxc -0.1611196E+01 3,+1 98 3 +1 -1.183909 -2.167079 -1.265182 Rho 0.2951070E-01 |GRAD(Rho)| 0.4775513E-12 GRAD(Rho)x -0.2794956E-12 GRAD(Rho)y 0.1193718E-12 GRAD(Rho)z 0.3683584E-12 Laplacian 0.1214819E+00 (-1/4)Del**2(Rho)) -0.3037046E-01 Diamond 0.2162896E-01 Metallicity 0.1598580E+01 Ellipticity -0.8523604E+01 Gb(Abramov) 0.2833858E-01 Vb(Abramov) -0.2630669E-01 Hb(Abramov) 0.2031887E-02 Ex_ueg -0.6735312E-02 Ec_ueg -0.1318396E-02 Delta_ex -0.8044299E-02 Delta_ec 0.2319741E-02 Delta_et -0.2128570E-01 Pxc 0.5108717E+01 Qxc -0.3467757E+01 3,+1 99 3 -1 -0.058460 2.892694 0.056423 Rho 0.5453064E-02 |GRAD(Rho)| 0.1208874E-15 GRAD(Rho)x -0.9146521E-16 GRAD(Rho)y -0.1019979E-16 GRAD(Rho)z 0.7838260E-16 Laplacian 0.2190608E-01 (-1/4)Del**2(Rho)) -0.5476520E-02 Diamond 0.6432113E-03 Metallicity 0.5314341E+00 Ellipticity 0.4826377E+01 Gb(Abramov) 0.4136082E-02 Vb(Abramov) -0.2795643E-02 Hb(Abramov) 0.1340438E-02 Ex_ueg -0.7088796E-03 Ec_ueg -0.1664618E-03 Delta_ex -0.1164858E-02 Delta_ec 0.7919455E-03 Delta_et -0.4373472E-02 Pxc 0.4258513E+01 Qxc -0.1470881E+01 3,-1 100 3 -1 -1.772037 2.796009 -0.575453 Rho 0.1586674E+00 |GRAD(Rho)| 0.7530364E-15 GRAD(Rho)x -0.5626467E-15 GRAD(Rho)y -0.2545842E-16 GRAD(Rho)z 0.4998443E-15 Laplacian 0.6657338E+00 (-1/4)Del**2(Rho)) -0.1664335E+00 Diamond 0.1433530E+01 Metallicity 0.4813476E+01 Ellipticity 0.1909763E-01 Gb(Abramov) 0.2444762E+00 Vb(Abramov) -0.3225190E+00 Hb(Abramov) -0.7804277E-01 Ex_ueg -0.6344082E-01 Ec_ueg -0.9000643E-02 Delta_ex -0.7240131E-01 Delta_ec 0.1649443E-01 Delta_et -0.2208330E+00 Pxc 0.7048476E+01 Qxc -0.4389439E+01 3,-1 101 3 +1 -0.136813 2.886168 0.137142 Rho 0.5448820E-02 |GRAD(Rho)| 0.4280385E-17 GRAD(Rho)x -0.1581749E-17 GRAD(Rho)y 0.7418418E-18 GRAD(Rho)z -0.3907613E-17 Laplacian 0.2221469E-01 (-1/4)Del**2(Rho)) -0.5553673E-02 Diamond 0.5919532E-03 Metallicity 0.5233717E+00 Ellipticity -0.5073581E+01 Gb(Abramov) 0.4186888E-02 Vb(Abramov) -0.2820103E-02 Hb(Abramov) 0.1366785E-02 Ex_ueg -0.7081441E-03 Ec_ueg -0.1662782E-03 Delta_ex -0.1131717E-02 Delta_ec 0.7149379E-03 Delta_et -0.3977993E-02 Pxc 0.4258791E+01 Qxc -0.1582958E+01 3,+1 102 3 -1 -1.959961 3.010037 0.870568 Rho 0.1493187E+00 |GRAD(Rho)| 0.2733807E-14 GRAD(Rho)x -0.1739142E-14 GRAD(Rho)y -0.6992020E-15 GRAD(Rho)z -0.1990026E-14 Laplacian 0.5876312E+00 (-1/4)Del**2(Rho)) -0.1469078E+00 Diamond 0.1187586E+01 Metallicity 0.4928318E+01 Ellipticity 0.4529255E-01 Gb(Abramov) 0.2186066E+00 Vb(Abramov) -0.2903054E+00 Hb(Abramov) -0.7169880E-01 Ex_ueg -0.5850649E-01 Ec_ueg -0.8399917E-02 Delta_ex -0.6306802E-01 Delta_ec 0.1498448E-01 Delta_et -0.1994794E+00 Pxc 0.6965128E+01 Qxc -0.4208889E+01 3,-1 103 3 +3 1.115692 1.102477 1.120175 Rho 0.5315765E-02 |GRAD(Rho)| 0.1639825E-14 GRAD(Rho)x -0.9669337E-15 GRAD(Rho)y -0.8273082E-15 GRAD(Rho)z -0.1034228E-14 Laplacian 0.2065186E-01 (-1/4)Del**2(Rho)) -0.5162965E-02 Diamond 0.1541318E-03 Metallicity 0.5402526E+00 Ellipticity -0.8531223E-01 Gb(Abramov) 0.3906861E-02 Vb(Abramov) -0.2650757E-02 Hb(Abramov) 0.1256104E-02 Ex_ueg -0.6851822E-03 Ec_ueg -0.1605266E-03 Delta_ex -0.7234432E-03 Delta_ec 0.8682383E-04 Delta_et -0.7064437E-03 Pxc 0.4268339E+01 Qxc -0.8332312E+01 3,+3 104 3 +1 -0.192660 0.172217 2.903229 Rho 0.5429431E-02 |GRAD(Rho)| 0.1768485E-16 GRAD(Rho)x -0.1316168E-16 GRAD(Rho)y -0.1181176E-16 GRAD(Rho)z -0.7937828E-19 Laplacian 0.2239123E-01 (-1/4)Del**2(Rho)) -0.5597806E-02 Diamond 0.5465662E-03 Metallicity 0.5161697E+00 Ellipticity -0.2444462E+01 Gb(Abramov) 0.4213441E-02 Vb(Abramov) -0.2829075E-02 Hb(Abramov) 0.1384366E-02 Ex_ueg -0.7047863E-03 Ec_ueg -0.1654395E-03 Delta_ex -0.1100622E-02 Delta_ec 0.6504536E-03 Delta_et -0.3642800E-02 Pxc 0.4260085E+01 Qxc -0.1692085E+01 3,+1 105 3 -1 -1.761613 0.548002 1.717298 Rho 0.4201955E-01 |GRAD(Rho)| 0.1120975E-15 GRAD(Rho)x -0.1072829E-15 GRAD(Rho)y -0.1594105E-16 GRAD(Rho)z 0.2832182E-16 Laplacian 0.1776856E+00 (-1/4)Del**2(Rho)) -0.4442139E-01 Diamond 0.7253116E-01 Metallicity 0.1969609E+01 Ellipticity 0.1115051E-01 Gb(Abramov) 0.4419639E-01 Vb(Abramov) -0.4397138E-01 Hb(Abramov) 0.2250029E-03 Ex_ueg -0.1078914E-01 Ec_ueg -0.1978741E-02 Delta_ex -0.1408033E-01 Delta_ec 0.5438852E-02 Delta_et -0.5479355E-01 Pxc 0.5452528E+01 Qxc -0.2588842E+01 3,-1 106 3 +1 1.661715 0.515757 0.555323 Rho 0.8969292E-02 |GRAD(Rho)| 0.7632456E-13 GRAD(Rho)x 0.5648887E-13 GRAD(Rho)y 0.4549440E-13 GRAD(Rho)z 0.2376354E-13 Laplacian 0.3474273E-01 (-1/4)Del**2(Rho)) -0.8685681E-02 Diamond 0.9906998E-03 Metallicity 0.7679734E+00 Ellipticity -0.1479153E+01 Gb(Abramov) 0.6902183E-02 Vb(Abramov) -0.5118685E-02 Hb(Abramov) 0.1783498E-02 Ex_ueg -0.1376351E-02 Ec_ueg -0.3215334E-03 Delta_ex -0.1606794E-02 Delta_ec 0.4935192E-03 Delta_et -0.3406081E-02 Pxc 0.4280586E+01 Qxc -0.3255788E+01 3,+1 107 3 -1 -0.845385 -2.962096 -2.018039 Rho 0.1366477E+00 |GRAD(Rho)| 0.4939361E-15 GRAD(Rho)x -0.3830757E-15 GRAD(Rho)y -0.2553025E-15 GRAD(Rho)z 0.1790153E-15 Laplacian 0.5375063E+00 (-1/4)Del**2(Rho)) -0.1343766E+00 Diamond 0.9780911E+00 Metallicity 0.4647649E+01 Ellipticity 0.2952149E-01 Gb(Abramov) 0.1936736E+00 Vb(Abramov) -0.2529705E+00 Hb(Abramov) -0.5929699E-01 Ex_ueg -0.5198220E-01 Ec_ueg -0.7594331E-02 Delta_ex -0.5647113E-01 Delta_ec 0.1403838E-01 Delta_et -0.1845075E+00 Pxc 0.6844869E+01 Qxc -0.4022626E+01 3,-1 108 3 -1 -1.698465 1.755028 0.527332 Rho 0.4851526E-01 |GRAD(Rho)| 0.1504472E-15 GRAD(Rho)x 0.1481630E-16 GRAD(Rho)y -0.1488525E-15 GRAD(Rho)z 0.1605572E-16 Laplacian 0.1978577E+00 (-1/4)Del**2(Rho)) -0.4946444E-01 Diamond 0.9540071E-01 Metallicity 0.2247626E+01 Ellipticity 0.1377832E-01 Gb(Abramov) 0.5150588E-01 Vb(Abramov) -0.5354733E-01 Hb(Abramov) -0.2041446E-02 Ex_ueg -0.1306841E-01 Ec_ueg -0.2332969E-02 Delta_ex -0.1612404E-01 Delta_ec 0.5826882E-02 Delta_et -0.6094236E-01 Pxc 0.5601624E+01 Qxc -0.2767182E+01 3,-1 109 3 -1 -0.849192 2.963018 2.024896 Rho 0.1319768E+00 |GRAD(Rho)| 0.3601927E-15 GRAD(Rho)x 0.1413935E-15 GRAD(Rho)y 0.3149811E-15 GRAD(Rho)z 0.1026333E-15 Laplacian 0.5194486E+00 (-1/4)Del**2(Rho)) -0.1298622E+00 Diamond 0.9066766E+00 Metallicity 0.4538371E+01 Ellipticity 0.2568019E-01 Gb(Abramov) 0.1848019E+00 Vb(Abramov) -0.2397416E+00 Hb(Abramov) -0.5493972E-01 Ex_ueg -0.4962669E-01 Ec_ueg -0.7299957E-02 Delta_ex -0.5411836E-01 Delta_ec 0.1368328E-01 Delta_et -0.1788562E+00 Pxc 0.6798216E+01 Qxc -0.3955072E+01 3,-1 110 3 +1 -0.508550 1.669017 -0.548812 Rho 0.8836190E-02 |GRAD(Rho)| 0.3064827E-16 GRAD(Rho)x 0.2587213E-17 GRAD(Rho)y -0.2378980E-16 GRAD(Rho)z 0.1914858E-16 Laplacian 0.3437190E-01 (-1/4)Del**2(Rho)) -0.8592974E-02 Diamond 0.9618696E-03 Metallicity 0.7571549E+00 Ellipticity -0.1469250E+01 Gb(Abramov) 0.6813018E-02 Vb(Abramov) -0.5033062E-02 Hb(Abramov) 0.1779956E-02 Ex_ueg -0.1349186E-02 Ec_ueg -0.3155602E-03 Delta_ex -0.1584290E-02 Delta_ec 0.4894312E-03 Delta_et -0.3363963E-02 Pxc 0.4275525E+01 Qxc -0.3237003E+01 3,+1 111 3 -1 -0.867889 1.955597 3.016864 Rho 0.1458002E+00 |GRAD(Rho)| 0.3113824E-15 GRAD(Rho)x 0.4702727E-16 GRAD(Rho)y 0.3031700E-15 GRAD(Rho)z 0.5324788E-16 Laplacian 0.5731556E+00 (-1/4)Del**2(Rho)) -0.1432889E+00 Diamond 0.1127449E+01 Metallicity 0.4855911E+01 Ellipticity 0.4273743E-01 Gb(Abramov) 0.2114923E+00 Vb(Abramov) -0.2796957E+00 Hb(Abramov) -0.6820340E-01 Ex_ueg -0.5667556E-01 Ec_ueg -0.8175209E-02 Delta_ex -0.6117482E-01 Delta_ec 0.1473530E-01 Delta_et -0.1955694E+00 Pxc 0.6932612E+01 Qxc -0.4151582E+01 3,-1 112 3 -1 1.840809 0.543214 2.751850 Rho 0.1182950E+00 |GRAD(Rho)| 0.2160607E-13 GRAD(Rho)x 0.1679248E-13 GRAD(Rho)y -0.1331035E-13 GRAD(Rho)z -0.2769384E-14 Laplacian 0.4935620E+00 (-1/4)Del**2(Rho)) -0.1233905E+00 Diamond 0.7446485E+00 Metallicity 0.3979994E+01 Ellipticity 0.3477768E-02 Gb(Abramov) 0.1641092E+00 Vb(Abramov) -0.2048280E+00 Hb(Abramov) -0.4071873E-01 Ex_ueg -0.4288846E-01 Ec_ueg -0.6446050E-02 Delta_ex -0.4994565E-01 Delta_ec 0.1308093E-01 Delta_et -0.1674246E+00 Pxc 0.6653448E+01 Qxc -0.3818203E+01 3,-1 113 3 -1 -0.010704 -2.892903 -0.034321 Rho 0.5407545E-02 |GRAD(Rho)| 0.3576488E-17 GRAD(Rho)x -0.2175197E-17 GRAD(Rho)y 0.1814348E-17 GRAD(Rho)z 0.2183559E-17 Laplacian 0.2175290E-01 (-1/4)Del**2(Rho)) -0.5438224E-02 Diamond 0.6438323E-03 Metallicity 0.5277518E+00 Ellipticity 0.3387765E+01 Gb(Abramov) 0.4103821E-02 Vb(Abramov) -0.2769419E-02 Hb(Abramov) 0.1334403E-02 Ex_ueg -0.7010010E-03 Ec_ueg -0.1644931E-03 Delta_ex -0.1165178E-02 Delta_ec 0.8047357E-03 Delta_et -0.4426407E-02 Pxc 0.4261583E+01 Qxc -0.1447901E+01 3,-1 114 3 -1 -0.872294 -1.951971 -3.018376 Rho 0.1517736E+00 |GRAD(Rho)| 0.3534791E-15 GRAD(Rho)x -0.8676328E-16 GRAD(Rho)y 0.3287708E-15 GRAD(Rho)z -0.9658886E-16 Laplacian 0.5964094E+00 (-1/4)Del**2(Rho)) -0.1491024E+00 Diamond 0.1230009E+01 Metallicity 0.4989561E+01 Ellipticity 0.4735554E-01 Gb(Abramov) 0.2233941E+00 Vb(Abramov) -0.2976859E+00 Hb(Abramov) -0.7429177E-01 Ex_ueg -0.5979250E-01 Ec_ueg -0.8557146E-02 Delta_ex -0.6427542E-01 Delta_ec 0.1516163E-01 Delta_et -0.2023317E+00 Pxc 0.6987434E+01 Qxc -0.4239347E+01 3,-1 115 3 +1 2.166245 -1.378480 1.099169 Rho 0.2699866E-01 |GRAD(Rho)| 0.5592079E-16 GRAD(Rho)x -0.4731471E-16 GRAD(Rho)y 0.2377492E-16 GRAD(Rho)z -0.1797791E-16 Laplacian 0.1088204E+00 (-1/4)Del**2(Rho)) -0.2720511E-01 Diamond 0.1661297E-01 Metallicity 0.1538649E+01 Ellipticity -0.4957022E+01 Gb(Abramov) 0.2511326E-01 Vb(Abramov) -0.2302141E-01 Hb(Abramov) 0.2091849E-02 Ex_ueg -0.5981929E-02 Ec_ueg -0.1189861E-02 Delta_ex -0.6986335E-02 Delta_ec 0.1984918E-02 Delta_et -0.1782761E-01 Pxc 0.5027420E+01 Qxc -0.3519709E+01 3,+1 116 3 -1 -0.535864 -1.700944 -1.747593 Rho 0.4828854E-01 |GRAD(Rho)| 0.6400823E-16 GRAD(Rho)x -0.2253362E-16 GRAD(Rho)y 0.5982551E-16 GRAD(Rho)z 0.3193314E-17 Laplacian 0.1970293E+00 (-1/4)Del**2(Rho)) -0.4925732E-01 Diamond 0.9431661E-01 Metallicity 0.2239524E+01 Ellipticity 0.1219191E-01 Gb(Abramov) 0.5122371E-01 Vb(Abramov) -0.5319010E-01 Hb(Abramov) -0.1966387E-02 Ex_ueg -0.1298705E-01 Ec_ueg -0.2320491E-02 Delta_ex -0.1603392E-01 Delta_ec 0.5796118E-02 Delta_et -0.6054469E-01 Pxc 0.5596681E+01 Qxc -0.2766321E+01 3,-1 117 3 -1 -0.578082 -1.770682 2.803530 Rho 0.1563832E+00 |GRAD(Rho)| 0.3864032E-15 GRAD(Rho)x -0.3505226E-15 GRAD(Rho)y 0.1577243E-15 GRAD(Rho)z 0.3955305E-16 Laplacian 0.6569772E+00 (-1/4)Del**2(Rho)) -0.1642443E+00 Diamond 0.1392733E+01 Metallicity 0.4761163E+01 Ellipticity 0.1767994E-01 Gb(Abramov) 0.2398285E+00 Vb(Abramov) -0.3154127E+00 Hb(Abramov) -0.7558422E-01 Ex_ueg -0.6222600E-01 Ec_ueg -0.8853375E-02 Delta_ex -0.7121601E-01 Delta_ec 0.1637911E-01 Delta_et -0.2189858E+00 Pxc 0.7028506E+01 Qxc -0.4347977E+01 3,-1 118 3 -1 -0.545858 2.748039 -1.854484 Rho 0.1128950E+00 |GRAD(Rho)| 0.1944603E-15 GRAD(Rho)x -0.1131975E-15 GRAD(Rho)y 0.1704739E-16 GRAD(Rho)z 0.1571958E-15 Laplacian 0.4715736E+00 (-1/4)Del**2(Rho)) -0.1178934E+00 Diamond 0.6736374E+00 Metallicity 0.3853493E+01 Ellipticity 0.7416340E-02 Gb(Abramov) 0.1543125E+00 Vb(Abramov) -0.1907316E+00 Hb(Abramov) -0.3641910E-01 Ex_ueg -0.4029809E-01 Ec_ueg -0.6112595E-02 Delta_ex -0.4720811E-01 Delta_ec 0.1266191E-01 Delta_et -0.1607677E+00 Pxc 0.6592632E+01 Qxc -0.3728356E+01 3,-1 119 3 -1 1.772082 0.521613 -1.698141 Rho 0.4363204E-01 |GRAD(Rho)| 0.1898256E-12 GRAD(Rho)x 0.1714874E-12 GRAD(Rho)y 0.8125136E-13 GRAD(Rho)z -0.4905576E-14 Laplacian 0.1837259E+00 (-1/4)Del**2(Rho)) -0.4593148E-01 Diamond 0.7919390E-01 Metallicity 0.2028237E+01 Ellipticity 0.1504613E-01 Gb(Abramov) 0.4614763E-01 Vb(Abramov) -0.4636379E-01 Hb(Abramov) -0.2161583E-03 Ex_ueg -0.1134468E-01 Ec_ueg -0.2066024E-02 Delta_ex -0.1470874E-01 Delta_ec 0.5646223E-02 Delta_et -0.5746566E-01 Pxc 0.5491070E+01 Qxc -0.2605058E+01 3,-1 120 3 -1 -0.039233 -0.017782 -2.903125 Rho 0.5312470E-02 |GRAD(Rho)| 0.1982726E-14 GRAD(Rho)x 0.1093694E-14 GRAD(Rho)y 0.1598508E-14 GRAD(Rho)z -0.4240384E-15 Laplacian 0.2125321E-01 (-1/4)Del**2(Rho)) -0.5313302E-02 Diamond 0.6201015E-03 Metallicity 0.5244243E+00 Ellipticity 0.3178081E+01 Gb(Abramov) 0.4006605E-02 Vb(Abramov) -0.2699909E-02 Hb(Abramov) 0.1306697E-02 Ex_ueg -0.6846159E-03 Ec_ueg -0.1603843E-03 Delta_ex -0.1139738E-02 Delta_ec 0.7952293E-03 Delta_et -0.4347483E-02 Pxc 0.4268596E+01 Qxc -0.1433219E+01 3,-1 121 3 -1 -0.464390 -0.470941 -0.467044 Rho 0.1862710E+00 |GRAD(Rho)| 0.4917742E-14 GRAD(Rho)x -0.3087808E-14 GRAD(Rho)y -0.3122502E-14 GRAD(Rho)z -0.2213507E-14 Laplacian 0.5143534E+00 (-1/4)Del**2(Rho)) -0.1285884E+00 Diamond 0.1379188E+01 Metallicity 0.8139420E+01 Ellipticity 0.2394049E-02 Gb(Abramov) 0.2601647E+00 Vb(Abramov) -0.3917410E+00 Hb(Abramov) -0.1315763E+00 Ex_ueg -0.7856792E-01 Ec_ueg -0.1080456E-01 Delta_ex -0.5850417E-01 Delta_ec 0.1270644E-01 Delta_et -0.1747079E+00 Pxc 0.7271739E+01 Qxc -0.4604294E+01 3,-1 122 3 +3 0.000381 0.026835 -2.320562 Rho 0.4597029E-02 |GRAD(Rho)| 0.8066983E-15 GRAD(Rho)x -0.3299156E-15 GRAD(Rho)y -0.4414091E-15 GRAD(Rho)z 0.5891314E-15 Laplacian 0.1869198E-01 (-1/4)Del**2(Rho)) -0.4672995E-02 Diamond 0.1674428E-03 Metallicity 0.4685471E+00 Ellipticity -0.3327441E+00 Gb(Abramov) 0.3480250E-02 Vb(Abramov) -0.2287504E-02 Hb(Abramov) 0.1192745E-02 Ex_ueg -0.5645313E-03 Ec_ueg -0.1296127E-03 Delta_ex -0.6840122E-03 Delta_ec 0.1770853E-03 Delta_et -0.1105506E-02 Pxc 0.4355523E+01 Qxc -0.3862613E+01 3,+3 123 3 +1 0.179631 0.194787 -2.901061 Rho 0.5242571E-02 |GRAD(Rho)| 0.1678036E-16 GRAD(Rho)x 0.1268011E-16 GRAD(Rho)y -0.1098602E-16 GRAD(Rho)z -0.3205856E-18 Laplacian 0.2169318E-01 (-1/4)Del**2(Rho)) -0.5423294E-02 Diamond 0.5054988E-03 Metallicity 0.5025707E+00 Ellipticity -0.2314995E+01 Gb(Abramov) 0.4069794E-02 Vb(Abramov) -0.2716294E-02 Hb(Abramov) 0.1353500E-02 Ex_ueg -0.6726319E-03 Ec_ueg -0.1573665E-03 Delta_ex -0.1059161E-02 Delta_ec 0.6307172E-03 Delta_et -0.3495442E-02 Pxc 0.4274302E+01 Qxc -0.1679297E+01 3,+1 124 3 +3 0.016885 -2.331770 -0.007504 Rho 0.4749301E-02 |GRAD(Rho)| 0.4154103E-14 GRAD(Rho)x -0.2103496E-14 GRAD(Rho)y 0.3038007E-14 GRAD(Rho)z -0.1897996E-14 Laplacian 0.1945809E-01 (-1/4)Del**2(Rho)) -0.4864523E-02 Diamond 0.1845999E-03 Metallicity 0.4752212E+00 Ellipticity -0.2983777E+00 Gb(Abramov) 0.3628303E-02 Vb(Abramov) -0.2392082E-02 Hb(Abramov) 0.1236220E-02 Ex_ueg -0.5896007E-03 Ec_ueg -0.1361402E-03 Delta_ex -0.7203863E-03 Delta_ec 0.1886239E-03 Delta_et -0.1181053E-02 Pxc 0.4330835E+01 Qxc -0.3819168E+01 3,+3 125 3 -1 0.524257 -1.703187 1.756483 Rho 0.4992468E-01 |GRAD(Rho)| 0.3060734E-14 GRAD(Rho)x 0.2282689E-14 GRAD(Rho)y 0.6253517E-15 GRAD(Rho)z 0.1940711E-14 Laplacian 0.2039881E+00 (-1/4)Del**2(Rho)) -0.5099704E-01 Diamond 0.1024836E+00 Metallicity 0.2286654E+01 Ellipticity 0.1490672E-01 Gb(Abramov) 0.5343345E-01 Vb(Abramov) -0.5586987E-01 Hb(Abramov) -0.2436416E-02 Ex_ueg -0.1357705E-01 Ec_ueg -0.2410711E-02 Delta_ex -0.1675365E-01 Delta_ec 0.6023215E-02 Delta_et -0.6347305E-01 Pxc 0.5631970E+01 Qxc -0.2781513E+01 3,-1 126 3 -1 -0.465057 0.476585 0.470712 Rho 0.1860637E+00 |GRAD(Rho)| 0.5490393E-15 GRAD(Rho)x 0.1700029E-15 GRAD(Rho)y -0.5169476E-15 GRAD(Rho)z 0.7285839E-16 Laplacian 0.5133388E+00 (-1/4)Del**2(Rho)) -0.1283347E+00 Diamond 0.1373797E+01 Metallicity 0.8140392E+01 Ellipticity 0.2656387E-02 Gb(Abramov) 0.2596723E+00 Vb(Abramov) -0.3910098E+00 Hb(Abramov) -0.1313376E+00 Ex_ueg -0.7845141E-01 Ec_ueg -0.1079085E-01 Delta_ex -0.5836622E-01 Delta_ec 0.1267399E-01 Delta_et -0.1742072E+00 Pxc 0.7270177E+01 Qxc -0.4605197E+01 3,-1 127 3 +1 0.537046 0.523666 1.665575 Rho 0.8961711E-02 |GRAD(Rho)| 0.4611404E-16 GRAD(Rho)x -0.3746237E-16 GRAD(Rho)y -0.2013702E-17 GRAD(Rho)z -0.2681456E-16 Laplacian 0.3471285E-01 (-1/4)Del**2(Rho)) -0.8678213E-02 Diamond 0.9843370E-03 Metallicity 0.7675520E+00 Ellipticity -0.1473197E+01 Gb(Abramov) 0.6895639E-02 Vb(Abramov) -0.5113064E-02 Hb(Abramov) 0.1782574E-02 Ex_ueg -0.1374800E-02 Ec_ueg -0.3211930E-03 Delta_ex -0.1603204E-02 Delta_ec 0.4897668E-03 Delta_et -0.3382093E-02 Pxc 0.4280294E+01 Qxc -0.3273403E+01 3,+1 128 3 +3 -0.021387 0.005915 2.321021 Rho 0.4741616E-02 |GRAD(Rho)| 0.1297356E-12 GRAD(Rho)x 0.1229277E-12 GRAD(Rho)y -0.3168179E-13 GRAD(Rho)z -0.2676484E-13 Laplacian 0.1928243E-01 (-1/4)Del**2(Rho)) -0.4820609E-02 Diamond 0.1769975E-03 Metallicity 0.4782577E+00 Ellipticity -0.3173879E+00 Gb(Abramov) 0.3597988E-02 Vb(Abramov) -0.2375367E-02 Hb(Abramov) 0.1222621E-02 Ex_ueg -0.5883290E-03 Ec_ueg -0.1358105E-03 Delta_ex -0.7080732E-03 Delta_ec 0.1770734E-03 Delta_et -0.1121299E-02 Pxc 0.4331985E+01 Qxc -0.3998756E+01 3,+3 129 3 -1 -0.530325 1.707782 1.745850 Rho 0.4835484E-01 |GRAD(Rho)| 0.1105191E-15 GRAD(Rho)x -0.1803037E-16 GRAD(Rho)y 0.1669502E-16 GRAD(Rho)z -0.1077528E-15 Laplacian 0.1969127E+00 (-1/4)Del**2(Rho)) -0.4922818E-01 Diamond 0.9446033E-01 Metallicity 0.2245980E+01 Ellipticity 0.1145430E-01 Gb(Abramov) 0.5124637E-01 Vb(Abramov) -0.5326457E-01 Hb(Abramov) -0.2018195E-02 Ex_ueg -0.1301083E-01 Ec_ueg -0.2324139E-02 Delta_ex -0.1603104E-01 Delta_ec 0.5794520E-02 Delta_et -0.6055021E-01 Pxc 0.5598128E+01 Qxc -0.2766586E+01 3,-1 130 3 -1 0.000510 -0.012971 2.905700 Rho 0.5484809E-02 |GRAD(Rho)| 0.1460139E-16 GRAD(Rho)x -0.1003647E-16 GRAD(Rho)y -0.1054647E-16 GRAD(Rho)z 0.1114366E-17 Laplacian 0.2186865E-01 (-1/4)Del**2(Rho)) -0.5467163E-02 Diamond 0.6661654E-03 Metallicity 0.5375188E+00 Ellipticity 0.2489849E+01 Gb(Abramov) 0.4134560E-02 Vb(Abramov) -0.2801956E-02 Hb(Abramov) 0.1332604E-02 Ex_ueg -0.7143874E-03 Ec_ueg -0.1678354E-03 Delta_ex -0.1179738E-02 Delta_ec 0.8184713E-03 Delta_et -0.4518231E-02 Pxc 0.4256476E+01 Qxc -0.1441392E+01 3,-1 131 3 -1 -0.570642 1.784852 -2.814611 Rho 0.1415976E+00 |GRAD(Rho)| 0.1783642E-15 GRAD(Rho)x -0.1401060E-15 GRAD(Rho)y -0.1015355E-15 GRAD(Rho)z 0.4329694E-16 Laplacian 0.5918845E+00 (-1/4)Del**2(Rho)) -0.1479711E+00 Diamond 0.1100952E+01 Metallicity 0.4478536E+01 Ellipticity 0.2241976E-01 Gb(Abramov) 0.2090964E+00 Vb(Abramov) -0.2702217E+00 Hb(Abramov) -0.6112531E-01 Ex_ueg -0.5450793E-01 Ec_ueg -0.7907829E-02 Delta_ex -0.6247546E-01 Delta_ec 0.1488158E-01 Delta_et -0.1957224E+00 Pxc 0.6892906E+01 Qxc -0.4198173E+01 3,-1 132 3 -1 -0.548397 -2.748120 1.830882 Rho 0.1328030E+00 |GRAD(Rho)| 0.2110159E-15 GRAD(Rho)x 0.1457439E-15 GRAD(Rho)y 0.5397294E-16 GRAD(Rho)z 0.1427352E-15 Laplacian 0.5581671E+00 (-1/4)Del**2(Rho)) -0.1395418E+00 Diamond 0.9804577E+00 Metallicity 0.4267715E+01 Ellipticity 0.9384750E-02 Gb(Abramov) 0.1922819E+00 Vb(Abramov) -0.2450221E+00 Hb(Abramov) -0.5274016E-01 Ex_ueg -0.5004134E-01 Ec_ueg -0.7351923E-02 Delta_ex -0.5822660E-01 Delta_ec 0.1465756E-01 Delta_et -0.1917382E+00 Pxc 0.6806565E+01 Qxc -0.3972463E+01 3,-1 133 3 -1 -0.066860 -3.143600 3.249457 Rho 0.2515522E+00 |GRAD(Rho)| 0.7987179E-15 GRAD(Rho)x 0.2035047E-15 GRAD(Rho)y 0.4672911E-15 GRAD(Rho)z -0.6149595E-15 Laplacian 0.9202542E+00 (-1/4)Del**2(Rho)) -0.2300636E+00 Diamond 0.3427508E+01 Metallicity 0.7506179E+01 Ellipticity 0.1741720E-02 Gb(Abramov) 0.4411921E+00 Vb(Abramov) -0.6523206E+00 Hb(Abramov) -0.2111285E+00 Ex_ueg -0.1172796E+00 Ec_ueg -0.1524134E-01 Delta_ex -0.1124793E+00 Delta_ec 0.1989563E-01 Delta_et -0.2752488E+00 Pxc 0.7694839E+01 Qxc -0.5653468E+01 3,-1 134 3 +1 1.761046 -1.736181 -1.741966 Rho 0.1201316E-01 |GRAD(Rho)| 0.6480334E-12 GRAD(Rho)x -0.2588750E-12 GRAD(Rho)y -0.5472515E-12 GRAD(Rho)z 0.2311857E-12 Laplacian 0.6039811E-01 (-1/4)Del**2(Rho)) -0.1509953E-01 Diamond 0.2426000E-02 Metallicity 0.7189278E+00 Ellipticity -0.1246741E+01 Gb(Abramov) 0.1187560E-01 Vb(Abramov) -0.8651665E-02 Hb(Abramov) 0.3223931E-02 Ex_ueg -0.2032020E-02 Ec_ueg -0.4601766E-03 Delta_ex -0.2970326E-02 Delta_ec 0.7850988E-03 Delta_et -0.5887642E-02 Pxc 0.4415741E+01 Qxc -0.3783378E+01 3,+1 135 3 +1 0.195067 -2.886082 0.173633 Rho 0.5347238E-02 |GRAD(Rho)| 0.3521427E-17 GRAD(Rho)x -0.3273480E-17 GRAD(Rho)y 0.1076567E-17 GRAD(Rho)z -0.7251061E-18 Laplacian 0.2222207E-01 (-1/4)Del**2(Rho)) -0.5555517E-02 Diamond 0.5322362E-03 Metallicity 0.5070427E+00 Ellipticity -0.2385571E+01 Gb(Abramov) 0.4173159E-02 Vb(Abramov) -0.2790800E-02 Hb(Abramov) 0.1382358E-02 Ex_ueg -0.6905965E-03 Ec_ueg -0.1618863E-03 Delta_ex -0.1089668E-02 Delta_ec 0.6467837E-03 Delta_et -0.3605319E-02 Pxc 0.4265935E+01 Qxc -0.1684749E+01 3,+1 136 3 +1 2.908376 -0.194423 0.185508 Rho 0.5242623E-02 |GRAD(Rho)| 0.5891773E-17 GRAD(Rho)x -0.4617969E-18 GRAD(Rho)y -0.4151991E-17 GRAD(Rho)z -0.4154601E-17 Laplacian 0.2175900E-01 (-1/4)Del**2(Rho)) -0.5439750E-02 Diamond 0.5022545E-03 Metallicity 0.5010586E+00 Ellipticity -0.2212313E+01 Gb(Abramov) 0.4080772E-02 Vb(Abramov) -0.2721795E-02 Hb(Abramov) 0.1358978E-02 Ex_ueg -0.6726408E-03 Ec_ueg -0.1573687E-03 Delta_ex -0.1058206E-02 Delta_ec 0.6251840E-03 Delta_et -0.3468030E-02 Pxc 0.4274297E+01 Qxc -0.1692632E+01 3,+1 137 3 +3 2.330735 -0.038969 0.024034 Rho 0.4621454E-02 |GRAD(Rho)| 0.2450058E-17 GRAD(Rho)x 0.6764077E-18 GRAD(Rho)y -0.3418748E-18 GRAD(Rho)z -0.2329888E-17 Laplacian 0.1884623E-01 (-1/4)Del**2(Rho)) -0.4711557E-02 Diamond 0.1721548E-03 Metallicity 0.4688347E+00 Ellipticity -0.3606080E+00 Gb(Abramov) 0.3509195E-02 Vb(Abramov) -0.2306833E-02 Hb(Abramov) 0.1202362E-02 Ex_ueg -0.5685342E-03 Ec_ueg -0.1306590E-03 Delta_ex -0.6927661E-03 Delta_ec 0.1824350E-03 Delta_et -0.1135096E-02 Pxc 0.4351283E+01 Qxc -0.3797330E+01 3,+3 138 3 +1 0.173932 2.895354 -0.184193 Rho 0.5372881E-02 |GRAD(Rho)| 0.8221796E-17 GRAD(Rho)x -0.6523839E-17 GRAD(Rho)y 0.9340998E-18 GRAD(Rho)z 0.4915782E-17 Laplacian 0.2220238E-01 (-1/4)Del**2(Rho)) -0.5550594E-02 Diamond 0.5261771E-03 Metallicity 0.5115552E+00 Ellipticity -0.2273152E+01 Gb(Abramov) 0.4173635E-02 Vb(Abramov) -0.2796676E-02 Hb(Abramov) 0.1376959E-02 Ex_ueg -0.6950159E-03 Ec_ueg -0.1629945E-03 Delta_ex -0.1082135E-02 Delta_ec 0.6326212E-03 Delta_et -0.3537287E-02 Pxc 0.4264044E+01 Qxc -0.1710557E+01 3,+1 139 3 -1 -0.056004 3.143650 -3.266064 Rho 0.2413378E+00 |GRAD(Rho)| 0.5903320E-15 GRAD(Rho)x 0.1854934E-15 GRAD(Rho)y -0.3164786E-15 GRAD(Rho)z 0.4625206E-15 Laplacian 0.8604658E+00 (-1/4)Del**2(Rho)) -0.2151164E+00 Diamond 0.3079960E+01 Metallicity 0.7491841E+01 Ellipticity 0.3399116E-03 Gb(Abramov) 0.4120140E+00 Vb(Abramov) -0.6089115E+00 Hb(Abramov) -0.1968975E+00 Ex_ueg -0.1109734E+00 Ec_ueg -0.1453164E-01 Delta_ex -0.1041990E+00 Delta_ec 0.1913091E-01 Delta_et -0.2657297E+00 Pxc 0.7636673E+01 Qxc -0.5446630E+01 3,-1 140 3 -1 0.064971 3.145539 3.249252 Rho 0.2520155E+00 |GRAD(Rho)| 0.1769601E-12 GRAD(Rho)x -0.2560015E-13 GRAD(Rho)y -0.1282988E-12 GRAD(Rho)z -0.1191591E-12 Laplacian 0.9187530E+00 (-1/4)Del**2(Rho)) -0.2296883E+00 Diamond 0.3431375E+01 Metallicity 0.7541538E+01 Ellipticity 0.2035469E-02 Gb(Abramov) 0.4418260E+00 Vb(Abramov) -0.6539637E+00 Hb(Abramov) -0.2121377E+00 Ex_ueg -0.1175677E+00 Ec_ueg -0.1527366E-01 Delta_ex -0.1123595E+00 Delta_ec 0.1986866E-01 Delta_et -0.2749630E+00 Pxc 0.7697415E+01 Qxc -0.5655112E+01 3,-1 141 3 +3 1.135829 -1.109749 -1.095514 Rho 0.5157384E-02 |GRAD(Rho)| 0.9493776E-17 GRAD(Rho)x 0.2565028E-17 GRAD(Rho)y -0.8882006E-17 GRAD(Rho)z -0.2159259E-17 Laplacian 0.1998907E-01 (-1/4)Del**2(Rho)) -0.4997268E-02 Diamond 0.1451382E-03 Metallicity 0.5307252E+00 Ellipticity -0.4476198E-01 Gb(Abramov) 0.3773541E-02 Vb(Abramov) -0.2549814E-02 Hb(Abramov) 0.1223727E-02 Ex_ueg -0.6580987E-03 Ec_ueg -0.1536920E-03 Delta_ex -0.6961299E-03 Delta_ec 0.8724558E-04 Delta_et -0.6966802E-03 Pxc 0.4281933E+01 Qxc -0.7978970E+01 3,+3 142 3 -1 0.482736 0.470543 -0.463762 Rho 0.1880609E+00 |GRAD(Rho)| 0.1657365E-15 GRAD(Rho)x 0.1110223E-15 GRAD(Rho)y 0.4510281E-16 GRAD(Rho)z 0.1144917E-15 Laplacian 0.5211334E+00 (-1/4)Del**2(Rho)) -0.1302834E+00 Diamond 0.1411224E+01 Metallicity 0.8162596E+01 Ellipticity 0.2440426E-02 Gb(Abramov) 0.2640973E+00 Vb(Abramov) -0.3979112E+00 Hb(Abramov) -0.1338139E+00 Ex_ueg -0.7957616E-01 Ec_ueg -0.1092305E-01 Delta_ex -0.5940127E-01 Delta_ec 0.1281149E-01 Delta_et -0.1762387E+00 Pxc 0.7285162E+01 Qxc -0.4636564E+01 3,-1 143 3 -1 2.904426 0.033980 -0.039301 Rho 0.5325389E-02 |GRAD(Rho)| 0.5634175E-17 GRAD(Rho)x -0.1349729E-19 GRAD(Rho)y -0.4982332E-17 GRAD(Rho)z -0.2630609E-17 Laplacian 0.2139035E-01 (-1/4)Del**2(Rho)) -0.5347588E-02 Diamond 0.6275759E-03 Metallicity 0.5231755E+00 Ellipticity 0.3019596E+01 Gb(Abramov) 0.4031347E-02 Vb(Abramov) -0.2715105E-02 Hb(Abramov) 0.1316241E-02 Ex_ueg -0.6868367E-03 Ec_ueg -0.1609424E-03 Delta_ex -0.1148825E-02 Delta_ec 0.8025456E-03 Delta_et -0.4389994E-02 Pxc 0.4267594E+01 Qxc -0.1431477E+01 3,-1 144 3 -1 0.845371 -2.968968 2.026672 Rho 0.1259142E+00 |GRAD(Rho)| 0.5261524E-14 GRAD(Rho)x -0.3930192E-14 GRAD(Rho)y 0.1738274E-14 GRAD(Rho)z 0.3035725E-14 Laplacian 0.4947510E+00 (-1/4)Del**2(Rho)) -0.1236878E+00 Diamond 0.8186642E+00 Metallicity 0.4405729E+01 Ellipticity 0.2038737E-01 Gb(Abramov) 0.1732810E+00 Vb(Abramov) -0.2228742E+00 Hb(Abramov) -0.4959320E-01 Ex_ueg -0.4661061E-01 Ec_ueg -0.6920012E-02 Delta_ex -0.5099763E-01 Delta_ec 0.1323625E-01 Delta_et -0.1717773E+00 Pxc 0.6735625E+01 Qxc -0.3852876E+01 3,-1 145 3 +1 1.410843 -1.061114 2.168625 Rho 0.2818169E-01 |GRAD(Rho)| 0.2692978E-15 GRAD(Rho)x 0.1944904E-15 GRAD(Rho)y 0.1078461E-15 GRAD(Rho)z 0.1518683E-15 Laplacian 0.1133739E+00 (-1/4)Del**2(Rho)) -0.2834348E-01 Diamond 0.1673379E-01 Metallicity 0.1586275E+01 Ellipticity -0.3132983E+01 Gb(Abramov) 0.2638908E-01 Vb(Abramov) -0.2443468E-01 Hb(Abramov) 0.1954402E-02 Ex_ueg -0.6333948E-02 Ec_ueg -0.1250204E-02 Delta_ex -0.7211587E-02 Delta_ec 0.1799214E-02 Delta_et -0.1636710E-01 Pxc 0.5066332E+01 Qxc -0.4008188E+01 3,+1 146 3 -1 0.554641 -2.747831 -1.838887 Rho 0.1291938E+00 |GRAD(Rho)| 0.2722787E-15 GRAD(Rho)x 0.1733775E-15 GRAD(Rho)y -0.1878448E-15 GRAD(Rho)z 0.9375638E-16 Laplacian 0.5413501E+00 (-1/4)Del**2(Rho)) -0.1353375E+00 Diamond 0.9209871E+00 Metallicity 0.4202789E+01 Ellipticity 0.1391398E-01 Gb(Abramov) 0.1850242E+00 Vb(Abramov) -0.2347109E+00 Hb(Abramov) -0.4968667E-01 Ex_ueg -0.4823628E-01 Ec_ueg -0.7125239E-02 Delta_ex -0.5611099E-01 Delta_ec 0.1433228E-01 Delta_et -0.1866888E+00 Pxc 0.6769777E+01 Qxc -0.3915008E+01 3,-1 147 3 -1 0.568310 1.768439 2.796746 Rho 0.1538512E+00 |GRAD(Rho)| 0.3144133E-15 GRAD(Rho)x 0.1384255E-15 GRAD(Rho)y 0.2559259E-15 GRAD(Rho)z 0.1191470E-15 Laplacian 0.6457800E+00 (-1/4)Del**2(Rho)) -0.1614450E+00 Diamond 0.1341909E+01 Metallicity 0.4713713E+01 Ellipticity 0.1577263E-01 Gb(Abramov) 0.2344642E+00 Vb(Abramov) -0.3074835E+00 Hb(Abramov) -0.7301924E-01 Ex_ueg -0.6088627E-01 Ec_ueg -0.8690497E-02 Delta_ex -0.6971537E-01 Delta_ec 0.1615750E-01 Delta_et -0.2155389E+00 Pxc 0.7006075E+01 Qxc -0.4314737E+01 3,-1 148 3 -1 0.868196 1.966221 -3.027735 Rho 0.1498900E+00 |GRAD(Rho)| 0.4367283E-15 GRAD(Rho)x -0.1265942E-15 GRAD(Rho)y 0.2745335E-15 GRAD(Rho)z 0.3151776E-15 Laplacian 0.5840247E+00 (-1/4)Del**2(Rho)) -0.1460062E+00 Diamond 0.1172406E+01 Metallicity 0.4990411E+01 Ellipticity 0.6712838E-01 Gb(Abramov) 0.2187759E+00 Vb(Abramov) -0.2915457E+00 Hb(Abramov) -0.7276974E-01 Ex_ueg -0.5880513E-01 Ec_ueg -0.8436472E-02 Delta_ex -0.6260696E-01 Delta_ec 0.1464135E-01 Delta_et -0.1944720E+00 Pxc 0.6970346E+01 Qxc -0.4276037E+01 3,-1 149 3 -1 0.544659 1.706479 -1.765892 Rho 0.4179826E-01 |GRAD(Rho)| 0.7054261E-16 GRAD(Rho)x 0.1829189E-16 GRAD(Rho)y 0.5894269E-16 GRAD(Rho)z 0.3416762E-16 Laplacian 0.1760525E+00 (-1/4)Del**2(Rho)) -0.4401312E-01 Diamond 0.7143526E-01 Metallicity 0.1970461E+01 Ellipticity 0.1323713E-01 Gb(Abramov) 0.4379644E-01 Vb(Abramov) -0.4357976E-01 Hb(Abramov) 0.2166812E-03 Ex_ueg -0.1071345E-01 Ec_ueg -0.1966798E-02 Delta_ex -0.1393736E-01 Delta_ec 0.5397319E-02 Delta_et -0.5429893E-01 Pxc 0.5447153E+01 Qxc -0.2582274E+01 3,-1 150 3 +1 1.739469 1.734840 1.746336 Rho 0.1215530E-01 |GRAD(Rho)| 0.1424972E-12 GRAD(Rho)x 0.5758483E-13 GRAD(Rho)y -0.1203194E-12 GRAD(Rho)z 0.5012660E-13 Laplacian 0.6121962E-01 (-1/4)Del**2(Rho)) -0.1530491E-01 Diamond 0.2490538E-02 Metallicity 0.7233220E+00 Ellipticity -0.1247573E+01 Gb(Abramov) 0.1204833E-01 Vb(Abramov) -0.8791760E-02 Hb(Abramov) 0.3256573E-02 Ex_ueg -0.2064140E-02 Ec_ueg -0.4667427E-03 Delta_ex -0.3017685E-02 Delta_ec 0.7914917E-03 Delta_et -0.5955946E-02 Pxc 0.4422436E+01 Qxc -0.3812656E+01 3,+1 151 3 -1 0.551882 2.752713 1.833847 Rho 0.1350660E+00 |GRAD(Rho)| 0.3384103E-15 GRAD(Rho)x -0.1305244E-15 GRAD(Rho)y 0.3754728E-16 GRAD(Rho)z 0.3099598E-15 Laplacian 0.5681294E+00 (-1/4)Del**2(Rho)) -0.1420324E+00 Diamond 0.1018645E+01 Metallicity 0.4312636E+01 Ellipticity 0.9392189E-02 Gb(Abramov) 0.1967772E+00 Vb(Abramov) -0.2515221E+00 Hb(Abramov) -0.5474487E-01 Ex_ueg -0.5118153E-01 Ec_ueg -0.7494493E-02 Delta_ex -0.5951105E-01 Delta_ec 0.1486326E-01 Delta_et -0.1949601E+00 Pxc 0.6829219E+01 Qxc -0.4003904E+01 3,-1 152 3 -1 0.838657 2.967659 -2.035076 Rho 0.1190238E+00 |GRAD(Rho)| 0.3216561E-15 GRAD(Rho)x 0.1631453E-15 GRAD(Rho)y 0.1658321E-15 GRAD(Rho)z 0.2221395E-15 Laplacian 0.4625966E+00 (-1/4)Del**2(Rho)) -0.1156491E+00 Diamond 0.7060139E+00 Metallicity 0.4290098E+01 Ellipticity 0.3037103E-01 Gb(Abramov) 0.1597905E+00 Vb(Abramov) -0.2039318E+00 Hb(Abramov) -0.4414132E-01 Ex_ueg -0.4324112E-01 Ec_ueg -0.6491211E-02 Delta_ex -0.4692031E-01 Delta_ec 0.1231307E-01 Delta_et -0.1578804E+00 Pxc 0.6661487E+01 Qxc -0.3810609E+01 3,-1 153 3 -1 0.564242 -1.766064 -2.794052 Rho 0.1495957E+00 |GRAD(Rho)| 0.2055355E-15 GRAD(Rho)x -0.2004690E-15 GRAD(Rho)y 0.3846207E-16 GRAD(Rho)z -0.2403541E-16 Laplacian 0.6279871E+00 (-1/4)Del**2(Rho)) -0.1569968E+00 Diamond 0.1264291E+01 Metallicity 0.4625878E+01 Ellipticity 0.1447667E-01 Gb(Abramov) 0.2257058E+00 Vb(Abramov) -0.2944149E+00 Hb(Abramov) -0.6870905E-01 Ex_ueg -0.5865122E-01 Ec_ueg -0.8417636E-02 Delta_ex -0.6735313E-01 Delta_ec 0.1586910E-01 Delta_et -0.2109972E+00 Pxc 0.6967660E+01 Qxc -0.4244294E+01 3,-1 154 3 -1 0.868177 -1.959146 3.016002 Rho 0.1513221E+00 |GRAD(Rho)| 0.1282539E-13 GRAD(Rho)x -0.9821408E-14 GRAD(Rho)y -0.7246536E-14 GRAD(Rho)z -0.3939340E-14 Laplacian 0.5937993E+00 (-1/4)Del**2(Rho)) -0.1484498E+00 Diamond 0.1220360E+01 Metallicity 0.4986672E+01 Ellipticity 0.4933536E-01 Gb(Abramov) 0.2223450E+00 Vb(Abramov) -0.2962402E+00 Hb(Abramov) -0.7389516E-01 Ex_ueg -0.5955546E-01 Ec_ueg -0.8528202E-02 Delta_ex -0.6394833E-01 Delta_ec 0.1510836E-01 Delta_et -0.2015421E+00 Pxc 0.6983355E+01 Qxc -0.4232644E+01 3,-1 155 3 -1 2.032951 -0.846226 2.964643 Rho 0.1213358E+00 |GRAD(Rho)| 0.2393860E-14 GRAD(Rho)x 0.1472265E-14 GRAD(Rho)y 0.1658077E-14 GRAD(Rho)z -0.9020969E-15 Laplacian 0.4719401E+00 (-1/4)Del**2(Rho)) -0.1179850E+00 Diamond 0.7370207E+00 Metallicity 0.4342182E+01 Ellipticity 0.3463407E-01 Gb(Abramov) 0.1640421E+00 Vb(Abramov) -0.2100992E+00 Hb(Abramov) -0.4605707E-01 Ex_ueg -0.4436466E-01 Ec_ueg -0.6634726E-02 Delta_ex -0.4808711E-01 Delta_ec 0.1250266E-01 Delta_et -0.1608399E+00 Pxc 0.6686735E+01 Qxc -0.3846150E+01 3,-1 156 3 +1 1.680016 -0.555898 -0.515405 Rho 0.8531592E-02 |GRAD(Rho)| 0.1098573E-12 GRAD(Rho)x 0.7869714E-13 GRAD(Rho)y -0.7223707E-13 GRAD(Rho)z -0.2563578E-13 Laplacian 0.3286178E-01 (-1/4)Del**2(Rho)) -0.8215446E-02 Diamond 0.8889107E-03 Metallicity 0.7469740E+00 Ellipticity -0.1482492E+01 Gb(Abramov) 0.6499751E-02 Vb(Abramov) -0.4784057E-02 Hb(Abramov) 0.1715695E-02 Ex_ueg -0.1287533E-02 Ec_ueg -0.3019204E-03 Delta_ex -0.1506879E-02 Delta_ec 0.4778727E-03 Delta_et -0.3246951E-02 Pxc 0.4264480E+01 Qxc -0.3153307E+01 3,+1 157 3 +1 1.318580 -2.182859 1.141058 Rho 0.2812134E-01 |GRAD(Rho)| 0.1944937E-15 GRAD(Rho)x 0.1499927E-15 GRAD(Rho)y -0.5432088E-16 GRAD(Rho)z -0.1112620E-15 Laplacian 0.1148277E+00 (-1/4)Del**2(Rho)) -0.2870694E-01 Diamond 0.1875887E-01 Metallicity 0.1560605E+01 Ellipticity -0.5785832E+01 Gb(Abramov) 0.2660466E-01 Vb(Abramov) -0.2450238E-01 Hb(Abramov) 0.2102279E-02 Ex_ueg -0.6315869E-02 Ec_ueg -0.1247117E-02 Delta_ex -0.7472540E-02 Delta_ec 0.2130680E-02 Delta_et -0.1932544E-01 Pxc 0.5064374E+01 Qxc -0.3507114E+01 3,+1 158 3 +1 1.385679 1.087703 -2.167216 Rho 0.2687075E-01 |GRAD(Rho)| 0.4362242E-13 GRAD(Rho)x 0.3153840E-13 GRAD(Rho)y -0.1741061E-13 GRAD(Rho)z -0.2459910E-13 Laplacian 0.1081557E+00 (-1/4)Del**2(Rho)) -0.2703893E-01 Diamond 0.1625400E-01 Metallicity 0.1535901E+01 Ellipticity -0.4562082E+01 Gb(Abramov) 0.2494748E-01 Vb(Abramov) -0.2285602E-01 Hb(Abramov) 0.2091458E-02 Ex_ueg -0.5944173E-02 Ec_ueg -0.1183357E-02 Delta_ex -0.6920119E-02 Delta_ec 0.1946375E-02 Delta_et -0.1746527E-01 Pxc 0.5023144E+01 Qxc -0.3555388E+01 3,+1 159 3 +1 1.047113 2.161711 -1.420236 Rho 0.2737201E-01 |GRAD(Rho)| 0.3715404E-16 GRAD(Rho)x -0.1858027E-16 GRAD(Rho)y -0.3197231E-16 GRAD(Rho)z 0.3601083E-17 Laplacian 0.1092230E+00 (-1/4)Del**2(Rho)) -0.2730574E-01 Diamond 0.1519548E-01 Metallicity 0.1568473E+01 Ellipticity -0.2889004E+01 Gb(Abramov) 0.2534188E-01 Vb(Abramov) -0.2337802E-01 Hb(Abramov) 0.1963862E-02 Ex_ueg -0.6092478E-02 Ec_ueg -0.1208867E-02 Delta_ex -0.6864861E-02 Delta_ec 0.1683495E-02 Delta_et -0.1521914E-01 Pxc 0.5039825E+01 Qxc -0.4077744E+01 3,+1 160 3 -1 1.705522 -1.775889 0.545604 Rho 0.4237149E-01 |GRAD(Rho)| 0.2877970E-15 GRAD(Rho)x -0.1619984E-15 GRAD(Rho)y 0.2122442E-15 GRAD(Rho)z 0.1074059E-15 Laplacian 0.1785182E+00 (-1/4)Del**2(Rho)) -0.4462954E-01 Diamond 0.7374572E-01 Metallicity 0.1987866E+01 Ellipticity 0.1211721E-01 Gb(Abramov) 0.4453928E-01 Vb(Abramov) -0.4444902E-01 Hb(Abramov) 0.9025686E-04 Ex_ueg -0.1090980E-01 Ec_ueg -0.1997754E-02 Delta_ex -0.1417788E-01 Delta_ec 0.5468251E-02 Delta_et -0.5521429E-01 Pxc 0.5461034E+01 Qxc -0.2592763E+01 3,-1 161 3 -1 1.766864 2.797953 0.567897 Rho 0.1464849E+00 |GRAD(Rho)| 0.1153026E-15 GRAD(Rho)x -0.7990570E-16 GRAD(Rho)y 0.2777590E-16 GRAD(Rho)z 0.7834716E-16 Laplacian 0.6188254E+00 (-1/4)Del**2(Rho)) -0.1547063E+00 Diamond 0.1216701E+01 Metallicity 0.4532797E+01 Ellipticity 0.1167870E-01 Gb(Abramov) 0.2200130E+00 Vb(Abramov) -0.2853196E+00 Hb(Abramov) -0.6530662E-01 Ex_ueg -0.5703070E-01 Ec_ueg -0.8218875E-02 Delta_ex -0.6604843E-01 Delta_ec 0.1575430E-01 Delta_et -0.2089328E+00 Pxc 0.6938991E+01 Qxc -0.4192407E+01 3,-1 162 3 -1 3.142675 3.251017 0.053456 Rho 0.2517356E+00 |GRAD(Rho)| 0.1209162E-14 GRAD(Rho)x -0.7908171E-15 GRAD(Rho)y -0.8337515E-15 GRAD(Rho)z -0.3762182E-15 Laplacian 0.9206809E+00 (-1/4)Del**2(Rho)) -0.2301702E+00 Diamond 0.3432310E+01 Metallicity 0.7511817E+01 Ellipticity 0.1519911E-02 Gb(Abramov) 0.4416129E+00 Vb(Abramov) -0.6530556E+00 Hb(Abramov) -0.2114427E+00 Ex_ueg -0.1173936E+00 Ec_ueg -0.1525413E-01 Delta_ex -0.1125540E+00 Delta_ec 0.1990224E-01 Delta_et -0.2753523E+00 Pxc 0.7695859E+01 Qxc -0.5655345E+01 3,-1 163 3 -1 1.950758 3.020891 -0.870712 Rho 0.1545670E+00 |GRAD(Rho)| 0.2213453E-15 GRAD(Rho)x 0.1782835E-15 GRAD(Rho)y -0.6185373E-16 GRAD(Rho)z 0.1156844E-15 Laplacian 0.6083487E+00 (-1/4)Del**2(Rho)) -0.1520872E+00 Diamond 0.1281388E+01 Metallicity 0.5042608E+01 Ellipticity 0.5178359E-01 Gb(Abramov) 0.2292108E+00 Vb(Abramov) -0.3063344E+00 Hb(Abramov) -0.7712362E-01 Ex_ueg -0.6126430E-01 Ec_ueg -0.8736506E-02 Delta_ex -0.6584739E-01 Delta_ec 0.1537739E-01 Delta_et -0.2056811E+00 Pxc 0.7012448E+01 Qxc -0.4282092E+01 3,-1 164 3 -1 1.846497 -0.553618 -2.743955 Rho 0.1226700E+00 |GRAD(Rho)| 0.1664225E-13 GRAD(Rho)x -0.1093282E-15 GRAD(Rho)y -0.1613212E-13 GRAD(Rho)z 0.4087449E-14 Laplacian 0.5125004E+00 (-1/4)Del**2(Rho)) -0.1281251E+00 Diamond 0.8076839E+00 Metallicity 0.4072080E+01 Ellipticity 0.1780271E-02 Gb(Abramov) 0.1723727E+00 Vb(Abramov) -0.2166203E+00 Hb(Abramov) -0.4424758E-01 Ex_ueg -0.4501628E-01 Ec_ueg -0.6717713E-02 Delta_ex -0.5231420E-01 Delta_ec 0.1346620E-01 Delta_et -0.1734274E+00 Pxc 0.6701132E+01 Qxc -0.3884853E+01 3,-1 165 3 -1 1.755714 -0.540258 1.714850 Rho 0.4364150E-01 |GRAD(Rho)| 0.6104228E-16 GRAD(Rho)x -0.5670293E-16 GRAD(Rho)y 0.1454006E-16 GRAD(Rho)z -0.1730679E-16 Laplacian 0.1841822E+00 (-1/4)Del**2(Rho)) -0.4604555E-01 Diamond 0.7931649E-01 Metallicity 0.2023943E+01 Ellipticity 0.8060001E-02 Gb(Abramov) 0.4622930E-01 Vb(Abramov) -0.4641304E-01 Hb(Abramov) -0.1837470E-03 Ex_ueg -0.1134797E-01 Ec_ueg -0.2066538E-02 Delta_ex -0.1474102E-01 Delta_ec 0.5651243E-02 Delta_et -0.5751855E-01 Pxc 0.5491294E+01 Qxc -0.2608457E+01 3,-1 166 3 +1 2.895520 0.155664 -0.159728 Rho 0.5310047E-02 |GRAD(Rho)| 0.5504018E-14 GRAD(Rho)x 0.1457854E-15 GRAD(Rho)y 0.3695674E-14 GRAD(Rho)z -0.4076145E-14 Laplacian 0.2184652E-01 (-1/4)Del**2(Rho)) -0.5461631E-02 Diamond 0.5484419E-03 Metallicity 0.5097940E+00 Ellipticity -0.3340984E+01 Gb(Abramov) 0.4105138E-02 Vb(Abramov) -0.2748646E-02 Hb(Abramov) 0.1356493E-02 Ex_ueg -0.6841996E-03 Ec_ueg -0.1602797E-03 Delta_ex -0.1095546E-02 Delta_ec 0.6818952E-03 Delta_et -0.3773161E-02 Pxc 0.4268786E+01 Qxc -0.1606619E+01 3,+1 167 3 -1 2.036138 0.832974 -2.960203 Rho 0.1128263E+00 |GRAD(Rho)| 0.1123947E-13 GRAD(Rho)x 0.6447256E-14 GRAD(Rho)y -0.8205256E-14 GRAD(Rho)z 0.4175198E-14 Laplacian 0.4376003E+00 (-1/4)Del**2(Rho)) -0.1094001E+00 Diamond 0.6271666E+00 Metallicity 0.4148452E+01 Ellipticity 0.2711384E-01 Gb(Abramov) 0.1485735E+00 Vb(Abramov) -0.1877470E+00 Hb(Abramov) -0.3917347E-01 Ex_ueg -0.4026541E-01 Ec_ueg -0.6108368E-02 Delta_ex -0.4383746E-01 Delta_ec 0.1181681E-01 Delta_et -0.1501198E+00 Pxc 0.6591845E+01 Qxc -0.3709754E+01 3,-1 168 3 +1 2.181793 1.112749 -1.335800 Rho 0.2845109E-01 |GRAD(Rho)| 0.1681515E-16 GRAD(Rho)x -0.9197251E-17 GRAD(Rho)y 0.1269001E-16 GRAD(Rho)z 0.6092906E-17 Laplacian 0.1159150E+00 (-1/4)Del**2(Rho)) -0.2897876E-01 Diamond 0.1871759E-01 Metallicity 0.1576297E+01 Ellipticity -0.4675426E+01 Gb(Abramov) 0.2693236E-01 Vb(Abramov) -0.2488597E-01 Hb(Abramov) 0.2046398E-02 Ex_ueg -0.6414806E-02 Ec_ueg -0.1263993E-02 Delta_ex -0.7518698E-02 Delta_ec 0.2065183E-02 Delta_et -0.1879595E-01 Pxc 0.5075034E+01 Qxc -0.3640692E+01 3,+1 169 3 -1 1.968854 -3.030815 0.873123 Rho 0.1459159E+00 |GRAD(Rho)| 0.3448554E-15 GRAD(Rho)x 0.1686883E-15 GRAD(Rho)y 0.1142614E-15 GRAD(Rho)z 0.2782334E-15 Laplacian 0.5717086E+00 (-1/4)Del**2(Rho)) -0.1429272E+00 Diamond 0.1110598E+01 Metallicity 0.4874641E+01 Ellipticity 0.6428380E-01 Gb(Abramov) 0.2114046E+00 Vb(Abramov) -0.2798819E+00 Hb(Abramov) -0.6847739E-01 Ex_ueg -0.5673553E-01 Ec_ueg -0.8182586E-02 Delta_ex -0.6087641E-01 Delta_ec 0.1441705E-01 Delta_et -0.1907550E+00 Pxc 0.6933692E+01 Qxc -0.4222530E+01 3,-1 170 3 -1 1.789648 -2.806616 -0.567019 Rho 0.1406738E+00 |GRAD(Rho)| 0.2978602E-12 GRAD(Rho)x 0.2165691E-12 GRAD(Rho)y 0.1575576E-13 GRAD(Rho)z 0.2038879E-12 Laplacian 0.5932781E+00 (-1/4)Del**2(Rho)) -0.1483195E+00 Diamond 0.1093916E+01 Metallicity 0.4419539E+01 Ellipticity 0.2210462E-01 Gb(Abramov) 0.2081303E+00 Vb(Abramov) -0.2679411E+00 Hb(Abramov) -0.5981081E-01 Ex_ueg -0.5403429E-01 Ec_ueg -0.7849203E-02 Delta_ex -0.6251152E-01 Delta_ec 0.1492164E-01 Delta_et -0.1960234E+00 Pxc 0.6884047E+01 Qxc -0.4189320E+01 3,-1 171 3 -1 2.745777 1.836445 0.544218 Rho 0.1307016E+00 |GRAD(Rho)| 0.1866148E-12 GRAD(Rho)x 0.4513994E-13 GRAD(Rho)y -0.1365745E-12 GRAD(Rho)z 0.1188903E-12 Laplacian 0.5471791E+00 (-1/4)Del**2(Rho)) -0.1367948E+00 Diamond 0.9428795E+00 Metallicity 0.4239214E+01 Ellipticity 0.1130672E-01 Gb(Abramov) 0.1878469E+00 Vb(Abramov) -0.2388990E+00 Hb(Abramov) -0.5105212E-01 Ex_ueg -0.4898838E-01 Ec_ueg -0.7219838E-02 Delta_ex -0.5686072E-01 Delta_ec 0.1442323E-01 Delta_et -0.1881870E+00 Pxc 0.6785246E+01 Qxc -0.3942301E+01 3,-1 172 3 -1 2.815353 -0.581119 -1.774952 Rho 0.1491395E+00 |GRAD(Rho)| 0.1405006E-13 GRAD(Rho)x -0.1194754E-14 GRAD(Rho)y 0.9325968E-14 GRAD(Rho)z -0.1044045E-13 Laplacian 0.6242611E+00 (-1/4)Del**2(Rho)) -0.1560653E+00 Diamond 0.1232337E+01 Metallicity 0.4629863E+01 Ellipticity 0.2742714E-01 Gb(Abramov) 0.2244703E+00 Vb(Abramov) -0.2928754E+00 Hb(Abramov) -0.6840505E-01 Ex_ueg -0.5841290E-01 Ec_ueg -0.8388454E-02 Delta_ex -0.6670398E-01 Delta_ec 0.1543115E-01 Delta_et -0.2042696E+00 Pxc 0.6963488E+01 Qxc -0.4322683E+01 3,-1 173 3 -1 3.020761 -0.864411 1.961517 Rho 0.1418843E+00 |GRAD(Rho)| 0.1611380E-15 GRAD(Rho)x -0.1563826E-15 GRAD(Rho)y 0.1538212E-16 GRAD(Rho)z 0.3568380E-16 Laplacian 0.5531999E+00 (-1/4)Del**2(Rho)) -0.1383000E+00 Diamond 0.1040915E+01 Metallicity 0.4807893E+01 Ellipticity 0.6078705E-01 Gb(Abramov) 0.2030219E+00 Vb(Abramov) -0.2677438E+00 Hb(Abramov) -0.6472192E-01 Ex_ueg -0.5465510E-01 Ec_ueg -0.7926031E-02 Delta_ex -0.5852214E-01 Delta_ec 0.1408236E-01 Delta_et -0.1856571E+00 Pxc 0.6895645E+01 Qxc -0.4155704E+01 3,-1 174 3 -1 3.148528 -3.267952 -0.051982 Rho 0.2418196E+00 |GRAD(Rho)| 0.1970816E-13 GRAD(Rho)x -0.1441447E-13 GRAD(Rho)y 0.1088555E-13 GRAD(Rho)z -0.7882855E-14 Laplacian 0.8631893E+00 (-1/4)Del**2(Rho)) -0.2157973E+00 Diamond 0.3095890E+01 Metallicity 0.7493069E+01 Ellipticity 0.1445208E-02 Gb(Abramov) 0.4133623E+00 Vb(Abramov) -0.6109272E+00 Hb(Abramov) -0.1975649E+00 Ex_ueg -0.1112689E+00 Ec_ueg -0.1456499E-01 Delta_ex -0.1045767E+00 Delta_ec 0.1916843E-01 Delta_et -0.2662180E+00 Pxc 0.7639477E+01 Qxc -0.5455675E+01 3,-1 175 3 -1 2.796848 0.567392 1.777721 Rho 0.1394707E+00 |GRAD(Rho)| 0.3182948E-12 GRAD(Rho)x -0.2793064E-13 GRAD(Rho)y -0.2102055E-12 GRAD(Rho)z 0.2373713E-12 Laplacian 0.5874974E+00 (-1/4)Del**2(Rho)) -0.1468743E+00 Diamond 0.1072218E+01 Metallicity 0.4399589E+01 Ellipticity 0.1907842E-01 Gb(Abramov) 0.2056140E+00 Vb(Abramov) -0.2643537E+00 Hb(Abramov) -0.5873968E-01 Ex_ueg -0.5341899E-01 Ec_ueg -0.7772932E-02 Delta_ex -0.6177328E-01 Delta_ec 0.1480914E-01 Delta_et -0.1943071E+00 Pxc 0.6872437E+01 Qxc -0.4171294E+01 3,-1 176 3 -1 3.019277 0.859090 -1.960289 Rho 0.1371746E+00 |GRAD(Rho)| 0.2825030E-15 GRAD(Rho)x 0.1711684E-16 GRAD(Rho)y 0.1007630E-15 GRAD(Rho)z 0.2633663E-15 Laplacian 0.5357996E+00 (-1/4)Del**2(Rho)) -0.1339499E+00 Diamond 0.9678791E+00 Metallicity 0.4692455E+01 Ellipticity 0.5620510E-01 Gb(Abramov) 0.1940589E+00 Vb(Abramov) -0.2541679E+00 Hb(Abramov) -0.6010901E-01 Ex_ueg -0.5224963E-01 Ec_ueg -0.7627627E-02 Delta_ex -0.5621393E-01 Delta_ec 0.1374789E-01 Delta_et -0.1803299E+00 Pxc 0.6850050E+01 Qxc -0.4088914E+01 3,-1 177 3 -1 2.967011 2.027903 -0.853439 Rho 0.1348356E+00 |GRAD(Rho)| 0.1661524E-15 GRAD(Rho)x 0.1650969E-15 GRAD(Rho)y 0.1437923E-16 GRAD(Rho)z 0.1195333E-16 Laplacian 0.5281971E+00 (-1/4)Del**2(Rho)) -0.1320493E+00 Diamond 0.9483012E+00 Metallicity 0.4625493E+01 Ellipticity 0.2964325E-01 Gb(Abramov) 0.1898317E+00 Vb(Abramov) -0.2476141E+00 Hb(Abramov) -0.5778239E-01 Ex_ueg -0.5106512E-01 Ec_ueg -0.7479958E-02 Delta_ex -0.5534199E-01 Delta_ec 0.1388975E-01 Delta_et -0.1822700E+00 Pxc 0.6826926E+01 Qxc -0.3984378E+01 3,-1 178 3 -1 2.971320 -2.039498 0.842964 Rho 0.1217711E+00 |GRAD(Rho)| 0.1688104E-14 GRAD(Rho)x 0.6946551E-15 GRAD(Rho)y 0.8232889E-15 GRAD(Rho)z 0.1299748E-14 Laplacian 0.4714013E+00 (-1/4)Del**2(Rho)) -0.1178503E+00 Diamond 0.7402200E+00 Metallicity 0.4373168E+01 Ellipticity 0.3501086E-01 Gb(Abramov) 0.1644634E+00 Vb(Abramov) -0.2110765E+00 Hb(Abramov) -0.4661311E-01 Ex_ueg -0.4457699E-01 Ec_ueg -0.6661788E-02 Delta_ex -0.4808476E-01 Delta_ec 0.1249817E-01 Delta_et -0.1609150E+00 Pxc 0.6691446E+01 Qxc -0.3847343E+01 3,-1 179 3 -1 -2.755194 1.832844 -0.555187 Rho 0.1317938E+00 |GRAD(Rho)| 0.2655310E-15 GRAD(Rho)x -0.4990040E-16 GRAD(Rho)y 0.1289930E-15 GRAD(Rho)z -0.2266660E-15 Laplacian 0.5511536E+00 (-1/4)Del**2(Rho)) -0.1377884E+00 Diamond 0.9602777E+00 Metallicity 0.4267421E+01 Ellipticity 0.1300874E-01 Gb(Abramov) 0.1898591E+00 Vb(Abramov) -0.2419298E+00 Hb(Abramov) -0.5207072E-01 Ex_ueg -0.4953495E-01 Ec_ueg -0.7288452E-02 Delta_ex -0.5740070E-01 Delta_ec 0.1452039E-01 Delta_et -0.1897503E+00 Pxc 0.6796361E+01 Qxc -0.3953109E+01 3,-1 180 3 -1 -2.968131 2.016643 0.838746 Rho 0.1271498E+00 |GRAD(Rho)| 0.1313871E-15 GRAD(Rho)x -0.9425105E-16 GRAD(Rho)y -0.5753048E-17 GRAD(Rho)z -0.9135759E-16 Laplacian 0.4990614E+00 (-1/4)Del**2(Rho)) -0.1247654E+00 Diamond 0.8342290E+00 Metallicity 0.4439345E+01 Ellipticity 0.2167794E-01 Gb(Abramov) 0.1754896E+00 Vb(Abramov) -0.2262139E+00 Hb(Abramov) -0.5072428E-01 Ex_ueg -0.4722147E-01 Ec_ueg -0.6997250E-02 Delta_ex -0.5154610E-01 Delta_ec 0.1329165E-01 Delta_et -0.1727284E+00 Pxc 0.6748575E+01 Qxc -0.3878082E+01 3,-1 181 3 -1 0.054844 -3.142474 -3.250889 Rho 0.2520499E+00 |GRAD(Rho)| 0.6212809E-14 GRAD(Rho)x -0.1281337E-14 GRAD(Rho)y 0.3957121E-14 GRAD(Rho)z 0.4615015E-14 Laplacian 0.9190209E+00 (-1/4)Del**2(Rho)) -0.2297552E+00 Diamond 0.3433126E+01 Metallicity 0.7541054E+01 Ellipticity 0.1879580E-02 Gb(Abramov) 0.4419363E+00 Vb(Abramov) -0.6541173E+00 Hb(Abramov) -0.2121810E+00 Ex_ueg -0.1175891E+00 Ec_ueg -0.1527606E-01 Delta_ex -0.1123972E+00 Delta_ec 0.1987529E-01 Delta_et -0.2750633E+00 Pxc 0.7697606E+01 Qxc -0.5655124E+01 3,-1 182 3 -1 0.469629 -0.476465 0.479946 Rho 0.1876823E+00 |GRAD(Rho)| 0.8239961E-14 GRAD(Rho)x -0.4666406E-14 GRAD(Rho)y 0.4867634E-14 GRAD(Rho)z -0.4735795E-14 Laplacian 0.5200576E+00 (-1/4)Del**2(Rho)) -0.1300144E+00 Diamond 0.1404341E+01 Metallicity 0.8152057E+01 Ellipticity 0.2847317E-02 Gb(Abramov) 0.2633237E+00 Vb(Abramov) -0.3966331E+00 Hb(Abramov) -0.1333093E+00 Ex_ueg -0.7936265E-01 Ec_ueg -0.1089797E-01 Delta_ex -0.5924441E-01 Delta_ec 0.1278439E-01 Delta_et -0.1758059E+00 Pxc 0.7282333E+01 Qxc -0.4634122E+01 3,-1 183 3 -1 2.763489 -1.858062 -0.541188 Rho 0.1140177E+00 |GRAD(Rho)| 0.2909406E-15 GRAD(Rho)x -0.2646131E-16 GRAD(Rho)y -0.2594360E-15 GRAD(Rho)z 0.1289930E-15 Laplacian 0.4723308E+00 (-1/4)Del**2(Rho)) -0.1180827E+00 Diamond 0.6832027E+00 Metallicity 0.3911299E+01 Ellipticity 0.7136289E-02 Gb(Abramov) 0.1556979E+00 Vb(Abramov) -0.1933131E+00 Hb(Abramov) -0.3761522E-01 Ex_ueg -0.4083335E-01 Ec_ueg -0.6181754E-02 Delta_ex -0.4740084E-01 Delta_ec 0.1266358E-01 Delta_et -0.1610914E+00 Pxc 0.6605462E+01 Qxc -0.3743084E+01 3,-1 184 3 -1 3.255396 -0.077630 -3.138147 Rho 0.2412412E+00 |GRAD(Rho)| 0.4580977E-15 GRAD(Rho)x -0.3583288E-15 GRAD(Rho)y 0.2133168E-16 GRAD(Rho)z -0.2846031E-15 Laplacian 0.8626967E+00 (-1/4)Del**2(Rho)) -0.2156742E+00 Diamond 0.3083914E+01 Metallicity 0.7467483E+01 Ellipticity 0.1674869E-02 Gb(Abramov) 0.4122067E+00 Vb(Abramov) -0.6087392E+00 Hb(Abramov) -0.1965325E+00 Ex_ueg -0.1109142E+00 Ec_ueg -0.1452496E-01 Delta_ex -0.1044448E+00 Delta_ec 0.1915878E-01 Delta_et -0.2660070E+00 Pxc 0.7636111E+01 Qxc -0.5451539E+01 3,-1 185 3 -1 3.252064 0.063026 3.141650 Rho 0.2414613E+00 |GRAD(Rho)| 0.6092636E-10 GRAD(Rho)x 0.4233762E-10 GRAD(Rho)y 0.1159701E-10 GRAD(Rho)z 0.4224994E-10 Laplacian 0.8636189E+00 (-1/4)Del**2(Rho)) -0.2159047E+00 Diamond 0.3090361E+01 Metallicity 0.7470855E+01 Ellipticity 0.4493002E-03 Gb(Abramov) 0.4127686E+00 Vb(Abramov) -0.6096325E+00 Hb(Abramov) -0.1968639E+00 Ex_ueg -0.1110491E+00 Ec_ueg -0.1454019E-01 Delta_ex -0.1045801E+00 Delta_ec 0.1917182E-01 Delta_et -0.2661867E+00 Pxc 0.7637392E+01 Qxc -0.5454886E+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 82 125 117 132 154 144 133 116 153 146 114 107 181 149 131 118 148 152 139 129 147 151 111 109 140 160 183 170 178 169 174 57 171 161 177 163 162 108 179 100 180 102 68 58 82 96 81 63 78 55 74 89 64 87 73 105 71 88 70 94 72 165 175 112 173 155 185 119 172 164 176 167 184 182 121 142 126 69 143 120 130 99 113 1 1 1 1 1 1 2 2 2 2 2 2 3 3 3 3 3 3 4 4 4 4 4 4 5 5 5 5 5 5 6 6 6 6 6 6 7 7 7 7 7 7 8 8 8 8 8 8 9 9 9 9 9 9 10 10 10 10 10 10 11 11 11 11 11 11 12 12 12 12 12 12 13 14 15 16 17 18 21 22 25 26 13 24 26 33 39 41 14 21 28 36 37 42 15 23 25 34 40 43 16 22 27 35 38 44 13 18 28 29 39 45 15 20 27 31 40 46 16 19 25 32 38 47 14 17 26 30 37 48 14 19 23 30 36 49 16 17 24 32 35 50 13 20 22 29 33 51 15 18 21 31 34 52 53 53 53 53 19 20 23 24 27 28 2.367545 1.895766 1.960149 1.921007 1.993905 1.725936 2.382239 1.912989 1.971280 1.919388 1.961012 1.725248 2.421751 1.910575 2.002018 1.900454 1.993712 1.714732 2.382188 1.902339 1.953321 1.935250 1.974942 1.725310 2.416311 1.998917 1.912327 1.985414 1.910307 1.713939 2.370288 1.967006 1.920522 1.967067 1.912093 1.725650 2.380153 1.963595 1.890297 1.990223 1.925499 1.725736 2.383639 1.941201 1.916289 1.968889 1.937749 1.724893 2.419733 1.916262 1.971448 1.931315 1.983033 1.713585 2.419726 1.937241 1.987546 1.915286 1.962428 1.713460 2.403884 1.915989 1.983377 1.922461 1.986196 1.714498 2.403842 1.890203 1.968586 1.935591 2.016355 1.714874 1.694089 1.697274 1.693226 1.697792 3.264723 3.264225 3.268397 3.256185 3.262504 3.262802 2.369298 1.896216 1.960506 1.921670 1.994572 1.725941 2.383993 1.913468 1.971668 1.920036 1.961681 1.725250 2.423319 1.911179 2.002628 1.901207 1.994603 1.714748 2.383903 1.902803 1.953682 1.935927 1.975620 1.725316 2.417880 1.999478 1.912878 1.986248 1.911079 1.713954 2.372084 1.967392 1.920955 1.967699 1.912742 1.725655 2.381884 1.963955 1.890743 1.990891 1.926163 1.725741 2.385382 1.941627 1.916716 1.969551 1.938441 1.724896 2.421290 1.916836 1.972013 1.932139 1.983912 1.713597 2.421285 1.937810 1.988124 1.916087 1.963260 1.713476 2.405671 1.916534 1.983940 1.923243 1.987069 1.714511 2.405674 1.890774 1.969086 1.936424 2.017220 1.714887 1.694091 1.697278 1.693230 1.697794 3.273344 3.274943 3.278196 3.265062 3.275963 3.272650 30 27 27 26 28 23 30 25 25 28 28 21 27 28 29 24 26 23 31 26 26 27 27 24 27 23 23 23 23 21 32 23 25 23 25 22 30 23 28 23 28 23 30 27 27 28 27 22 30 27 27 27 28 23 31 27 27 27 29 23 27 23 28 23 25 21 30 23 25 23 25 21 21 22 25 22 35 35 35 35 35 35 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 W W Mo W Mo W W W Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.4938 2.5028 2.3887 2.5102 2.3893 2.4913 2.5020 2.5101 2.3957 2.3960 2.3873 2.3860 -1.1372 -1.1404 -1.1366 -1.1397 -0.9182 -0.8918 -0.9125 -0.9154 -0.9209 -0.9214 -0.8955 -0.9212 -0.9209 -0.9490 -0.9492 -0.9137 -0.8794 -0.9044 -0.9041 -0.9007 -0.9101 -0.8779 -0.9099 -0.9109 -0.9432 -0.9446 -0.8985 -0.9098 -0.7390 -0.7374 -0.6602 -0.7389 -0.6574 -0.7379 -0.7395 -0.7374 -0.6572 -0.6567 -0.6583 -0.6597 2.5036 2.0862 2.0812 1.9243 2.0810 1.9241 2.0873 2.0827 2.0836 1.9391 1.9447 1.9314 1.9261 1.9377 1.9365 1.9383 1.9363 1.9388 1.9448 1.9407 1.9401 1.9392 1.9384 1.9432 1.9384 1.9392 1.9355 1.9351 1.9408 1.9527 1.9511 1.9523 1.9517 1.9512 1.9535 1.9498 1.9497 1.9491 1.9492 1.9539 1.9511 1.9746 1.9745 1.9859 1.9746 1.9862 1.9746 1.9743 1.9749 1.9865 1.9865 1.9860 1.9859 0.8037 6.0884 6.0838 6.0582 6.0837 6.0580 6.0894 6.0833 6.0840 6.0478 6.0488 6.0594 6.0594 5.1600 5.1644 5.1587 5.1639 4.9514 4.9205 4.9437 4.9475 4.9534 4.9547 4.9260 4.9543 4.9532 4.9832 4.9838 4.9451 4.8983 4.9228 4.9212 4.9187 4.9282 4.8960 4.9294 4.9303 4.9614 4.9626 4.9140 4.9279 4.7263 4.7247 4.6381 4.7261 4.6348 4.7251 4.7271 4.7243 4.6343 4.6339 4.6360 4.6377 1.1425 3.3027 3.3034 3.6288 3.2962 3.6286 3.3030 3.3031 3.2935 3.6174 3.6106 3.6218 3.6285 0.0395 0.0395 0.0396 0.0395 0.0280 0.0266 0.0281 0.0279 0.0283 0.0283 0.0263 0.0285 0.0285 0.0303 0.0303 0.0279 0.0284 0.0305 0.0305 0.0304 0.0306 0.0285 0.0307 0.0308 0.0327 0.0327 0.0307 0.0308 0.0381 0.0382 0.0362 0.0382 0.0364 0.0382 0.0381 0.0383 0.0364 0.0364 0.0362 0.0362 10.5502 14.0289 14.0289 0.0000 14.0289 0.0000 14.0289 14.0289 14.0289 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 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 W W Mo W Mo W W W Mo Mo Mo Mo O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O As 2.519709 2.519698 3.178764 2.520424 3.178967 2.520616 2.517981 2.521296 3.180941 3.182018 3.181151 3.179808 -1.177217 -1.138602 -1.175758 -1.138718 -1.055392 -1.160602 -1.056165 -1.059913 -1.045634 -1.044004 -1.165575 -1.040908 -1.036241 -0.939916 -0.939664 -1.057351 -1.122708 -1.021799 -1.019297 -1.024308 -1.007583 -1.120404 -1.015905 -1.009738 -0.908550 -0.909223 -1.022105 -1.006081 -0.761795 -0.760592 -0.924874 -0.761975 -0.921316 -0.760614 -0.762887 -0.760286 -0.922435 -0.922877 -0.923889 -0.924300 2.325832 1.962856 1.964176 2.383792 1.957949 2.385889 1.962968 1.964028 1.957485 2.381251 2.375228 2.378710 2.384852 -0.874104 -0.823806 -0.875526 -0.821160 -0.802751 -0.906217 -0.807136 -0.807394 -0.801725 -0.804115 -0.905910 -0.803861 -0.802517 -0.703782 -0.701193 -0.806960 -0.902750 -0.822425 -0.816030 -0.825246 -0.818564 -0.904868 -0.820266 -0.816418 -0.733764 -0.736577 -0.823172 -0.819648 -0.633060 -0.634421 -0.673838 -0.638677 -0.668757 -0.632535 -0.636120 -0.637316 -0.675673 -0.679195 -0.676093 -0.672952 1.687338 2.055708 2.058762 2.461959 2.052355 2.463275 2.056302 2.058012 2.052595 2.460417 2.453777 2.456288 2.461303 -0.891223 -0.855260 -0.891721 -0.853898 -0.884032 -0.978098 -0.885683 -0.886549 -0.880078 -0.880036 -0.981950 -0.879416 -0.880490 -0.784293 -0.783018 -0.889772 -0.936541 -0.856453 -0.854890 -0.855725 -0.857556 -0.937705 -0.853874 -0.846721 -0.771277 -0.774110 -0.861293 -0.858180 -0.595171 -0.600307 -0.634597 -0.604107 -0.627748 -0.594482 -0.601730 -0.601928 -0.637596 -0.641836 -0.635880 -0.631992 1.666462 0.74256636 -0.41940942 -1.03132391 1.33825935 5.32605871 -4.31110542 0.08661762 -8.17426646 -3.22352763 2.84820776 -380.6688 413.4552 -112.0341 -360.6617 -10.3125 -450.2219 Jun10-2024 18:50:41 Nodes: 1 Procs: 1 Jun10-2024 18:50:45 Nodes: 1 Procs: 1 0 Jun10-2024 18:50:49 Nodes: 1 Procs: 1 Jun10-2024 18:50:52 Nodes: 1 Procs: 1 Molybdenum (TZP, 3d frozen) 0 Jun10-2024 18:50:55 Nodes: 1 Procs: 1 Jun10-2024 18:50:57 Nodes: 1 Procs: 1 Oxygen (TZP, 1s frozen) 0 Jun10-2024 18:50:59 Nodes: 1 Procs: 1 Jun10-2024 18:51:02 Nodes: 1 Procs: 1 Tungsten (TZP, 4d frozen) 0 Jun10-2024 18:51:08 Nodes: 1 Procs: 5 *** (NO TITLE) *** -3 -16.47184994 -16.53844968 -16.54228720 -16.54393889 -16.54444264 -16.54490145 -16.54498296 -16.54506876 -16.54510541 -16.54516662 -16.54521021 -16.54524564 -16.54529629 -16.54533910 -16.54535221 GEOMETRY CONVERGED